| 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 | 59 | Low | 89.4 | Confident | 164 Ų | 164 | 34.5 Ų | 34.5 | 81% | 0.808 | 18% | 0.18 | S | C | * | . | 0 | 154 | 0 | -53.4 | -167.8 | -159.6 | 0 | 0 | 107.8 | V354 C355 R356 | M1-V354 HydrophobicContact CB-CG1 3.71Å; M1-V354 HydrophobicContact CG-CG1 4.41Å; M1-V354 HydrophobicContact SD-CG1 3.98Å; M1-C355 CarbonylContact C-O 2.98Å; M1-C355 VanDerWaalsContact CA-O 3.26Å; M1-C355 WeakPolarHBondContact CA-O 3.47Å; M1-R356 HydrophobicContact CG-CG 4.32Å; M1-R356 HydrophobicContact SD-CG 4.49Å | |||
| 2 | T | 80.3 | Confident | 89.6 | Confident | 44 Ų | 44 | 36.3 Ų | 36.3 | 27% | 0.27 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 140.5 | 178.2 | 44.7 | 0 | 0 | 0 | 0 | 109.3 | K323 C355 | T2-K323 HydrophobicContact CG2-CD 3.99Å; T2-K323 WeakPolarHBondContact OG1-CD 3.49Å; T2-C355 PolarHBondContact N-O 2.88Å; T2-C355 PolarHBondContact O-N 2.96Å |
| 3 | S | 84.7 | Confident | 89.6 | Confident | 68 Ų | 68 | 38.2 Ų | 38.2 | 48% | 0.476 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 158.3 | 166.2 | 46.7 | 0 | 0 | 0 | 0 | 111 | I353 | S3-I353 CarbonylContact C-O 3.58Å; S3-I353 VanDerWaalsContact CA-O 3.23Å; S3-I353 WeakPolarHBondContact CA-O 3.44Å |
| 4 | V | 90.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 125.6 | 164.3 | 177.2 | 0 | 0 | 0 | 0 | 108 | V6 T324 I353 | V4-V6 HydrophobicContact CG1-CG2 4.45Å; V4-T324 WeakPolarHBondContact CA-O 3.35Å; V4-T324 HydrophobicContact CG1-CG2 4.19Å; V4-T324 HydrophobicContact CG2-CG2 4.49Å; V4-I353 HydrophobicContact CB-CB 4.43Å; V4-I353 HydrophobicContact CG2-CB 3.71Å; V4-I353 HydrophobicContact CG2-CG2 3.74Å; V4-I353 PolarHBondContact N-O 3.17Å |
| 5 | K | 93.6 | Very high | 89.1 | Confident | 56 Ų | 56 | 45.5 Ų | 45.5 | 24% | 0.243 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 139.5 | 172.3 | -78.9 | -164.2 | 175.7 | -171.4 | 0 | 110 | D51 L74 E77 T324 A325 M326 | K5-D51 VanDerWaalsContact CA-OD2 3.32Å; K5-D51 WeakPolarHBondContact CA-OD2 3.42Å; K5-L74 HydrophobicContact CD-CD2 4.45Å; K5-E77 WeakPolarHBondContact CE-OE1 3.4Å; K5-E77 IonicContact NZ-OE1 3.68Å; K5-E77 PolarHBondContact NZ-OE1 3.39Å; K5-E77 IonicContact NZ-OE2 2.74Å; K5-E77 PolarHBondContact NZ-OE2 3.04Å; K5-T324 PolarHBondContact N-O 3.22Å; K5-A325 HydrophobicContact CB-CB 4.33Å; K5-A325 CarbonylContact O-C 3.55Å; K5-A325 VanDerWaalsContact O-CA 3.25Å; K5-A325 WeakPolarHBondContact O-CA 3.38Å; K5-M326 PolarHBondContact O-N 3.08Å |
| 6 | V | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.8 | -179.2 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | V4 Y50 D51 M326 A347 A350 K351 | V4-V6 HydrophobicContact CG1-CG2 4.45Å; V6-Y50 HydrophobicContact CB-CD1 4.39Å; V6-Y50 HydrophobicContact CG1-CD1 3.66Å; V6-Y50 HydrophobicContact CG1-CE1 4.23Å; V6-D51 PolarHBondContact N-OD2 2.95Å; V6-D51 WeakPolarHBondContact O-CB 3.43Å; V6-D51 PolarHBondContact O-N 2.92Å; V6-M326 HydrophobicContact CG2-CB 4.31Å; V6-A347 HydrophobicContact CG1-CB 3.71Å; V6-A350 HydrophobicContact CG2-CB 4.12Å; V6-K351 HydrophobicContact CB-CB 4.24Å; V6-K351 HydrophobicContact CG2-CB 3.7Å; V6-K351 HydrophobicContact CG2-CG 4.44Å |
| 7 | A | 96.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 149.1 | 169 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y52 Y54 L74 M326 I327 A328 | A7-Y52 VanDerWaalsContact CA-O 3.26Å; A7-Y52 WeakPolarHBondContact CA-O 3.28Å; A7-Y52 HydrophobicContact CB-CD2 4.36Å; A7-Y54 HydrophobicContact CB-CD2 4.09Å; A7-Y54 HydrophobicContact CB-CE2 3.57Å; A7-L74 HydrophobicContact CB-CD1 3.83Å; A7-M326 PolarHBondContact N-O 2.74Å; A7-I327 CarbonylContact O-C 3.54Å; A7-I327 WeakPolarHBondContact O-CA 3.17Å; A7-A328 PolarHBondContact O-N 2.92Å |
| 8 | V | 97.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 145 | 168 | 172.4 | 0 | 0 | 0 | 0 | 109.1 | M28 T33 Y50 Y52 Y54 A328 I330 L344 A347 | V8-M28 HydrophobicContact CB-CE 4.48Å; V8-M28 HydrophobicContact CG1-CE 3.73Å; V8-T33 HydrophobicContact CG1-CG2 4.46Å; V8-Y50 HydrophobicContact CB-CD2 3.95Å; V8-Y50 HydrophobicContact CB-CE2 4.21Å; V8-Y50 HydrophobicContact CB-CG 4.41Å; V8-Y50 HydrophobicContact CG2-CD1 3.96Å; V8-Y50 HydrophobicContact CG2-CD2 3.37Å; V8-Y50 HydrophobicContact CG2-CE1 3.95Å; V8-Y50 HydrophobicContact CG2-CE2 3.35Å; V8-Y50 HydrophobicContact CG2-CG 3.68Å; V8-Y52 PolarHBondContact N-O 2.81Å; V8-Y54 WeakPolarHBondContact O-CB 3.23Å; V8-Y54 WeakPolarHBondContact O-CD2 3.36Å; V8-Y54 PolarHBondContact O-N 3.31Å; V8-A328 CarbonylContact C-O 3.56Å; V8-A328 WeakPolarHBondContact CA-O 3.38Å; V8-A328 HydrophobicContact CG2-CB 3.91Å; V8-I330 HydrophobicContact CG1-CD1 3.52Å; V8-I330 HydrophobicContact CG1-CG1 3.87Å; V8-L344 HydrophobicContact CG1-CD2 4Å; V8-L344 HydrophobicContact CG2-CD2 3.99Å; V8-A347 HydrophobicContact CG2-CB 4.44Å |
| 9 | R | 96.4 | Very high | 88.6 | Confident | 7 Ų | 7 | 53.3 Ų | 53.3 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 122.7 | 173.6 | -172.8 | 178.4 | -168.4 | -173.2 | 12 | 111.3 | Y54 S56 A65 Q67 T103 A328 A329 I330 | R9-Y54 WeakPolarHBondContact CA-O 3.48Å; R9-Y54 HydrophobicContact CB-CD2 4.31Å; R9-S56 PolarHBondContact NE-OG 3.19Å; R9-A65 PolarHBondContact NH2-O 3.17Å; R9-Q67 VanDerWaalsContact CZ-OE1 3.29Å; R9-T103 PolarHBondContact NH1-OG1 3.27Å; R9-A328 PolarHBondContact N-O 2.8Å; R9-A329 WeakPolarHBondContact O-CA 3.44Å; R9-I330 WeakPolarHBondContact O-CG1 3.31Å; R9-I330 PolarHBondContact O-N 2.83Å |
| 10 | V | 95.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 129.4 | 171.3 | 62.7 | 0 | 0 | 0 | 0 | 109.6 | I26 M28 Y54 S56 I57 I330 P332 | V10-I26 HydrophobicContact CB-CG2 4.1Å; V10-I26 HydrophobicContact CG1-CG2 4.11Å; V10-I26 HydrophobicContact CG2-CB 4.15Å; V10-I26 HydrophobicContact CG2-CG1 4.28Å; V10-I26 HydrophobicContact CG2-CG2 4.08Å; V10-M28 HydrophobicContact CB-CE 3.83Å; V10-M28 HydrophobicContact CG1-CE 3.52Å; V10-M28 HydrophobicContact CG1-SD 3.74Å; V10-Y54 PolarHBondContact N-O 2.82Å; V10-S56 CarbonylContact O-C 3.55Å; V10-S56 WeakPolarHBondContact O-CA 3.38Å; V10-S56 VanDerWaalsContact O-CB 3.24Å; V10-S56 WeakPolarHBondContact O-CB 3.43Å; V10-S56 PolarHBondContact O-N 3.42Å; V10-I57 HydrophobicContact CG1-CD1 3.88Å; V10-I57 HydrophobicContact CG1-CG1 3.73Å; V10-I57 HydrophobicContact CG2-CD1 4.08Å; V10-I57 HydrophobicContact CG2-CG1 4.08Å; V10-I330 HydrophobicContact CB-CD1 4.1Å; V10-I330 HydrophobicContact CB-CG1 3.83Å; V10-I330 HydrophobicContact CG2-CG1 4.26Å; V10-P332 HydrophobicContact CG2-CB 3.76Å; V10-P332 HydrophobicContact CG2-CG 4.36Å |
| 11 | R | 93.9 | Very high | 88.3 | Confident | 39 Ų | 39 | 62.1 Ų | 62.1 | 15% | 0.147 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 170.8 | 179.1 | 63.3 | 149.2 | 172.7 | 73.1 | -1.3 | 112.4 | E17 S56 G97 I330 P332 | R11-E17 IonicContact CZ-OE1 2.69Å; R11-E17 IonicContact CZ-OE2 2.76Å; R11-E17 IonicContact NH1-OE1 2.86Å; R11-E17 PolarHBondContact NH1-OE1 2.85Å; R11-E17 IonicContact NH1-OE2 3.68Å; R11-E17 PolarHBondContact NH1-OE2 3.41Å; R11-E17 VanDerWaalsContact NH2-CD 3.35Å; R11-E17 IonicContact NH2-OE1 3.97Å; R11-E17 PolarHBondContact NH2-OE1 2.97Å; R11-E17 IonicContact NH2-OE2 2.75Å; R11-E17 PolarHBondContact NH2-OE2 2.79Å; R11-E17 VanDerWaalsContact NH2-OE2 3.13Å; R11-S56 CarbonylContact C-O 3.6Å; R11-G97 PolarHBondContact NE-O 3.2Å; R11-G97 PolarHBondContact NH2-O 3.15Å; R11-I330 PolarHBondContact N-O 2.77Å; R11-P332 WeakPolarHBondContact O-CD 3.36Å; R11-P332 WeakPolarHBondContact O-CG 3.3Å |
| 12 | P | 91.9 | Very high | 89.7 | Confident | 57 Ų | 57 | 55.2 Ų | 55.2 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 166 | 165.9 | -15.3 | 29 | 0 | 0 | 0 | 111 | S56 | P12-S56 WeakPolarHBondContact CD-O 3.45Å; P12-S56 WeakPolarHBondContact CG-O 3.27Å; P12-S56 VanDerWaalsContact N-O 3.12Å |
| 13 | F | 90.5 | Very high | 90.2 | Very high | 61 Ų | 61 | 60 Ų | 60 | 27% | 0.268 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 142.4 | 165.8 | -71.7 | -75 | 0 | 0 | 0 | 111.3 | E17 I18 C22 C24 P332 A333 | F13-E17 HydrophobicContact CB-CB 4.47Å; F13-E17 HydrophobicContact CD1-CB 3.79Å; F13-I18 HydrophobicContact CB-CD1 4.25Å; F13-I18 HydrophobicContact CB-CG1 3.75Å; F13-C22 HydrophobicContact CE1-CB 4.23Å; F13-C24 HydrophobicContact CE2-CB 4.23Å; F13-C24 HydrophobicContact CZ-CB 3.81Å; F13-P332 HydrophobicContact CD1-CG 3.79Å; F13-P332 HydrophobicContact CE1-CB 4.28Å; F13-P332 HydrophobicContact CE1-CG 3.95Å; F13-P332 HydrophobicContact CG-CG 4.11Å; F13-P332 HydrophobicContact CZ-CB 4.36Å; F13-P332 HydrophobicContact CZ-CG 4.36Å; F13-A333 HydrophobicContact CD1-CB 4.18Å; F13-A333 HydrophobicContact CE1-CB 3.88Å |
| 14 | S | 86.6 | Confident | 90.6 | Very high | 41 Ų | 41 | 59.8 Ų | 59.8 | 29% | 0.287 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -85.6 | 158.9 | 170.8 | 64.6 | 0 | 0 | 0 | 0 | 111 | R16 E17 I18 | S14-R16 PolarHBondContact O-N 3.26Å; S14-E17 WeakPolarHBondContact CB-OE2 3.5Å; S14-E17 PolarHBondContact N-OE2 3.1Å; S14-E17 PolarHBondContact O-N 2.85Å; S14-E17 PolarHBondContact OG-OE2 2.93Å; S14-I18 WeakPolarHBondContact O-CG1 3.39Å; S14-I18 PolarHBondContact O-N 3.34Å |
| 15 | N | 84.3 | Confident | 90.7 | Very high | 144 Ų | 144 | 60.3 Ų | 60.3 | 77% | 0.77 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -51.3 | -35.5 | 179 | -61.3 | 4.8 | 0 | 0 | 0 | 112.8 | A19 | N15-A19 VanDerWaalsContact O-CB 3.29Å; N15-A19 WeakPolarHBondContact O-CB 3.41Å; N15-A19 PolarHBondContact O-N 3.12Å |
| 16 | R | 83.5 | Confident | 90.7 | Very high | 138 Ų | 138 | 58.1 Ų | 58.1 | 52% | 0.521 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.1 | -46.8 | 174.9 | 175.1 | 172.7 | 169.2 | 173.2 | -6 | 112.6 | S14 I18 A19 Q20 N208 | S14-R16 PolarHBondContact O-N 3.26Å; R16-I18 VanDerWaalsContact C-N 3.33Å; R16-A19 PolarHBondContact O-N 3.01Å; R16-Q20 WeakPolarHBondContact O-CB 3.29Å; R16-Q20 VanDerWaalsContact O-CG 3.28Å; R16-Q20 WeakPolarHBondContact O-CG 3.48Å; R16-Q20 PolarHBondContact O-N 3.28Å; R16-N208 PolarHBondContact NH1-O 2.87Å |
| 17 | E | 89.5 | Confident | 90.5 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.028 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.9 | -33.2 | -179.9 | -66.5 | 150.1 | 155.1 | 0 | 0 | 111.5 | R11 F13 S14 K21 C22 S331 A333 I335 N336 | R11-E17 IonicContact CZ-OE1 2.69Å; R11-E17 IonicContact CZ-OE2 2.76Å; R11-E17 IonicContact NH1-OE1 2.86Å; R11-E17 PolarHBondContact NH1-OE1 2.85Å; R11-E17 IonicContact NH1-OE2 3.68Å; R11-E17 PolarHBondContact NH1-OE2 3.41Å; R11-E17 VanDerWaalsContact NH2-CD 3.35Å; R11-E17 IonicContact NH2-OE1 3.97Å; R11-E17 PolarHBondContact NH2-OE1 2.97Å; R11-E17 IonicContact NH2-OE2 2.75Å; R11-E17 PolarHBondContact NH2-OE2 2.79Å; R11-E17 VanDerWaalsContact NH2-OE2 3.13Å; F13-E17 HydrophobicContact CB-CB 4.47Å; F13-E17 HydrophobicContact CD1-CB 3.79Å; S14-E17 WeakPolarHBondContact CB-OE2 3.5Å; S14-E17 PolarHBondContact N-OE2 3.1Å; S14-E17 PolarHBondContact O-N 2.85Å; S14-E17 PolarHBondContact OG-OE2 2.93Å; E17-K21 PolarHBondContact O-N 3.34Å; E17-K21 VanDerWaalsContact O-N 3.09Å; E17-C22 HydrophobicContact CB-CB 4.06Å; E17-C22 PolarHBondContact O-N 3.35Å; E17-S331 PolarHBondContact OE1-OG 2.65Å; E17-A333 HydrophobicContact CB-CB 4.17Å; E17-A333 HydrophobicContact CG-CB 3.67Å; E17-I335 HydrophobicContact CG-CD1 4.02Å; E17-N336 PolarHBondContact OE1-ND2 2.73Å |
| 18 | I | 88.2 | Confident | 90.3 | Very high | 105 Ų | 105 | 62.4 Ų | 62.4 | 54% | 0.538 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.8 | -49.7 | 171.3 | -62.6 | 170.1 | 0 | 0 | 0 | 110.2 | F13 S14 R16 Q20 K21 | F13-I18 HydrophobicContact CB-CD1 4.25Å; F13-I18 HydrophobicContact CB-CG1 3.75Å; S14-I18 WeakPolarHBondContact O-CG1 3.39Å; S14-I18 PolarHBondContact O-N 3.34Å; R16-I18 VanDerWaalsContact C-N 3.33Å; I18-Q20 VanDerWaalsContact C-N 3.31Å; I18-Q20 PolarHBondContact O-N 3.16Å; I18-K21 PolarHBondContact O-N 3.32Å |
| 19 | A | 85.1 | Confident | 89.9 | Confident | 82 Ų | 82 | 69 Ų | 69 | 68% | 0.678 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.3 | -36.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N15 R16 K21 | N15-A19 VanDerWaalsContact O-CB 3.29Å; N15-A19 WeakPolarHBondContact O-CB 3.41Å; N15-A19 PolarHBondContact O-N 3.12Å; R16-A19 PolarHBondContact O-N 3.01Å; A19-K21 VanDerWaalsContact C-N 3.26Å; A19-K21 PolarHBondContact O-N 2.92Å |
| 20 | Q | 85.4 | Confident | 89.6 | Confident | 107 Ų | 107 | 71.6 Ų | 71.6 | 50% | 0.5 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -0.6 | 175.7 | -65.4 | -170.5 | -75.6 | 0 | 0 | 113.7 | R16 I18 C22 | R16-Q20 WeakPolarHBondContact O-CB 3.29Å; R16-Q20 VanDerWaalsContact O-CG 3.28Å; R16-Q20 WeakPolarHBondContact O-CG 3.48Å; R16-Q20 PolarHBondContact O-N 3.28Å; I18-Q20 VanDerWaalsContact C-N 3.31Å; I18-Q20 PolarHBondContact O-N 3.16Å; Q20-C22 VanDerWaalsContact C-N 3.27Å; Q20-C22 PolarHBondContact O-N 2.96Å |
| 21 | K | 87.3 | Confident | 89.5 | Confident | 185 Ų | 185 | 76.7 Ų | 76.7 | 80% | 0.804 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 36.7 | 179.6 | -58.3 | 178.7 | -179.3 | 176.4 | 0 | 113.7 | E17 I18 A19 | E17-K21 PolarHBondContact O-N 3.34Å; E17-K21 VanDerWaalsContact O-N 3.09Å; I18-K21 PolarHBondContact O-N 3.32Å; A19-K21 VanDerWaalsContact C-N 3.26Å; A19-K21 PolarHBondContact O-N 2.92Å |
| 22 | C | 88.3 | Confident | 89.5 | Confident | 18 Ų | 18 | 77.1 Ų | 77.1 | 12% | 0.122 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 142 | -179.8 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | F13 E17 Q20 A333 D334 | F13-C22 HydrophobicContact CE1-CB 4.23Å; E17-C22 HydrophobicContact CB-CB 4.06Å; E17-C22 PolarHBondContact O-N 3.35Å; Q20-C22 VanDerWaalsContact C-N 3.27Å; Q20-C22 PolarHBondContact O-N 2.96Å; C22-A333 HydrophobicContact CB-CB 3.83Å; C22-D334 WeakPolarHBondContact CA-OD1 3.3Å; C22-D334 WeakPolarHBondContact CB-OD1 3.33Å |
| 23 | K | 90 | Very high | 89.6 | Confident | 145 Ų | 145 | 74.4 Ų | 74.4 | 63% | 0.63 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -82.6 | 154.1 | 174 | -61.1 | 175.6 | -179.8 | 177.5 | 0 | 111.5 | A333 D334 | K23-A333 WeakPolarHBondContact O-CA 3.49Å; K23-D334 HydrophobicContact CB-CB 4.35Å; K23-D334 VanDerWaalsContact CB-OD2 3.29Å; K23-D334 WeakPolarHBondContact CB-OD2 3.44Å; K23-D334 WeakPolarHBondContact CG-OD2 3.28Å; K23-D334 PolarHBondContact N-OD1 3.49Å; K23-D334 PolarHBondContact N-OD2 3.16Å; K23-D334 PolarHBondContact O-N 3.43Å |
| 24 | C | 92.2 | Very high | 89.8 | Confident | 64 Ų | 64 | 72.4 Ų | 72.4 | 43% | 0.432 | 39% | 0.392 | S | S | . | . | B | Isolated β-bridge | trans | -80.5 | 122.6 | 171.8 | -165.8 | 0 | 0 | 0 | 0 | 109.9 | F13 I26 P332 | F13-C24 HydrophobicContact CE2-CB 4.23Å; F13-C24 HydrophobicContact CZ-CB 3.81Å; C24-I26 PolarHBondContact SG-O 3.12Å; C24-P332 CarbonylContact C-O 3.59Å; C24-P332 VanDerWaalsContact CA-O 3.31Å; C24-P332 WeakPolarHBondContact CA-O 3.26Å |
| 25 | I | 93.8 | Very high | 90.2 | Very high | 12 Ų | 12 | 70.4 Ų | 70.4 | 6% | 0.062 | 38% | 0.379 | C | S | . | . | trans | -105.7 | -6.3 | 178.1 | 51.9 | 161.7 | 0 | 0 | 0 | 113.5 | I35 H36 P332 A333 D334 Y337 | I25-I35 HydrophobicContact CB-CG1 4.5Å; I25-I35 HydrophobicContact CD1-CD1 4.02Å; I25-I35 HydrophobicContact CD1-CG1 4.09Å; I25-I35 CarbonylContact O-C 3.56Å; I25-I35 WeakPolarHBondContact O-CA 3.31Å; I25-H36 VanDerWaalsContact CB-O 3.29Å; I25-H36 WeakPolarHBondContact CB-O 3.26Å; I25-H36 VanDerWaalsContact CG2-O 3.27Å; I25-H36 WeakPolarHBondContact CG2-O 3.41Å; I25-H36 PolarHBondContact O-N 2.87Å; I25-P332 WeakPolarHBondContact CG1-O 3.46Å; I25-P332 PolarHBondContact N-O 2.96Å; I25-A333 VanDerWaalsContact CD1-O 3.32Å; I25-A333 WeakPolarHBondContact CD1-O 3.48Å; I25-D334 HydrophobicContact CG2-CB 3.77Å; I25-Y337 HydrophobicContact CD1-CD2 3.96Å; I25-Y337 HydrophobicContact CD1-CG 4.42Å | ||
| 26 | I | 93.9 | Very high | 90.6 | Very high | 10 Ų | 10 | 66.8 Ų | 66.8 | 5% | 0.051 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 134 | -177.7 | -60.4 | -59 | 0 | 0 | 0 | 110.9 | V10 C24 M28 T33 I35 I330 T340 L344 | V10-I26 HydrophobicContact CB-CG2 4.1Å; V10-I26 HydrophobicContact CG1-CG2 4.11Å; V10-I26 HydrophobicContact CG2-CB 4.15Å; V10-I26 HydrophobicContact CG2-CG1 4.28Å; V10-I26 HydrophobicContact CG2-CG2 4.08Å; C24-I26 PolarHBondContact SG-O 3.12Å; I26-M28 HydrophobicContact CG2-CE 4.2Å; I26-M28 HydrophobicContact CG2-CG 4.28Å; I26-T33 HydrophobicContact CG2-CG2 4.09Å; I26-I35 HydrophobicContact CD1-CB 3.71Å; I26-I35 HydrophobicContact CD1-CD1 4.29Å; I26-I35 HydrophobicContact CD1-CG1 3.78Å; I26-I330 HydrophobicContact CD1-CD1 3.93Å; I26-I330 HydrophobicContact CG1-CD1 4.04Å; I26-I330 HydrophobicContact CG2-CD1 4.22Å; I26-T340 HydrophobicContact CD1-CG2 3.79Å; I26-T340 HydrophobicContact CG1-CG2 4.42Å; I26-L344 HydrophobicContact CD1-CD1 4.48Å |
| 27 | S | 91.3 | Very high | 90.5 | Very high | 49 Ų | 49 | 60.5 Ų | 60.5 | 34% | 0.343 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 138.1 | 168.4 | 54.2 | 0 | 0 | 0 | 0 | 109.1 | T34 H36 | S27-T34 PolarHBondContact N-O 2.67Å; S27-T34 PolarHBondContact O-N 2.95Å; S27-T34 PolarHBondContact OG-O 2.95Å; S27-H36 PolarHBondContact OG-NE2 3.11Å |
| 28 | M | 91.7 | Very high | 89.7 | Confident | 41 Ų | 41 | 67.9 Ų | 67.9 | 20% | 0.202 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 140.5 | 179.4 | -70.8 | 179.4 | 174.9 | 0 | 0 | 109.9 | V8 V10 I26 V32 T33 C55 I330 | V8-M28 HydrophobicContact CB-CE 4.48Å; V8-M28 HydrophobicContact CG1-CE 3.73Å; V10-M28 HydrophobicContact CB-CE 3.83Å; V10-M28 HydrophobicContact CG1-CE 3.52Å; V10-M28 HydrophobicContact CG1-SD 3.74Å; I26-M28 HydrophobicContact CG2-CE 4.2Å; I26-M28 HydrophobicContact CG2-CG 4.28Å; M28-V32 WeakPolarHBondContact CA-O 3Å; M28-T33 HydrophobicContact CE-CG2 3.9Å; M28-T33 WeakPolarHBondContact CE-OG1 2.97Å; M28-T33 HydrophobicContact CG-CG2 4.16Å; M28-C55 HydrophobicContact SD-CB 4.19Å; M28-I330 HydrophobicContact CE-CD1 4.25Å |
| 29 | N | 88.9 | Confident | 88.5 | Confident | 138 Ų | 138 | 67 Ų | 67 | 74% | 0.738 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 106.8 | 174.6 | -173.4 | -0.7 | 0 | 0 | 0 | 109.1 | Q31 V32 | N29-Q31 PolarHBondContact O-N 3.41Å; N29-V32 PolarHBondContact N-O 3.43Å; N29-V32 PolarHBondContact O-N 2.78Å |
| 30 | G | 89.6 | Confident | 87.3 | Confident | 61 Ų | 61 | 68.8 Ų | 68.8 | 63% | 0.629 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | -118.9 | -172 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 31 | Q | 92.6 | Very high | 86.3 | Confident | 107 Ų | 107 | 67.4 Ų | 67.4 | 50% | 0.5 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -9.7 | 178.2 | -73.8 | 177.7 | -4.1 | 0 | 0 | 114.3 | N29 T49 Y50 D51 S53 | N29-Q31 PolarHBondContact O-N 3.41Å; Q31-T49 HydrophobicContact CB-CG2 4.19Å; Q31-Y50 PolarHBondContact O-N 3.28Å; Q31-Y50 VanDerWaalsContact O-N 3.12Å; Q31-D51 PolarHBondContact NE2-O 3.17Å; Q31-S53 PolarHBondContact O-OG 2.97Å |
| 32 | V | 94.6 | Very high | 85.4 | Confident | 48 Ų | 48 | 65 Ų | 65 | 29% | 0.291 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 124.7 | -174.6 | -174.1 | 0 | 0 | 0 | 0 | 110.7 | M28 N29 F48 T49 | M28-V32 WeakPolarHBondContact CA-O 3Å; N29-V32 PolarHBondContact N-O 3.43Å; N29-V32 PolarHBondContact O-N 2.78Å; V32-F48 CarbonylContact C-O 3.56Å; V32-F48 WeakPolarHBondContact CA-O 3.43Å; V32-T49 HydrophobicContact CG2-CG2 4.39Å |
| 33 | T | 95.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 126.3 | 166.5 | -62.3 | 0 | 0 | 0 | 0 | 109.2 | V8 I26 M28 S47 F48 S53 I330 L344 | V8-T33 HydrophobicContact CG1-CG2 4.46Å; I26-T33 HydrophobicContact CG2-CG2 4.09Å; M28-T33 HydrophobicContact CE-CG2 3.9Å; M28-T33 WeakPolarHBondContact CE-OG1 2.97Å; M28-T33 HydrophobicContact CG-CG2 4.16Å; T33-S47 WeakPolarHBondContact O-CA 3.47Å; T33-F48 PolarHBondContact N-O 3.12Å; T33-F48 PolarHBondContact O-N 3.18Å; T33-S53 WeakPolarHBondContact OG1-CB 3.49Å; T33-S53 PolarHBondContact OG1-OG 3Å; T33-I330 HydrophobicContact CG2-CD1 4.32Å; T33-L344 HydrophobicContact CG2-CD2 3.86Å |
| 34 | T | 94.7 | Very high | 84.1 | Confident | 19 Ų | 19 | 68 Ų | 68 | 12% | 0.117 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 125 | 175.3 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | S27 H46 S47 | S27-T34 PolarHBondContact N-O 2.67Å; S27-T34 PolarHBondContact O-N 2.95Å; S27-T34 PolarHBondContact OG-O 2.95Å; T34-H46 WeakPolarHBondContact CA-O 3.45Å; T34-S47 WeakPolarHBondContact CG2-OG 3.39Å; T34-S47 WeakPolarHBondContact OG1-CB 3.35Å; T34-S47 PolarHBondContact OG1-OG 3.06Å |
| 35 | I | 94.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 130.6 | 172.5 | -175.4 | -179.2 | 0 | 0 | 0 | 110.2 | I25 I26 S45 H46 F48 Y337 T340 L341 L344 | I25-I35 HydrophobicContact CB-CG1 4.5Å; I25-I35 HydrophobicContact CD1-CD1 4.02Å; I25-I35 HydrophobicContact CD1-CG1 4.09Å; I25-I35 CarbonylContact O-C 3.56Å; I25-I35 WeakPolarHBondContact O-CA 3.31Å; I26-I35 HydrophobicContact CD1-CB 3.71Å; I26-I35 HydrophobicContact CD1-CD1 4.29Å; I26-I35 HydrophobicContact CD1-CG1 3.78Å; I35-S45 CarbonylContact O-C 3.55Å; I35-S45 WeakPolarHBondContact O-CA 3.42Å; I35-H46 HydrophobicContact CG2-CB 3.86Å; I35-H46 WeakPolarHBondContact CG2-O 3.41Å; I35-H46 PolarHBondContact N-O 2.79Å; I35-H46 PolarHBondContact O-N 2.98Å; I35-F48 HydrophobicContact CG2-CE2 4.17Å; I35-Y337 HydrophobicContact CD1-CD2 3.55Å; I35-Y337 HydrophobicContact CD1-CE2 3.7Å; I35-Y337 HydrophobicContact CD1-CG 4.25Å; I35-Y337 HydrophobicContact CG1-CD2 3.78Å; I35-Y337 HydrophobicContact CG1-CE2 3.71Å; I35-T340 HydrophobicContact CD1-CG2 3.99Å; I35-L341 HydrophobicContact CD1-CB 4.04Å; I35-L341 HydrophobicContact CG2-CD1 4Å; I35-L344 HydrophobicContact CB-CD1 3.86Å; I35-L344 HydrophobicContact CD1-CD1 4.36Å; I35-L344 HydrophobicContact CG2-CD1 3.71Å |
| 36 | H | 92 | Very high | 83.7 | Confident | 68 Ų | 68 | 71 Ų | 71 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 143.9 | 178.8 | -55 | -69.7 | 0 | 0 | 0 | 110.5 | I25 S27 Y337 | I25-H36 VanDerWaalsContact CB-O 3.29Å; I25-H36 WeakPolarHBondContact CB-O 3.26Å; I25-H36 VanDerWaalsContact CG2-O 3.27Å; I25-H36 WeakPolarHBondContact CG2-O 3.41Å; I25-H36 PolarHBondContact O-N 2.87Å; S27-H36 PolarHBondContact OG-NE2 3.11Å; H36-Y337 WeakPolarHBondContact O-CD2 3.33Å; H36-Y337 WeakPolarHBondContact O-CE2 3.45Å |
| 37 | G | 81.5 | Confident | 83.6 | Confident | 5 Ų | 5 | 74.2 Ų | 74.2 | 5% | 0.052 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.8 | 167.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E43 R44 Y337 | G37-E43 CarbonylContact O-C 3.59Å; G37-E43 WeakPolarHBondContact O-CA 3.13Å; G37-R44 PolarHBondContact N-O 2.86Å; G37-R44 PolarHBondContact O-N 3.35Å; G37-Y337 VanDerWaalsContact CA-CE2 3.49Å |
| 38 | Y | 72.4 | Confident | 83.8 | Confident | 162 Ų | 162 | 73 Ų | 73 | 64% | 0.635 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 120.1 | -178.4 | -58.3 | -79.4 | 0 | 0 | 0 | 109.3 | H42 E43 | Y38-H42 WeakPolarHBondContact CA-O 3.45Å; Y38-E43 HydrophobicContact CD1-CB 4.02Å; Y38-E43 HydrophobicContact CD1-CG 4.28Å; Y38-E43 HydrophobicContact CE1-CB 3.76Å; Y38-E43 HydrophobicContact CE1-CG 3.69Å; Y38-E43 WeakPolarHBondContact CE1-OE1 3.43Å; Y38-E43 PolarHBondContact OH-OE1 2.86Å |
| 39 | K | 63.1 | Low | 83.9 | Confident | 85 Ų | 85 | 74.5 Ų | 74.5 | 37% | 0.37 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 127 | 177.4 | -159.1 | 159.2 | -170 | 164.8 | 0 | 109.9 | G41 H42 R44 E338 | K39-G41 VanDerWaalsContact C-N 3.26Å; K39-G41 PolarHBondContact O-N 3.08Å; K39-H42 PolarHBondContact N-O 2.86Å; K39-H42 PolarHBondContact O-N 2.78Å; K39-R44 PolarHBondContact O-NH2 2.85Å; K39-R44 VanDerWaalsContact O-NH2 3.14Å; K39-E338 IonicContact NZ-OE1 2.78Å; K39-E338 PolarHBondContact NZ-OE1 2.74Å |
| 40 | D | 60.7 | Low | 84.2 | Confident | 121 Ų | 121 | 67.9 Ų | 67.9 | 65% | 0.647 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 36.9 | -176 | -38.5 | -44.1 | 0 | 0 | 0 | 112.3 | H42 R44 | D40-H42 PolarHBondContact O-CD2 2.85Å; D40-H42 PolarHBondContact O-N 2.82Å; D40-R44 IonicContact OD2-CZ 2.63Å; D40-R44 IonicContact OD2-NH1 3.52Å; D40-R44 IonicContact OD2-NH2 3.07Å; D40-R44 PolarHBondContact OD2-NH2 2.79Å |
| 41 | G | 63.6 | Low | 84.4 | Confident | 78 Ų | 78 | 66.7 Ų | 66.7 | 80% | 0.804 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | -11.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | K39 | K39-G41 VanDerWaalsContact C-N 3.26Å; K39-G41 PolarHBondContact O-N 3.08Å |
| 42 | H | 69.7 | Low | 84.5 | Confident | 133 Ų | 133 | 64.5 Ų | 64.5 | 62% | 0.616 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 139.8 | 179.4 | -66.6 | -76.6 | 0 | 0 | 0 | 112.3 | Y38 K39 D40 | Y38-H42 WeakPolarHBondContact CA-O 3.45Å; K39-H42 PolarHBondContact N-O 2.86Å; K39-H42 PolarHBondContact O-N 2.78Å; D40-H42 PolarHBondContact O-CD2 2.85Å; D40-H42 PolarHBondContact O-N 2.82Å |
| 43 | E | 71.8 | Confident | 84.5 | Confident | 128 Ų | 128 | 63 Ų | 63 | 60% | 0.598 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 129 | 170.2 | -167.7 | 164.4 | -113 | 0 | 0 | 110 | G37 Y38 | G37-E43 CarbonylContact O-C 3.59Å; G37-E43 WeakPolarHBondContact O-CA 3.13Å; Y38-E43 HydrophobicContact CD1-CB 4.02Å; Y38-E43 HydrophobicContact CD1-CG 4.28Å; Y38-E43 HydrophobicContact CE1-CB 3.76Å; Y38-E43 HydrophobicContact CE1-CG 3.69Å; Y38-E43 WeakPolarHBondContact CE1-OE1 3.43Å; Y38-E43 PolarHBondContact OH-OE1 2.86Å |
| 44 | R | 78.4 | Confident | 84.5 | Confident | 99 Ų | 99 | 63.5 Ų | 63.5 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 104.7 | 179.9 | -61.3 | -172 | -165.7 | 168.9 | 13.2 | 109.9 | G37 K39 D40 | G37-R44 PolarHBondContact N-O 2.86Å; G37-R44 PolarHBondContact O-N 3.35Å; K39-R44 PolarHBondContact O-NH2 2.85Å; K39-R44 VanDerWaalsContact O-NH2 3.14Å; D40-R44 IonicContact OD2-CZ 2.63Å; D40-R44 IonicContact OD2-NH1 3.52Å; D40-R44 IonicContact OD2-NH2 3.07Å; D40-R44 PolarHBondContact OD2-NH2 2.79Å |
| 45 | S | 86 | Confident | 84.4 | Confident | 73 Ų | 73 | 63.6 Ų | 63.6 | 51% | 0.51 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 134.7 | 169.1 | 57.3 | 0 | 0 | 0 | 0 | 111 | I35 | I35-S45 CarbonylContact O-C 3.55Å; I35-S45 WeakPolarHBondContact O-CA 3.42Å |
| 46 | H | 91.4 | Very high | 84.3 | Confident | 65 Ų | 65 | 63.8 Ų | 63.8 | 30% | 0.301 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 120.1 | 169.9 | -69.9 | -46.6 | 0 | 0 | 0 | 110 | T34 I35 F48 L341 R345 | T34-H46 WeakPolarHBondContact CA-O 3.45Å; I35-H46 HydrophobicContact CG2-CB 3.86Å; I35-H46 WeakPolarHBondContact CG2-O 3.41Å; I35-H46 PolarHBondContact N-O 2.79Å; I35-H46 PolarHBondContact O-N 2.98Å; H46-F48 HydrophobicContact CB-CE2 3.72Å; H46-F48 HydrophobicContact CB-CZ 4.14Å; H46-L341 HydrophobicContact CB-CD1 4.23Å; H46-R345 PolarHBondContact NE2-NH2 3.01Å |
| 47 | S | 92.6 | Very high | 84.1 | Confident | 78 Ų | 78 | 62.7 Ų | 62.7 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 136.3 | 178.7 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | T33 T34 | T33-S47 WeakPolarHBondContact O-CA 3.47Å; T34-S47 WeakPolarHBondContact CG2-OG 3.39Å; T34-S47 WeakPolarHBondContact OG1-CB 3.35Å; T34-S47 PolarHBondContact OG1-OG 3.06Å |
| 48 | F | 94.5 | Very high | 84.1 | Confident | 24 Ų | 24 | 66.3 Ų | 66.3 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 147.8 | -179.1 | -58.4 | -91.8 | 0 | 0 | 0 | 110.2 | V32 T33 I35 H46 Y50 L341 L344 R345 D348 | V32-F48 CarbonylContact C-O 3.56Å; V32-F48 WeakPolarHBondContact CA-O 3.43Å; T33-F48 PolarHBondContact N-O 3.12Å; T33-F48 PolarHBondContact O-N 3.18Å; I35-F48 HydrophobicContact CG2-CE2 4.17Å; H46-F48 HydrophobicContact CB-CE2 3.72Å; H46-F48 HydrophobicContact CB-CZ 4.14Å; F48-Y50 HydrophobicContact CB-CD2 4.44Å; F48-Y50 HydrophobicContact CB-CE1 4.42Å; F48-Y50 HydrophobicContact CB-CE2 3.44Å; F48-Y50 VanDerWaalsContact CB-CE2 3.44Å; F48-Y50 VanDerWaalsContact CB-CZ 3.44Å; F48-Y50 WeakPolarHBondContact CB-OH 3.2Å; F48-Y50 HydrophobicContact CG-CE2 4.46Å; F48-Y50 WeakPolarHBondContact CG-OH 3.36Å; F48-L341 HydrophobicContact CE2-CD1 3.99Å; F48-L341 HydrophobicContact CZ-CD1 3.87Å; F48-L344 HydrophobicContact CD2-CB 3.88Å; F48-L344 HydrophobicContact CD2-CD1 4.11Å; F48-L344 HydrophobicContact CD2-CD2 4.5Å; F48-L344 HydrophobicContact CD2-CG 4.39Å; F48-L344 HydrophobicContact CE2-CB 3.78Å; F48-L344 HydrophobicContact CE2-CD1 4.07Å; F48-L344 HydrophobicContact CG-CB 4.36Å; F48-L344 HydrophobicContact CZ-CB 4.18Å; F48-R345 HydrophobicContact CE1-CG 3.82Å; F48-R345 HydrophobicContact CZ-CG 3.74Å; F48-D348 HydrophobicContact CD1-CB 4.13Å |
| 49 | T | 94.6 | Very high | 84.6 | Confident | 72 Ų | 72 | 65 Ų | 65 | 44% | 0.442 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 102.4 | -172.9 | -51.8 | 0 | 0 | 0 | 0 | 112.4 | Q31 V32 K351 | Q31-T49 HydrophobicContact CB-CG2 4.19Å; V32-T49 HydrophobicContact CG2-CG2 4.39Å; T49-K351 PolarHBondContact O-NZ 2.81Å |
| 50 | Y | 95 | Very high | 85.4 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 38% | 0.376 | C | S | . | . | trans | -92.8 | -177.4 | -177.7 | -57.6 | -68.8 | 0 | 0 | 0 | 111.2 | V6 V8 Q31 F48 Y52 L344 A347 D348 K351 | V6-Y50 HydrophobicContact CB-CD1 4.39Å; V6-Y50 HydrophobicContact CG1-CD1 3.66Å; V6-Y50 HydrophobicContact CG1-CE1 4.23Å; V8-Y50 HydrophobicContact CB-CD2 3.95Å; V8-Y50 HydrophobicContact CB-CE2 4.21Å; V8-Y50 HydrophobicContact CB-CG 4.41Å; V8-Y50 HydrophobicContact CG2-CD1 3.96Å; V8-Y50 HydrophobicContact CG2-CD2 3.37Å; V8-Y50 HydrophobicContact CG2-CE1 3.95Å; V8-Y50 HydrophobicContact CG2-CE2 3.35Å; V8-Y50 HydrophobicContact CG2-CG 3.68Å; Q31-Y50 PolarHBondContact O-N 3.28Å; Q31-Y50 VanDerWaalsContact O-N 3.12Å; F48-Y50 HydrophobicContact CB-CD2 4.44Å; F48-Y50 HydrophobicContact CB-CE1 4.42Å; F48-Y50 HydrophobicContact CB-CE2 3.44Å; F48-Y50 VanDerWaalsContact CB-CE2 3.44Å; F48-Y50 VanDerWaalsContact CB-CZ 3.44Å; F48-Y50 WeakPolarHBondContact CB-OH 3.2Å; F48-Y50 HydrophobicContact CG-CE2 4.46Å; F48-Y50 WeakPolarHBondContact CG-OH 3.36Å; Y50-Y52 WeakPolarHBondContact CB-O 3.48Å; Y50-L344 HydrophobicContact CE2-CD2 3.76Å; Y50-L344 VanDerWaalsContact OH-C 3.24Å; Y50-L344 VanDerWaalsContact OH-CA 3.27Å; Y50-L344 WeakPolarHBondContact OH-CA 3.23Å; Y50-L344 WeakPolarHBondContact OH-CB 3.39Å; Y50-L344 WeakPolarHBondContact OH-CD2 3.16Å; Y50-L344 PolarHBondContact OH-O 2.94Å; Y50-A347 HydrophobicContact CD1-CB 4.27Å; Y50-A347 HydrophobicContact CE1-CB 3.57Å; Y50-D348 HydrophobicContact CE1-CB 4.44Å; Y50-K351 PolarHBondContact O-NZ 2.83Å | ||
| 51 | D | 94 | Very high | 86.3 | Confident | 36 Ų | 36 | 66.7 Ų | 66.7 | 19% | 0.193 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -81.4 | -31.4 | 173.1 | -53.5 | -41.4 | 0 | 0 | 0 | 110.4 | K5 V6 Q31 K351 | K5-D51 VanDerWaalsContact CA-OD2 3.32Å; K5-D51 WeakPolarHBondContact CA-OD2 3.42Å; V6-D51 PolarHBondContact N-OD2 2.95Å; V6-D51 WeakPolarHBondContact O-CB 3.43Å; V6-D51 PolarHBondContact O-N 2.92Å; Q31-D51 PolarHBondContact NE2-O 3.17Å; D51-K351 WeakPolarHBondContact OD1-CE 3.41Å; D51-K351 IonicContact OD1-NZ 3.72Å; D51-K351 PolarHBondContact OD1-NZ 3.43Å |
| 52 | Y | 94.7 | Very high | 87.1 | Confident | 60 Ų | 60 | 70.2 Ų | 70.2 | 24% | 0.235 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 141.2 | 168.7 | -53.2 | -88.8 | 0 | 0 | 0 | 110.5 | A7 V8 Y50 Y54 D73 L74 | A7-Y52 VanDerWaalsContact CA-O 3.26Å; A7-Y52 WeakPolarHBondContact CA-O 3.28Å; A7-Y52 HydrophobicContact CB-CD2 4.36Å; V8-Y52 PolarHBondContact N-O 2.81Å; Y50-Y52 WeakPolarHBondContact CB-O 3.48Å; Y52-Y54 HydrophobicContact CD1-CE1 4.41Å; Y52-Y54 HydrophobicContact CG-CE1 4.37Å; Y52-Y54 AromaticContact CG-CZ 3.9Å; Y52-D73 HydrophobicContact CD1-CB 4.18Å; Y52-D73 HydrophobicContact CE1-CB 3.79Å; Y52-D73 PolarHBondContact OH-O 3.28Å; Y52-D73 VanDerWaalsContact OH-O 3.06Å; Y52-L74 HydrophobicContact CD2-CD2 3.94Å; Y52-L74 HydrophobicContact CD2-CG 4.24Å; Y52-L74 HydrophobicContact CE2-CD2 3.67Å; Y52-L74 HydrophobicContact CE2-CG 4.17Å |
| 53 | S | 95.3 | Very high | 87.7 | Confident | 18 Ų | 18 | 66.9 Ų | 66.9 | 13% | 0.126 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 103.6 | 169.6 | -70.4 | 0 | 0 | 0 | 0 | 108.9 | Q31 T33 | Q31-S53 PolarHBondContact O-OG 2.97Å; T33-S53 WeakPolarHBondContact OG1-CB 3.49Å; T33-S53 PolarHBondContact OG1-OG 3Å |
| 54 | Y | 94.8 | Very high | 88.5 | Confident | 10 Ų | 10 | 63.4 Ų | 63.4 | 4% | 0.039 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 108 | -172.6 | -63 | -59.3 | 0 | 0 | 0 | 111.6 | A7 V8 R9 V10 Y52 S56 A65 V70 D73 L74 | A7-Y54 HydrophobicContact CB-CD2 4.09Å; A7-Y54 HydrophobicContact CB-CE2 3.57Å; V8-Y54 WeakPolarHBondContact O-CB 3.23Å; V8-Y54 WeakPolarHBondContact O-CD2 3.36Å; V8-Y54 PolarHBondContact O-N 3.31Å; R9-Y54 WeakPolarHBondContact CA-O 3.48Å; R9-Y54 HydrophobicContact CB-CD2 4.31Å; V10-Y54 PolarHBondContact N-O 2.82Å; Y52-Y54 HydrophobicContact CD1-CE1 4.41Å; Y52-Y54 HydrophobicContact CG-CE1 4.37Å; Y52-Y54 AromaticContact CG-CZ 3.9Å; Y54-S56 PolarHBondContact O-N 3.28Å; Y54-A65 HydrophobicContact CD1-CB 3.78Å; Y54-A65 HydrophobicContact CG-CB 4.05Å; Y54-V70 HydrophobicContact CD1-CG2 4Å; Y54-V70 HydrophobicContact CD2-CG1 4.35Å; Y54-V70 HydrophobicContact CD2-CG2 3.89Å; Y54-V70 HydrophobicContact CE1-CG2 4.15Å; Y54-V70 HydrophobicContact CE2-CB 4.37Å; Y54-V70 HydrophobicContact CE2-CG1 3.89Å; Y54-V70 HydrophobicContact CE2-CG2 4.03Å; Y54-V70 HydrophobicContact CG-CG2 3.87Å; Y54-D73 HydrophobicContact CE1-CB 4.4Å; Y54-D73 WeakPolarHBondContact OH-CB 3.32Å; Y54-L74 HydrophobicContact CE2-CD1 4.08Å |
| 55 | C | 92.5 | Very high | 89.1 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 14% | 0.142 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 107.3 | 170.7 | -171.3 | 0 | 0 | 0 | 0 | 109.8 | M28 Y64 A65 | M28-C55 HydrophobicContact SD-CB 4.19Å; C55-Y64 CarbonylContact O-C 3.54Å; C55-Y64 WeakPolarHBondContact O-CA 3.29Å; C55-A65 PolarHBondContact O-N 3.01Å |
| 56 | S | 91.2 | Very high | 89.4 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | trans | -111.9 | 35.5 | 171 | -50.9 | 0 | 0 | 0 | 0 | 111.1 | R9 V10 R11 P12 Y54 A65 | R9-S56 PolarHBondContact NE-OG 3.19Å; V10-S56 CarbonylContact O-C 3.55Å; V10-S56 WeakPolarHBondContact O-CA 3.38Å; V10-S56 VanDerWaalsContact O-CB 3.24Å; V10-S56 WeakPolarHBondContact O-CB 3.43Å; V10-S56 PolarHBondContact O-N 3.42Å; R11-S56 CarbonylContact C-O 3.6Å; P12-S56 WeakPolarHBondContact CD-O 3.45Å; P12-S56 WeakPolarHBondContact CG-O 3.27Å; P12-S56 VanDerWaalsContact N-O 3.12Å; Y54-S56 PolarHBondContact O-N 3.28Å; S56-A65 PolarHBondContact OG-O 2.89Å | ||
| 57 | I | 87.9 | Confident | 89.5 | Confident | 46 Ų | 46 | 54.5 Ų | 54.5 | 24% | 0.236 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -80.4 | -53.4 | -173.2 | -58.2 | -178.4 | 0 | 0 | 0 | 112.6 | V10 P332 | V10-I57 HydrophobicContact CG1-CD1 3.88Å; V10-I57 HydrophobicContact CG1-CG1 3.73Å; V10-I57 HydrophobicContact CG2-CD1 4.08Å; V10-I57 HydrophobicContact CG2-CG1 4.08Å; I57-P332 HydrophobicContact CD1-CB 4.37Å |
| 58 | D | 82.5 | Confident | 89.4 | Confident | 81 Ų | 81 | 57.2 Ų | 57.2 | 43% | 0.433 | 30% | 0.303 | S | S | . | . | trans | -123.1 | 129.9 | -177.5 | -173 | -5.7 | 0 | 0 | 0 | 110.4 | Q60 D61 Y64 | D58-Q60 PolarHBondContact O-N 2.91Å; D58-Q60 PolarHBondContact OD1-N 2.8Å; D58-D61 PolarHBondContact O-N 2.88Å; D58-Y64 WeakPolarHBondContact O-CD2 3.32Å | ||
| 59 | L | 81.3 | Confident | 89.3 | Confident | 134 Ų | 134 | 58.3 Ų | 58.3 | 70% | 0.702 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -16.8 | 177.2 | -77.3 | 155.7 | 0 | 0 | 0 | 113.3 | Y64 | L59-Y64 HydrophobicContact CD2-CD1 4.14Å; L59-Y64 HydrophobicContact CD2-CE1 3.54Å; L59-Y64 HydrophobicContact CD2-CE2 4Å; L59-Y64 VanDerWaalsContact CD2-CZ 3.46Å; L59-Y64 HydrophobicContact CG-CE2 4.14Å |
| 60 | Q | 80.1 | Confident | 89.3 | Confident | 178 Ų | 178 | 55 Ų | 55 | 83% | 0.832 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -13 | 178.1 | -57.4 | -171.8 | 33.9 | 0 | 0 | 113.3 | D58 | D58-Q60 PolarHBondContact O-N 2.91Å; D58-Q60 PolarHBondContact OD1-N 2.8Å |
| 61 | D | 81.3 | Confident | 89.3 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 34% | 0.342 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -77 | 130.4 | 177.1 | -176.6 | 4.9 | 0 | 0 | 0 | 111.1 | D58 S63 Y64 | D58-D61 PolarHBondContact O-N 2.88Å; D61-S63 VanDerWaalsContact CG-N 3.34Å; D61-S63 PolarHBondContact O-N 3.31Å; D61-S63 VanDerWaalsContact O-N 3.08Å; D61-S63 PolarHBondContact OD1-N 3.46Å; D61-S63 WeakPolarHBondContact OD2-CB 3.41Å; D61-S63 PolarHBondContact OD2-OG 3.33Å; D61-Y64 WeakPolarHBondContact O-CB 3.42Å; D61-Y64 PolarHBondContact O-N 2.99Å |
| 62 | T | 80.1 | Confident | 89.3 | Confident | 151 Ų | 151 | 56.9 Ų | 56.9 | 93% | 0.926 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -23.6 | 166.4 | 52.4 | 0 | 0 | 0 | 0 | 114.8 | Y64 | T62-Y64 VanDerWaalsContact C-N 3.35Š|
| 63 | S | 81.1 | Confident | 89.2 | Confident | 64 Ų | 64 | 56.8 Ų | 56.8 | 45% | 0.448 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -0.3 | 176 | 91.7 | 0 | 0 | 0 | 0 | 114.8 | D61 A65 | D61-S63 VanDerWaalsContact CG-N 3.34Å; D61-S63 PolarHBondContact O-N 3.31Å; D61-S63 VanDerWaalsContact O-N 3.08Å; D61-S63 PolarHBondContact OD1-N 3.46Å; D61-S63 WeakPolarHBondContact OD2-CB 3.41Å; D61-S63 PolarHBondContact OD2-OG 3.33Å; S63-A65 PolarHBondContact O-N 2.96Å; S63-A65 VanDerWaalsContact O-N 3.12Å |
| 64 | Y | 89.4 | Confident | 89.1 | Confident | 54 Ų | 54 | 56 Ų | 56 | 21% | 0.212 | 30% | 0.299 | C | S | . | . | trans | -60.1 | 112.5 | -172.4 | -177.9 | -99.1 | 0 | 0 | 0 | 114.2 | C55 D58 L59 D61 T62 S66 | C55-Y64 CarbonylContact O-C 3.54Å; C55-Y64 WeakPolarHBondContact O-CA 3.29Å; D58-Y64 WeakPolarHBondContact O-CD2 3.32Å; L59-Y64 HydrophobicContact CD2-CD1 4.14Å; L59-Y64 HydrophobicContact CD2-CE1 3.54Å; L59-Y64 HydrophobicContact CD2-CE2 4Å; L59-Y64 VanDerWaalsContact CD2-CZ 3.46Å; L59-Y64 HydrophobicContact CG-CE2 4.14Å; D61-Y64 WeakPolarHBondContact O-CB 3.42Å; D61-Y64 PolarHBondContact O-N 2.99Å; T62-Y64 VanDerWaalsContact C-N 3.35Å; Y64-S66 PolarHBondContact O-N 2.97Å; Y64-S66 VanDerWaalsContact O-N 3.1Å | ||
| 65 | A | 91.5 | Very high | 89 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | trans | -79.6 | 90.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R9 Y54 C55 S56 S63 | R9-A65 PolarHBondContact NH2-O 3.17Å; Y54-A65 HydrophobicContact CD1-CB 3.78Å; Y54-A65 HydrophobicContact CG-CB 4.05Å; C55-A65 PolarHBondContact O-N 3.01Å; S56-A65 PolarHBondContact OG-O 2.89Å; S63-A65 PolarHBondContact O-N 2.96Å; S63-A65 VanDerWaalsContact O-N 3.12Å | ||
| 66 | S | 92.2 | Very high | 89 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | trans | -63.5 | 163.7 | 172.8 | 78.3 | 0 | 0 | 0 | 0 | 113 | Y64 K68 T69 V70 | Y64-S66 PolarHBondContact O-N 2.97Å; Y64-S66 VanDerWaalsContact O-N 3.1Å; S66-K68 PolarHBondContact O-N 3.29Å; S66-K68 PolarHBondContact OG-N 2.85Å; S66-T69 PolarHBondContact N-OG1 3.47Å; S66-T69 WeakPolarHBondContact O-CB 3.14Å; S66-T69 PolarHBondContact O-N 3.31Å; S66-T69 VanDerWaalsContact O-N 3.09Å; S66-T69 PolarHBondContact OG-N 3.01Å; S66-T69 PolarHBondContact OG-OG1 2.98Å; S66-V70 PolarHBondContact O-N 3.49Å; S66-V70 VanDerWaalsContact O-N 3.16Å | ||
| 67 | Q | 92.1 | Very high | 89.1 | Confident | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.028 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -54 | -39 | 171.8 | -66.5 | -76.7 | 77.6 | 0 | 0 | 112.4 | R9 Y71 F102 D112 Q118 | R9-Q67 VanDerWaalsContact CZ-OE1 3.29Å; Q67-Y71 WeakPolarHBondContact O-CB 3.1Å; Q67-Y71 PolarHBondContact O-N 3Å; Q67-F102 HydrophobicContact CG-CE1 4.19Å; Q67-F102 HydrophobicContact CG-CZ 3.98Å; Q67-F102 PolarHBondContact NE2-O 3.27Å; Q67-D112 PolarHBondContact NE2-O 3.07Å; Q67-Q118 PolarHBondContact O-NE2 3.33Å |
| 68 | K | 91.6 | Very high | 89.5 | Confident | 135 Ų | 135 | 57 Ų | 57 | 59% | 0.587 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -69.7 | -34.9 | 177.9 | -169.5 | 173.3 | -175.7 | 174 | 0 | 112.5 | S66 Y71 N72 | S66-K68 PolarHBondContact O-N 3.29Å; S66-K68 PolarHBondContact OG-N 2.85Å; K68-Y71 PolarHBondContact O-N 3.25Å; K68-N72 WeakPolarHBondContact O-CB 3.41Å; K68-N72 PolarHBondContact O-N 3.3Å; K68-N72 PolarHBondContact O-ND2 3.12Å; K68-N72 PolarHBondContact O-OD1 3.17Å |
| 69 | T | 92.4 | Very high | 90.1 | Very high | 48 Ų | 48 | 53.2 Ų | 53.2 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.9 | -53.6 | 174.2 | -46.2 | 0 | 0 | 0 | 0 | 110.2 | S66 Y71 N72 D73 | S66-T69 PolarHBondContact N-OG1 3.47Å; S66-T69 WeakPolarHBondContact O-CB 3.14Å; S66-T69 PolarHBondContact O-N 3.31Å; S66-T69 VanDerWaalsContact O-N 3.09Å; S66-T69 PolarHBondContact OG-N 3.01Å; S66-T69 PolarHBondContact OG-OG1 2.98Å; T69-Y71 VanDerWaalsContact C-N 3.27Å; T69-Y71 PolarHBondContact O-N 3.14Å; T69-N72 PolarHBondContact O-N 2.67Å; T69-N72 VanDerWaalsContact O-N 3.12Å; T69-D73 PolarHBondContact O-N 2.9Å |
| 70 | V | 94.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.1 | -36 | 179 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | Y54 S66 L74 T103 I115 I327 | Y54-V70 HydrophobicContact CD1-CG2 4Å; Y54-V70 HydrophobicContact CD2-CG1 4.35Å; Y54-V70 HydrophobicContact CD2-CG2 3.89Å; Y54-V70 HydrophobicContact CE1-CG2 4.15Å; Y54-V70 HydrophobicContact CE2-CB 4.37Å; Y54-V70 HydrophobicContact CE2-CG1 3.89Å; Y54-V70 HydrophobicContact CE2-CG2 4.03Å; Y54-V70 HydrophobicContact CG-CG2 3.87Å; S66-V70 PolarHBondContact O-N 3.49Å; S66-V70 VanDerWaalsContact O-N 3.16Å; V70-L74 PolarHBondContact O-N 3.45Å; V70-T103 HydrophobicContact CG1-CG2 4.03Å; V70-I115 HydrophobicContact CG1-CD1 4.2Å; V70-I327 HydrophobicContact CG1-CD1 4.35Å |
| 71 | Y | 95 | Very high | 91.3 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -69.3 | -41 | 174.5 | 178.5 | -104.8 | 0 | 0 | 0 | 113 | Q67 K68 T69 G75 L76 I115 Q118 F119 D122 | Q67-Y71 WeakPolarHBondContact O-CB 3.1Å; Q67-Y71 PolarHBondContact O-N 3Å; K68-Y71 PolarHBondContact O-N 3.25Å; T69-Y71 VanDerWaalsContact C-N 3.27Å; T69-Y71 PolarHBondContact O-N 3.14Å; Y71-G75 CarbonylContact O-C 3.5Å; Y71-G75 WeakPolarHBondContact O-CA 3.34Å; Y71-G75 PolarHBondContact O-N 3.08Å; Y71-L76 HydrophobicContact CD1-CG 4.41Å; Y71-L76 HydrophobicContact CE1-CD2 3.6Å; Y71-L76 HydrophobicContact CE1-CG 3.88Å; Y71-L76 PolarHBondContact O-N 3.36Å; Y71-I115 HydrophobicContact CD2-CG2 4.45Å; Y71-Q118 HydrophobicContact CD1-CB 3.85Å; Y71-Q118 HydrophobicContact CD1-CG 4.46Å; Y71-Q118 HydrophobicContact CD2-CB 3.64Å; Y71-Q118 HydrophobicContact CE1-CB 4.03Å; Y71-Q118 HydrophobicContact CE2-CB 3.85Å; Y71-Q118 HydrophobicContact CG-CB 3.68Å; Y71-Q118 HydrophobicContact CG-CG 4.33Å; Y71-F119 HydrophobicContact CE2-CB 3.89Å; Y71-F119 HydrophobicContact CE2-CD2 4.28Å; Y71-D122 WeakPolarHBondContact OH-CB 3.45Å |
| 72 | N | 94 | Very high | 91.9 | Very high | 72 Ų | 72 | 41.7 Ų | 41.7 | 39% | 0.385 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -63.2 | -46.1 | 177.8 | -72 | -12.4 | 0 | 0 | 0 | 111.9 | K68 T69 L74 L76 | K68-N72 WeakPolarHBondContact O-CB 3.41Å; K68-N72 PolarHBondContact O-N 3.3Å; K68-N72 PolarHBondContact O-ND2 3.12Å; K68-N72 PolarHBondContact O-OD1 3.17Å; T69-N72 PolarHBondContact O-N 2.67Å; T69-N72 VanDerWaalsContact O-N 3.12Å; N72-L74 PolarHBondContact O-N 3.23Å; N72-L76 HydrophobicContact CB-CD1 4.13Å |
| 73 | D | 92.3 | Very high | 92.5 | Very high | 58 Ų | 58 | 36 Ų | 36 | 31% | 0.31 | 19% | 0.185 | S | C | . | . | I | π-helix | trans | -77.4 | -20.2 | -170.4 | -69.4 | -19.2 | 0 | 0 | 0 | 114 | Y52 Y54 T69 | Y52-D73 HydrophobicContact CD1-CB 4.18Å; Y52-D73 HydrophobicContact CE1-CB 3.79Å; Y52-D73 PolarHBondContact OH-O 3.28Å; Y52-D73 VanDerWaalsContact OH-O 3.06Å; Y54-D73 HydrophobicContact CE1-CB 4.4Å; Y54-D73 WeakPolarHBondContact OH-CB 3.32Å; T69-D73 PolarHBondContact O-N 2.9Å |
| 74 | L | 92.8 | Very high | 93 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -129.8 | -44.1 | 179.9 | -70.6 | 169.7 | 0 | 0 | 0 | 113.5 | K5 A7 Y52 Y54 V70 N72 M78 A325 I327 | K5-L74 HydrophobicContact CD-CD2 4.45Å; A7-L74 HydrophobicContact CB-CD1 3.83Å; Y52-L74 HydrophobicContact CD2-CD2 3.94Å; Y52-L74 HydrophobicContact CD2-CG 4.24Å; Y52-L74 HydrophobicContact CE2-CD2 3.67Å; Y52-L74 HydrophobicContact CE2-CG 4.17Å; Y54-L74 HydrophobicContact CE2-CD1 4.08Å; V70-L74 PolarHBondContact O-N 3.45Å; N72-L74 PolarHBondContact O-N 3.23Å; L74-M78 WeakPolarHBondContact O-CB 3.5Å; L74-M78 VanDerWaalsContact O-CG 3.24Å; L74-M78 WeakPolarHBondContact O-CG 3.4Å; L74-M78 PolarHBondContact O-N 2.86Å; L74-M78 VanDerWaalsContact O-N 3.1Å; L74-A325 HydrophobicContact CD2-CB 4.42Å; L74-I327 HydrophobicContact CD1-CD1 3.95Å; L74-I327 HydrophobicContact CD1-CG1 4.02Å |
| 75 | G | 92.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -67.1 | -44.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y71 M78 L79 F119 | Y71-G75 CarbonylContact O-C 3.5Å; Y71-G75 WeakPolarHBondContact O-CA 3.34Å; Y71-G75 PolarHBondContact O-N 3.08Å; G75-M78 PolarHBondContact O-N 3.39Å; G75-L79 VanDerWaalsContact O-CB 3.31Å; G75-L79 WeakPolarHBondContact O-CB 3.41Å; G75-L79 PolarHBondContact O-N 3.34Å; G75-F119 WeakPolarHBondContact O-CE2 3.49Å |
| 76 | L | 93.8 | Very high | 92.9 | Very high | 47 Ų | 47 | 37.8 Ų | 37.8 | 25% | 0.246 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.3 | -39.8 | 179.9 | -70.5 | 176.9 | 0 | 0 | 0 | 113.3 | Y71 N72 L79 E80 D122 R126 | Y71-L76 HydrophobicContact CD1-CG 4.41Å; Y71-L76 HydrophobicContact CE1-CD2 3.6Å; Y71-L76 HydrophobicContact CE1-CG 3.88Å; Y71-L76 PolarHBondContact O-N 3.36Å; N72-L76 HydrophobicContact CB-CD1 4.13Å; L76-L79 PolarHBondContact O-N 2.91Å; L76-E80 WeakPolarHBondContact O-CB 3.39Å; L76-E80 PolarHBondContact O-N 3.15Å; L76-D122 WeakPolarHBondContact CD2-OD2 3.36Å; L76-R126 PolarHBondContact O-NH2 2.89Å |
| 77 | E | 93.7 | Very high | 92.9 | Very high | 52 Ų | 52 | 36.3 Ų | 36.3 | 24% | 0.243 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.9 | -43.6 | 175.7 | 178.5 | -169.5 | 169.9 | 0 | 0 | 111 | K5 L79 E80 H81 | K5-E77 WeakPolarHBondContact CE-OE1 3.4Å; K5-E77 IonicContact NZ-OE1 3.68Å; K5-E77 PolarHBondContact NZ-OE1 3.39Å; K5-E77 IonicContact NZ-OE2 2.74Å; K5-E77 PolarHBondContact NZ-OE2 3.04Å; E77-L79 VanDerWaalsContact C-N 3.33Å; E77-E80 PolarHBondContact O-N 3.4Å; E77-H81 PolarHBondContact O-N 2.79Å; E77-H81 PolarHBondContact O-ND1 2.88Å; E77-H81 IonicContact OE1-CE1 2.78Å; E77-H81 PolarHBondContact OE1-CE1 2.8Å |
| 78 | M | 94.5 | Very high | 93 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.02 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.8 | -33.6 | 177.8 | -72.4 | -59.6 | 167.3 | 0 | 0 | 111.7 | L74 G75 H81 A82 V88 I90 F119 K323 A325 | L74-M78 WeakPolarHBondContact O-CB 3.5Å; L74-M78 VanDerWaalsContact O-CG 3.24Å; L74-M78 WeakPolarHBondContact O-CG 3.4Å; L74-M78 PolarHBondContact O-N 2.86Å; L74-M78 VanDerWaalsContact O-N 3.1Å; G75-M78 PolarHBondContact O-N 3.39Å; M78-H81 PolarHBondContact O-N 3.25Å; M78-A82 PolarHBondContact O-N 2.84Å; M78-V88 HydrophobicContact CB-CG1 3.72Å; M78-V88 HydrophobicContact CG-CG1 4.27Å; M78-V88 WeakPolarHBondContact O-CG2 3.43Å; M78-V88 HydrophobicContact SD-CG1 4.05Å; M78-I90 HydrophobicContact CB-CD1 3.91Å; M78-I90 HydrophobicContact CB-CG1 4.33Å; M78-I90 HydrophobicContact CG-CD1 4.07Å; M78-I90 HydrophobicContact CG-CG1 4.14Å; M78-F119 HydrophobicContact CB-CE2 4.14Å; M78-K323 HydrophobicContact SD-CB 4.03Å; M78-A325 HydrophobicContact CE-CB 4.02Å |
| 79 | L | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.8 | -40.4 | 169.9 | -177.6 | 59.2 | 0 | 0 | 0 | 111.6 | G75 L76 E77 A82 F83 F119 D122 L123 | G75-L79 VanDerWaalsContact O-CB 3.31Å; G75-L79 WeakPolarHBondContact O-CB 3.41Å; G75-L79 PolarHBondContact O-N 3.34Å; L76-L79 PolarHBondContact O-N 2.91Å; E77-L79 VanDerWaalsContact C-N 3.33Å; L79-A82 PolarHBondContact O-N 2.85Å; L79-F83 HydrophobicContact CD1-CD2 4.11Å; L79-F83 HydrophobicContact CD1-CE2 3.81Å; L79-F83 HydrophobicContact CG-CD2 4.22Å; L79-F83 HydrophobicContact CG-CE2 4.13Å; L79-F83 WeakPolarHBondContact O-CD2 3.45Å; L79-F83 PolarHBondContact O-N 3.49Å; L79-F83 VanDerWaalsContact O-N 3.11Å; L79-F119 HydrophobicContact CB-CD2 4.19Å; L79-F119 HydrophobicContact CB-CE1 4.32Å; L79-F119 HydrophobicContact CB-CE2 3.7Å; L79-F119 HydrophobicContact CB-CZ 3.78Å; L79-F119 HydrophobicContact CD1-CD1 4.02Å; L79-F119 HydrophobicContact CD1-CE1 3.52Å; L79-F119 HydrophobicContact CD1-CE2 4.45Å; L79-F119 HydrophobicContact CD1-CZ 3.78Å; L79-F119 HydrophobicContact CG-CE1 4.47Å; L79-F119 HydrophobicContact CG-CZ 4.38Å; L79-D122 HydrophobicContact CD2-CB 3.59Å; L79-L123 HydrophobicContact CD1-CB 3.97Å; L79-L123 HydrophobicContact CD1-CD1 3.91Å |
| 80 | E | 94.2 | Very high | 93.3 | Very high | 103 Ų | 103 | 27.3 Ų | 27.3 | 48% | 0.481 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63.6 | -39.4 | 174.4 | -179.4 | 168.6 | -159.7 | 0 | 0 | 112.8 | L76 E77 A82 F83 H84 | L76-E80 WeakPolarHBondContact O-CB 3.39Å; L76-E80 PolarHBondContact O-N 3.15Å; E77-E80 PolarHBondContact O-N 3.4Å; E80-A82 VanDerWaalsContact C-N 3.31Å; E80-A82 PolarHBondContact O-N 2.8Å; E80-F83 PolarHBondContact O-N 2.86Å; E80-H84 PolarHBondContact O-N 3.3Å; E80-H84 PolarHBondContact O-ND1 2.91Å; E80-H84 IonicContact OE1-CE1 3.65Å |
| 81 | H | 93.7 | Very high | 93.4 | Very high | 32 Ų | 32 | 27.4 Ų | 27.4 | 15% | 0.148 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.6 | -38 | 173.2 | -77.3 | 120.9 | 0 | 0 | 0 | 113 | E77 M78 H84 G85 Y86 V88 K323 | E77-H81 PolarHBondContact O-N 2.79Å; E77-H81 PolarHBondContact O-ND1 2.88Å; E77-H81 IonicContact OE1-CE1 2.78Å; E77-H81 PolarHBondContact OE1-CE1 2.8Å; M78-H81 PolarHBondContact O-N 3.25Å; H81-H84 PolarHBondContact O-N 2.97Å; H81-G85 PolarHBondContact O-N 2.88Å; H81-Y86 WeakPolarHBondContact O-CB 3.48Å; H81-Y86 WeakPolarHBondContact O-CD2 3.4Å; H81-Y86 PolarHBondContact O-N 2.94Å; H81-Y86 VanDerWaalsContact O-N 3.1Å; H81-V88 HydrophobicContact CB-CG2 3.81Å; H81-K323 HydrophobicContact CB-CB 4.42Å; H81-K323 HydrophobicContact CB-CG 4.19Å; H81-K323 PolarHBondContact CD2-NZ 3.07Å; H81-K323 PolarHBondContact NE2-NZ 2.74Å |
| 82 | A | 93.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.9 | -40.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M78 L79 E80 H84 G85 V88 S241 I243 | M78-A82 PolarHBondContact O-N 2.84Å; L79-A82 PolarHBondContact O-N 2.85Å; E80-A82 VanDerWaalsContact C-N 3.31Å; E80-A82 PolarHBondContact O-N 2.8Å; A82-H84 PolarHBondContact O-N 3.25Å; A82-G85 PolarHBondContact O-N 2.88Å; A82-V88 HydrophobicContact CB-CG2 4.15Å; A82-S241 WeakPolarHBondContact O-CB 3.5Å; A82-S241 PolarHBondContact O-OG 3.25Å; A82-I243 HydrophobicContact CB-CD1 3.83Å; A82-I243 HydrophobicContact CB-CG1 3.73Å |
| 83 | F | 93.2 | Very high | 93.4 | Very high | 30 Ų | 30 | 24.2 Ų | 24.2 | 13% | 0.132 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65 | -25 | 173 | -84.8 | -79.7 | 0 | 0 | 0 | 113.2 | L79 E80 G85 L123 R126 I127 Y139 L224 Q226 | L79-F83 HydrophobicContact CD1-CD2 4.11Å; L79-F83 HydrophobicContact CD1-CE2 3.81Å; L79-F83 HydrophobicContact CG-CD2 4.22Å; L79-F83 HydrophobicContact CG-CE2 4.13Å; L79-F83 WeakPolarHBondContact O-CD2 3.45Å; L79-F83 PolarHBondContact O-N 3.49Å; L79-F83 VanDerWaalsContact O-N 3.11Å; E80-F83 PolarHBondContact O-N 2.86Å; F83-G85 VanDerWaalsContact C-N 3.26Å; F83-G85 PolarHBondContact O-N 2.74Å; F83-L123 HydrophobicContact CE2-CD1 3.81Å; F83-L123 HydrophobicContact CZ-CD1 3.86Å; F83-R126 HydrophobicContact CE1-CB 4.25Å; F83-R126 HydrophobicContact CE2-CB 3.61Å; F83-R126 HydrophobicContact CE2-CG 4.2Å; F83-R126 HydrophobicContact CZ-CB 3.44Å; F83-R126 VanDerWaalsContact CZ-CB 3.44Å; F83-R126 HydrophobicContact CZ-CG 4.49Å; F83-I127 HydrophobicContact CE1-CG1 4.29Å; F83-I127 HydrophobicContact CZ-CG1 4.04Å; F83-Y139 HydrophobicContact CD1-CE1 4.18Å; F83-Y139 AromaticContact CE1-CE1 3.73Å; F83-Y139 HydrophobicContact CE1-CE1 3.73Å; F83-L224 HydrophobicContact CD1-CD2 4.27Å; F83-L224 HydrophobicContact CE1-CD2 4.27Å; F83-L224 HydrophobicContact CG-CD2 4.42Å; F83-L224 HydrophobicContact CZ-CD2 4.4Å; F83-Q226 PolarHBondContact O-NE2 3Å; F83-Q226 PolarHBondContact O-OE1 2.99Å |
| 84 | H | 90.9 | Very high | 93.4 | Very high | 101 Ų | 101 | 21.5 Ų | 21.5 | 47% | 0.468 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -4.4 | 171.5 | -76.6 | 91.1 | 0 | 0 | 0 | 114.5 | E80 H81 A82 Y86 | E80-H84 PolarHBondContact O-N 3.3Å; E80-H84 PolarHBondContact O-ND1 2.91Å; E80-H84 IonicContact OE1-CE1 3.65Å; H81-H84 PolarHBondContact O-N 2.97Å; A82-H84 PolarHBondContact O-N 3.25Å; H84-Y86 HydrophobicContact CB-CD2 3.78Å; H84-Y86 HydrophobicContact CB-CE2 3.85Å |
| 85 | G | 87.5 | Confident | 93.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | 10.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | H81 A82 F83 S241 N360 | H81-G85 PolarHBondContact O-N 2.88Å; A82-G85 PolarHBondContact O-N 2.88Å; F83-G85 VanDerWaalsContact C-N 3.26Å; F83-G85 PolarHBondContact O-N 2.74Å; G85-S241 WeakPolarHBondContact CA-OG 3.29Å; G85-S241 PolarHBondContact O-OG 3.37Å; G85-N360 PolarHBondContact O-N 3.38Å; G85-N360 PolarHBondContact O-ND2 3.44Å |
| 86 | Y | 91 | Very high | 92.8 | Very high | 60 Ų | 60 | 22.1 Ų | 22.1 | 24% | 0.235 | 10% | 0.103 | C | C | . | . | B | Isolated β-bridge | trans | -87.8 | 147.4 | 176 | -62.9 | -79.2 | 0 | 0 | 0 | 111.8 | H81 H84 S241 K323 A357 V358 V359 | H81-Y86 WeakPolarHBondContact O-CB 3.48Å; H81-Y86 WeakPolarHBondContact O-CD2 3.4Å; H81-Y86 PolarHBondContact O-N 2.94Å; H81-Y86 VanDerWaalsContact O-N 3.1Å; H84-Y86 HydrophobicContact CB-CD2 3.78Å; H84-Y86 HydrophobicContact CB-CE2 3.85Å; Y86-S241 PolarHBondContact N-OG 3Å; Y86-S241 WeakPolarHBondContact O-CB 3.46Å; Y86-S241 PolarHBondContact O-OG 3.06Å; Y86-K323 HydrophobicContact CG-CG 4.39Å; Y86-A357 HydrophobicContact CD1-CB 3.75Å; Y86-A357 HydrophobicContact CE1-CB 4.26Å; Y86-V358 VanDerWaalsContact CD1-C 3.41Å; Y86-V358 VanDerWaalsContact CD1-O 3.25Å; Y86-V358 WeakPolarHBondContact CD1-O 3.4Å; Y86-V359 HydrophobicContact CD1-CG2 4.43Å; Y86-V359 HydrophobicContact CE1-CG2 3.86Å; Y86-V359 HydrophobicContact CE2-CG2 4.03Å |
| 87 | N | 92.3 | Very high | 92.4 | Very high | 9 Ų | 9 | 21.6 Ų | 21.6 | 5% | 0.048 | 11% | 0.108 | C | C | . | . | trans | -69.3 | 150.7 | 162.3 | -59.3 | -43.7 | 0 | 0 | 0 | 110.1 | R242 N321 S322 K323 N360 | N87-R242 WeakPolarHBondContact CA-O 3.34Å; N87-R242 WeakPolarHBondContact OD1-CB 3.41Å; N87-R242 PolarHBondContact OD1-N 2.81Å; N87-N321 WeakPolarHBondContact CB-O 3.23Å; N87-N321 PolarHBondContact ND2-ND2 2.77Å; N87-N321 PolarHBondContact ND2-O 3.1Å; N87-N321 VanDerWaalsContact ND2-O 3.13Å; N87-S322 WeakPolarHBondContact O-CA 3.39Å; N87-S322 PolarHBondContact O-OG 2.88Å; N87-K323 PolarHBondContact O-N 2.66Å; N87-N360 PolarHBondContact N-ND2 2.89Å; N87-N360 PolarHBondContact ND2-ND2 2.89Å; N87-N360 PolarHBondContact OD1-ND2 3.02Å | ||
| 88 | V | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 140.4 | -169.3 | 167.7 | 0 | 0 | 0 | 0 | 109.5 | M78 H81 A82 R242 I243 C244 S322 K323 | M78-V88 HydrophobicContact CB-CG1 3.72Å; M78-V88 HydrophobicContact CG-CG1 4.27Å; M78-V88 WeakPolarHBondContact O-CG2 3.43Å; M78-V88 HydrophobicContact SD-CG1 4.05Å; H81-V88 HydrophobicContact CB-CG2 3.81Å; A82-V88 HydrophobicContact CB-CG2 4.15Å; V88-R242 PolarHBondContact N-O 2.95Å; V88-I243 HydrophobicContact CB-CG1 4.27Å; V88-I243 HydrophobicContact CB-CG2 4.43Å; V88-I243 HydrophobicContact CG1-CG2 4.15Å; V88-I243 CarbonylContact O-C 3.57Å; V88-I243 WeakPolarHBondContact O-CA 3.35Å; V88-C244 PolarHBondContact O-N 2.79Å; V88-S322 PolarHBondContact N-OG 2.77Å; V88-K323 CarbonylContact C-O 3.56Å; V88-K323 VanDerWaalsContact CA-O 3.31Å; V88-K323 WeakPolarHBondContact CA-O 3.4Å; V88-K323 HydrophobicContact CG2-CB 4.46Å |
| 89 | C | 95 | Very high | 92 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 134.4 | 171.6 | -177.8 | 0 | 0 | 0 | 0 | 112.4 | C244 N317 K323 T324 A325 | C89-C244 VanDerWaalsContact CA-O 3.24Å; C89-C244 WeakPolarHBondContact CA-O 3.43Å; C89-C244 HydrophobicContact CB-CB 4.22Å; C89-C244 PolarHBondContact SG-O 3.48Å; C89-N317 HydrophobicContact CB-CB 3.86Å; C89-N317 VanDerWaalsContact CB-CG 3.49Å; C89-N317 WeakPolarHBondContact CB-OD1 3.49Å; C89-K323 PolarHBondContact N-O 2.71Å; C89-T324 HydrophobicContact CB-CG2 4.19Å; C89-T324 CarbonylContact O-C 3.57Å; C89-T324 VanDerWaalsContact O-CA 3.31Å; C89-T324 WeakPolarHBondContact O-CA 3.42Å; C89-A325 PolarHBondContact O-N 2.75Å |
| 90 | I | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 121.8 | 171.6 | -53.2 | 178.8 | 0 | 0 | 0 | 107.2 | M78 M104 I115 C244 L245 V246 A325 I327 | M78-I90 HydrophobicContact CB-CD1 3.91Å; M78-I90 HydrophobicContact CB-CG1 4.33Å; M78-I90 HydrophobicContact CG-CD1 4.07Å; M78-I90 HydrophobicContact CG-CG1 4.14Å; I90-M104 HydrophobicContact CG2-CE 4.31Å; I90-M104 HydrophobicContact CG2-SD 4.31Å; I90-I115 HydrophobicContact CD1-CG2 4.04Å; I90-I115 HydrophobicContact CG2-CD1 4.43Å; I90-C244 PolarHBondContact N-O 3.28Å; I90-L245 HydrophobicContact CB-CD2 3.88Å; I90-L245 HydrophobicContact CD1-CD2 3.94Å; I90-L245 HydrophobicContact CG1-CD2 3.96Å; I90-L245 WeakPolarHBondContact O-CA 3.4Å; I90-V246 PolarHBondContact O-N 2.88Å; I90-A325 WeakPolarHBondContact CA-O 3.25Å; I90-I327 HydrophobicContact CG2-CD1 3.99Å; I90-I327 HydrophobicContact CG2-CG1 4.38Å |
| 91 | F | 94.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 1% | 0.013 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.1 | 178 | 68.3 | -90.7 | 0 | 0 | 0 | 113.1 | V246 L248 L318 T324 A325 M326 I327 | F91-V246 WeakPolarHBondContact CA-O 3.26Å; F91-V246 HydrophobicContact CB-CB 3.8Å; F91-V246 HydrophobicContact CB-CG1 4.35Å; F91-V246 HydrophobicContact CB-CG2 4.49Å; F91-L248 HydrophobicContact CD2-CD1 3.87Å; F91-L318 HydrophobicContact CE1-CD2 4.16Å; F91-L318 HydrophobicContact CZ-CD2 4.42Å; F91-T324 HydrophobicContact CD1-CG2 4.09Å; F91-T324 HydrophobicContact CE1-CG2 3.77Å; F91-A325 WeakPolarHBondContact CD1-O 3.28Å; F91-A325 PolarHBondContact N-O 3.18Å; F91-M326 HydrophobicContact CD2-CB 4.42Å; F91-M326 HydrophobicContact CD2-CG 4.1Å; F91-M326 HydrophobicContact CE1-CB 4.02Å; F91-M326 HydrophobicContact CE2-CB 3.81Å; F91-M326 HydrophobicContact CE2-CG 3.48Å; F91-M326 VanDerWaalsContact CE2-CG 3.48Å; F91-M326 HydrophobicContact CE2-SD 3.89Å; F91-M326 HydrophobicContact CZ-CB 3.59Å; F91-M326 HydrophobicContact CZ-CG 3.77Å; F91-M326 HydrophobicContact CZ-SD 4.09Å; F91-M326 WeakPolarHBondContact O-CA 3.28Å; F91-I327 PolarHBondContact O-N 2.95Å |
| 92 | A | 95.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 135 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K100 M104 V246 L248 I327 | A92-K100 HydrophobicContact CB-CB 3.9Å; A92-K100 HydrophobicContact CB-CG 4.27Å; A92-M104 HydrophobicContact CB-CG 3.54Å; A92-M104 HydrophobicContact CB-SD 3.93Å; A92-V246 PolarHBondContact N-O 3.4Å; A92-L248 VanDerWaalsContact O-CB 3.26Å; A92-L248 WeakPolarHBondContact O-CB 3.34Å; A92-L248 WeakPolarHBondContact O-CD1 3.45Å; A92-L248 VanDerWaalsContact O-CG 3.29Å; A92-L248 WeakPolarHBondContact O-CG 3.46Å; A92-L248 PolarHBondContact O-N 2.9Å; A92-I327 CarbonylContact C-O 3.6Å; A92-I327 WeakPolarHBondContact CA-O 3.27Å |
| 93 | Y | 94.6 | Very high | 91.6 | Very high | 8 Ų | 8 | 18.7 Ų | 18.7 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 162 | -177.4 | -179.8 | -97.9 | 0 | 0 | 0 | 111.2 | L248 S251 L274 M326 I327 A328 A329 T343 Y346 | Y93-L248 HydrophobicContact CD2-CD1 3.93Å; Y93-S251 WeakPolarHBondContact OH-CB 3.44Å; Y93-L274 HydrophobicContact CD2-CD2 4.43Å; Y93-L274 HydrophobicContact CE2-CD2 4.2Å; Y93-M326 HydrophobicContact CD1-CE 3.45Å; Y93-M326 VanDerWaalsContact CD1-CE 3.45Å; Y93-M326 HydrophobicContact CE1-CE 4.37Å; Y93-M326 HydrophobicContact CG-CE 3.77Å; Y93-I327 PolarHBondContact N-O 2.92Å; Y93-A328 WeakPolarHBondContact O-CA 3.2Å; Y93-A329 PolarHBondContact O-N 2.83Å; Y93-T343 HydrophobicContact CD1-CG2 4.1Å; Y93-T343 HydrophobicContact CE1-CG2 4.29Å; Y93-Y346 AromaticContact CD1-CD1 3.93Å; Y93-Y346 HydrophobicContact CD1-CD1 3.93Å; Y93-Y346 HydrophobicContact CD1-CE1 4.29Å; Y93-Y346 HydrophobicContact CD1-CG 4.29Å; Y93-Y346 HydrophobicContact CD2-CE1 4.2Å; Y93-Y346 AromaticContact CE1-CD1 3.6Å; Y93-Y346 HydrophobicContact CE1-CD1 3.6Å; Y93-Y346 AromaticContact CE1-CD2 3.97Å; Y93-Y346 HydrophobicContact CE1-CD2 3.97Å; Y93-Y346 HydrophobicContact CE1-CE1 4.03Å; Y93-Y346 HydrophobicContact CE1-CE2 4.39Å; Y93-Y346 AromaticContact CE1-CG 3.53Å; Y93-Y346 HydrophobicContact CE1-CG 3.53Å; Y93-Y346 HydrophobicContact CE2-CD1 4.35Å; Y93-Y346 AromaticContact CE2-CE1 3.93Å; Y93-Y346 HydrophobicContact CE2-CE1 3.93Å; Y93-Y346 HydrophobicContact CE2-CE2 4.13Å; Y93-Y346 AromaticContact CE2-CZ 3.79Å; Y93-Y346 HydrophobicContact CG-CD1 4.44Å; Y93-Y346 HydrophobicContact CG-CE1 4.38Å; Y93-Y346 AromaticContact CZ-CD1 3.83Å; Y93-Y346 AromaticContact CZ-CD2 3.66Å; Y93-Y346 AromaticContact CZ-CE1 3.84Å; Y93-Y346 AromaticContact CZ-CE2 3.7Å; Y93-Y346 AromaticContact CZ-CG 3.71Å; Y93-Y346 AromaticContact CZ-CZ 3.76Å; Y93-Y346 VanDerWaalsContact OH-CD2 3.22Å; Y93-Y346 WeakPolarHBondContact OH-CD2 3.32Å; Y93-Y346 VanDerWaalsContact OH-CE2 3.31Å; Y93-Y346 WeakPolarHBondContact OH-CE2 3.19Å |
| 94 | G | 91.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 123.2 | 178.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | K100 S251 | G94-K100 WeakPolarHBondContact O-CD 3.4Å; G94-K100 PolarHBondContact O-NZ 3.34Å; G94-S251 PolarHBondContact O-N 3.35Å; G94-S251 VanDerWaalsContact O-N 3.11Å; G94-S251 PolarHBondContact O-OG 3.43Å |
| 95 | Q | 88.8 | Confident | 91.5 | Very high | 8 Ų | 8 | 14.2 Ų | 14.2 | 4% | 0.037 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -66.2 | 163.1 | -174.8 | 66.2 | 177.4 | 100.7 | 0 | 0 | 113 | A98 K100 S251 E252 N336 E339 | Q95-A98 HydrophobicContact CG-CB 3.79Å; Q95-A98 VanDerWaalsContact O-CB 3.26Å; Q95-A98 WeakPolarHBondContact O-CB 3.24Å; Q95-A98 PolarHBondContact O-N 3.11Å; Q95-K100 VanDerWaalsContact C-NZ 3.34Å; Q95-K100 PolarHBondContact O-NZ 3.45Å; Q95-S251 WeakPolarHBondContact CA-OG 3.35Å; Q95-S251 PolarHBondContact N-OG 3.5Å; Q95-E252 VanDerWaalsContact CA-OE2 3.31Å; Q95-E252 WeakPolarHBondContact CA-OE2 3.49Å; Q95-N336 PolarHBondContact NE2-OD1 3.23Å; Q95-E339 HydrophobicContact CB-CB 4.38Å |
| 96 | T | 85.2 | Confident | 91.6 | Very high | 7 Ų | 7 | 15.1 Ų | 15.1 | 4% | 0.043 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 141.2 | 168.1 | -68.8 | 0 | 0 | 0 | 0 | 110.7 | A98 M209 N210 S214 G250 E252 | T96-A98 PolarHBondContact O-N 3.11Å; T96-M209 WeakPolarHBondContact CG2-O 3.44Å; T96-N210 HydrophobicContact CG2-CB 3.72Å; T96-S214 VanDerWaalsContact CG2-CB 3.4Å; T96-S214 WeakPolarHBondContact OG1-CB 3.48Å; T96-G250 WeakPolarHBondContact OG1-CA 3.36Å; T96-E252 WeakPolarHBondContact CB-OE1 3.47Å; T96-E252 PolarHBondContact N-OE2 2.89Å; T96-E252 PolarHBondContact OG1-OE1 2.72Å; T96-E252 PolarHBondContact OG1-OE2 3.1Å |
| 97 | G | 84.3 | Confident | 91.2 | Very high | 35 Ų | 35 | 17.3 Ų | 17.3 | 36% | 0.361 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | -2.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | R11 G99 | R11-G97 PolarHBondContact NE-O 3.2Å; R11-G97 PolarHBondContact NH2-O 3.15Å; G97-G99 VanDerWaalsContact C-N 3.31Å; G97-G99 PolarHBondContact O-N 3.36Å |
| 98 | A | 90.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -74.3 | -13.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q95 T96 A329 | Q95-A98 HydrophobicContact CG-CB 3.79Å; Q95-A98 VanDerWaalsContact O-CB 3.26Å; Q95-A98 WeakPolarHBondContact O-CB 3.24Å; Q95-A98 PolarHBondContact O-N 3.11Å; T96-A98 PolarHBondContact O-N 3.11Å; A98-A329 HydrophobicContact CB-CB 4.1Å; A98-A329 VanDerWaalsContact CB-O 3.29Å; A98-A329 WeakPolarHBondContact CB-O 3.48Å |
| 99 | G | 90.2 | Very high | 89 | Confident | 16 Ų | 16 | 26.6 Ų | 26.6 | 17% | 0.165 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 110.6 | 16.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | G97 F102 T103 | G97-G99 VanDerWaalsContact C-N 3.31Å; G97-G99 PolarHBondContact O-N 3.36Å; G99-F102 PolarHBondContact O-N 3.48Å; G99-T103 PolarHBondContact O-N 2.95Å; G99-T103 PolarHBondContact O-OG1 3.07Å |
| 100 | K | 92.6 | Very high | 87.8 | Confident | 12 Ų | 12 | 29.2 Ų | 29.2 | 5% | 0.052 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.2 | -64.5 | 175.4 | -60.3 | -168.4 | -63.7 | -76.6 | 0 | 112.2 | A92 G94 Q95 F102 T103 M104 D247 L248 A249 A329 | A92-K100 HydrophobicContact CB-CB 3.9Å; A92-K100 HydrophobicContact CB-CG 4.27Å; G94-K100 WeakPolarHBondContact O-CD 3.4Å; G94-K100 PolarHBondContact O-NZ 3.34Å; Q95-K100 VanDerWaalsContact C-NZ 3.34Å; Q95-K100 PolarHBondContact O-NZ 3.45Å; K100-F102 VanDerWaalsContact C-N 3.25Å; K100-F102 PolarHBondContact O-N 3.49Å; K100-T103 PolarHBondContact O-N 2.81Å; K100-M104 PolarHBondContact O-N 3.47Å; K100-D247 VanDerWaalsContact C-OD1 3.32Å; K100-D247 VanDerWaalsContact CB-OD1 3.28Å; K100-D247 WeakPolarHBondContact CB-OD1 3.5Å; K100-L248 WeakPolarHBondContact CE-O 3.33Å; K100-A249 WeakPolarHBondContact CE-O 3.47Å; K100-A249 PolarHBondContact NZ-O 3.09Å; K100-A329 HydrophobicContact CG-CB 4.04Å |
| 101 | S | 89.5 | Confident | 86.9 | Confident | 32 Ų | 32 | 37 Ų | 37 | 22% | 0.224 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.6 | -29.7 | 179 | -42 | 0 | 0 | 0 | 0 | 112.8 | M105 G106 S213 D247 | S101-M105 WeakPolarHBondContact O-CA 3.16Å; S101-M105 WeakPolarHBondContact O-CB 3.27Å; S101-M105 PolarHBondContact O-N 3.25Å; S101-G106 PolarHBondContact O-N 3.2Å; S101-G106 VanDerWaalsContact O-N 3.13Å; S101-S213 PolarHBondContact OG-OG 2.9Å; S101-D247 WeakPolarHBondContact CA-OD1 3.49Å; S101-D247 WeakPolarHBondContact CB-OD2 3.5Å; S101-D247 PolarHBondContact N-OD1 3.22Å; S101-D247 VanDerWaalsContact N-OD1 3.1Å; S101-D247 PolarHBondContact OG-OD1 3.17Å; S101-D247 PolarHBondContact OG-OD2 2.93Å |
| 102 | F | 91.5 | Very high | 86.3 | Confident | 68 Ų | 68 | 39.2 Ų | 39.2 | 30% | 0.298 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.6 | -35.9 | 171.9 | -179.9 | -103.1 | 0 | 0 | 0 | 112.2 | Q67 G99 K100 G106 K107 | Q67-F102 HydrophobicContact CG-CE1 4.19Å; Q67-F102 HydrophobicContact CG-CZ 3.98Å; Q67-F102 PolarHBondContact NE2-O 3.27Å; G99-F102 PolarHBondContact O-N 3.48Å; K100-F102 VanDerWaalsContact C-N 3.25Å; K100-F102 PolarHBondContact O-N 3.49Å; F102-G106 WeakPolarHBondContact O-CA 3.39Å; F102-G106 PolarHBondContact O-N 3.37Å; F102-G106 VanDerWaalsContact O-N 3.08Å; F102-K107 HydrophobicContact CE2-CG 4.38Å |
| 103 | T | 93.9 | Very high | 86 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -76.8 | -39.2 | 176.8 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | R9 V70 G99 K100 I115 I327 | R9-T103 PolarHBondContact NH1-OG1 3.27Å; V70-T103 HydrophobicContact CG1-CG2 4.03Å; G99-T103 PolarHBondContact O-N 2.95Å; G99-T103 PolarHBondContact O-OG1 3.07Å; K100-T103 PolarHBondContact O-N 2.81Å; T103-I115 HydrophobicContact CG2-CD1 3.97Å; T103-I115 WeakPolarHBondContact O-CG1 3.46Å; T103-I115 PolarHBondContact O-N 2.85Å; T103-I327 HydrophobicContact CG2-CD1 4.05Å; T103-I327 HydrophobicContact CG2-CG2 4.22Å |
| 104 | M | 93.5 | Very high | 85.9 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -77.4 | -48.2 | -179.3 | -62.3 | -55 | -67.8 | 0 | 0 | 113 | I90 A92 K100 G114 I115 I116 L245 D247 | I90-M104 HydrophobicContact CG2-CE 4.31Å; I90-M104 HydrophobicContact CG2-SD 4.31Å; A92-M104 HydrophobicContact CB-CG 3.54Å; A92-M104 HydrophobicContact CB-SD 3.93Å; K100-M104 PolarHBondContact O-N 3.47Å; M104-G114 CarbonylContact O-C 3.54Å; M104-I115 PolarHBondContact O-N 3.36Å; M104-I115 VanDerWaalsContact O-N 3.16Å; M104-I115 HydrophobicContact SD-CD1 4.4Å; M104-I116 HydrophobicContact CB-CD1 4.02Å; M104-I116 HydrophobicContact CE-CD1 4.41Å; M104-I116 HydrophobicContact CE-CG1 4.32Å; M104-I116 WeakPolarHBondContact O-CB 3.31Å; M104-I116 VanDerWaalsContact O-CG1 3.28Å; M104-I116 WeakPolarHBondContact O-CG1 3.5Å; M104-I116 PolarHBondContact O-N 3.45Å; M104-L245 HydrophobicContact CE-CB 3.95Å; M104-D247 HydrophobicContact CB-CB 4.33Å; M104-D247 HydrophobicContact CG-CB 4.23Å |
| 105 | M | 90.1 | Very high | 86 | Confident | 36 Ų | 36 | 40.9 Ų | 40.9 | 18% | 0.177 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -40.9 | -175.9 | -162.7 | 64.4 | 67.5 | 0 | 0 | 112.8 | S101 G114 I116 I195 | S101-M105 WeakPolarHBondContact O-CA 3.16Å; S101-M105 WeakPolarHBondContact O-CB 3.27Å; S101-M105 PolarHBondContact O-N 3.25Å; M105-G114 WeakPolarHBondContact O-CA 3.09Å; M105-G114 PolarHBondContact O-N 3.29Å; M105-I116 HydrophobicContact CE-CD1 3.88Å; M105-I195 HydrophobicContact CE-CG2 3.87Å; M105-I195 HydrophobicContact SD-CG2 3.5Å; M105-I195 VanDerWaalsContact SD-CG2 3.5Å |
| 106 | G | 88.6 | Confident | 86.2 | Confident | 18 Ų | 18 | 40.8 Ų | 40.8 | 19% | 0.186 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | 74.2 | -156.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S101 F102 D112 | S101-G106 PolarHBondContact O-N 3.2Å; S101-G106 VanDerWaalsContact O-N 3.13Å; F102-G106 WeakPolarHBondContact O-CA 3.39Å; F102-G106 PolarHBondContact O-N 3.37Å; F102-G106 VanDerWaalsContact O-N 3.08Å; G106-D112 WeakPolarHBondContact CA-O 3.17Å |
| 107 | K | 83.2 | Confident | 86.6 | Confident | 107 Ų | 107 | 40.9 Ų | 40.9 | 47% | 0.465 | 25% | 0.254 | S | S | . | . | trans | -84.1 | 146.7 | 167.6 | -63.6 | 179.7 | -169.3 | 159.3 | 0 | 109.1 | F102 S109 D112 Q113 | F102-K107 HydrophobicContact CE2-CG 4.38Å; K107-S109 VanDerWaalsContact C-N 3.28Å; K107-S109 PolarHBondContact O-N 3.06Å; K107-D112 HydrophobicContact CB-CB 3.9Å; K107-D112 HydrophobicContact CD-CB 3.72Å; K107-D112 WeakPolarHBondContact CD-OD2 3.32Å; K107-D112 VanDerWaalsContact CE-OD2 3.27Å; K107-D112 WeakPolarHBondContact CE-OD2 3.35Å; K107-D112 HydrophobicContact CG-CB 3.89Å; K107-D112 PolarHBondContact N-O 3.4Å; K107-D112 IonicContact NZ-OD2 2.85Å; K107-D112 PolarHBondContact NZ-OD2 3.35Å; K107-Q113 WeakPolarHBondContact O-CG 3.46Å | ||
| 108 | P | 70.7 | Confident | 87 | Confident | 107 Ų | 107 | 40.5 Ų | 40.5 | 70% | 0.695 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -64.7 | -31.8 | -178.8 | 25 | -34 | 0 | 0 | 0 | 112.9 | Q113 | P108-Q113 PolarHBondContact O-NE2 2.94Š|
| 109 | S | 68.3 | Low | 87.2 | Confident | 97 Ų | 97 | 40.5 Ų | 40.5 | 68% | 0.678 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -128.4 | 146.1 | -175.6 | -48.7 | 0 | 0 | 0 | 0 | 112.1 | K107 | K107-S109 VanDerWaalsContact C-N 3.28Å; K107-S109 PolarHBondContact O-N 3.06Å |
| 110 | G | 71.5 | Confident | 87.4 | Confident | 54 Ų | 54 | 39.7 Ų | 39.7 | 56% | 0.557 | 23% | 0.234 | S | C | * | . | S | Bend | trans | 92 | -178.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D112 | G110-D112 PolarHBondContact O-N 3.33Å; G110-D112 VanDerWaalsContact O-N 3.12Å |
| 111 | D | 75.4 | Confident | 87.4 | Confident | 163 Ų | 163 | 44.1 Ų | 44.1 | 87% | 0.872 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -4.5 | -178.8 | -68.2 | -40.5 | 0 | 0 | 0 | 114 | Q113 | D111-Q113 PolarHBondContact O-N 3.07Š|
| 112 | D | 82.7 | Confident | 87.6 | Confident | 51 Ų | 51 | 44.4 Ų | 44.4 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 12.3 | 178.6 | -89.7 | -31.8 | 0 | 0 | 0 | 114.3 | Q67 G106 K107 G110 | Q67-D112 PolarHBondContact NE2-O 3.07Å; G106-D112 WeakPolarHBondContact CA-O 3.17Å; K107-D112 HydrophobicContact CB-CB 3.9Å; K107-D112 HydrophobicContact CD-CB 3.72Å; K107-D112 WeakPolarHBondContact CD-OD2 3.32Å; K107-D112 VanDerWaalsContact CE-OD2 3.27Å; K107-D112 WeakPolarHBondContact CE-OD2 3.35Å; K107-D112 HydrophobicContact CG-CB 3.89Å; K107-D112 PolarHBondContact N-O 3.4Å; K107-D112 IonicContact NZ-OD2 2.85Å; K107-D112 PolarHBondContact NZ-OD2 3.35Å; G110-D112 PolarHBondContact O-N 3.33Å; G110-D112 VanDerWaalsContact O-N 3.12Å |
| 113 | Q | 89.3 | Confident | 87.8 | Confident | 41 Ų | 41 | 41.1 Ų | 41.1 | 19% | 0.192 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -61.9 | 136.6 | 176.4 | -82.1 | -177.3 | -11.1 | 0 | 0 | 112.1 | K107 P108 D111 P117 Q118 | K107-Q113 WeakPolarHBondContact O-CG 3.46Å; P108-Q113 PolarHBondContact O-NE2 2.94Å; D111-Q113 PolarHBondContact O-N 3.07Å; Q113-P117 HydrophobicContact CB-CB 4.39Å; Q113-P117 HydrophobicContact CB-CG 3.87Å; Q113-P117 HydrophobicContact CG-CB 4.45Å; Q113-P117 HydrophobicContact CG-CG 4.22Å; Q113-Q118 HydrophobicContact CB-CG 4.44Å; Q113-Q118 PolarHBondContact O-NE2 3.01Å |
| 114 | G | 92.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | trans | -78.4 | -171.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | M104 M105 I116 P117 Q118 | M104-G114 CarbonylContact O-C 3.54Å; M105-G114 WeakPolarHBondContact O-CA 3.09Å; M105-G114 PolarHBondContact O-N 3.29Å; G114-I116 PolarHBondContact O-N 3.32Å; G114-P117 WeakPolarHBondContact O-CD 3.31Å; G114-P117 WeakPolarHBondContact O-CG 3.41Å; G114-Q118 WeakPolarHBondContact O-CG 3.2Å; G114-Q118 PolarHBondContact O-N 2.75Å | ||
| 115 | I | 94.6 | Very high | 87.7 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.9 | -45.2 | -179.7 | -67.3 | 171.3 | 0 | 0 | 0 | 111.7 | V70 Y71 I90 T103 M104 Q118 F119 I327 | V70-I115 HydrophobicContact CG1-CD1 4.2Å; Y71-I115 HydrophobicContact CD2-CG2 4.45Å; I90-I115 HydrophobicContact CD1-CG2 4.04Å; I90-I115 HydrophobicContact CG2-CD1 4.43Å; T103-I115 HydrophobicContact CG2-CD1 3.97Å; T103-I115 WeakPolarHBondContact O-CG1 3.46Å; T103-I115 PolarHBondContact O-N 2.85Å; M104-I115 PolarHBondContact O-N 3.36Å; M104-I115 VanDerWaalsContact O-N 3.16Å; M104-I115 HydrophobicContact SD-CD1 4.4Å; I115-Q118 PolarHBondContact O-N 3.02Å; I115-F119 WeakPolarHBondContact O-CB 3.47Å; I115-F119 PolarHBondContact O-N 2.89Å; I115-I327 HydrophobicContact CD1-CD1 3.35Å |
| 116 | I | 93.6 | Very high | 87.8 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.8 | -59.4 | -176 | -62.8 | 165.8 | 0 | 0 | 0 | 111.8 | M104 M105 G114 Q118 F119 C120 I195 F220 L245 | M104-I116 HydrophobicContact CB-CD1 4.02Å; M104-I116 HydrophobicContact CE-CD1 4.41Å; M104-I116 HydrophobicContact CE-CG1 4.32Å; M104-I116 WeakPolarHBondContact O-CB 3.31Å; M104-I116 VanDerWaalsContact O-CG1 3.28Å; M104-I116 WeakPolarHBondContact O-CG1 3.5Å; M104-I116 PolarHBondContact O-N 3.45Å; M105-I116 HydrophobicContact CE-CD1 3.88Å; G114-I116 PolarHBondContact O-N 3.32Å; I116-Q118 PolarHBondContact O-N 2.76Å; I116-F119 PolarHBondContact O-N 3.45Å; I116-C120 WeakPolarHBondContact O-CB 3.4Å; I116-C120 PolarHBondContact O-N 3.37Å; I116-C120 PolarHBondContact O-SG 3.44Å; I116-I195 HydrophobicContact CG2-CD1 3.68Å; I116-F220 HydrophobicContact CG2-CD1 3.87Å; I116-F220 HydrophobicContact CG2-CE1 3.88Å; I116-F220 HydrophobicContact CG2-CG 4.39Å; I116-F220 HydrophobicContact CG2-CZ 4.44Å; I116-L245 HydrophobicContact CB-CD1 4.27Å; I116-L245 HydrophobicContact CD1-CB 4.32Å; I116-L245 HydrophobicContact CG1-CB 3.88Å; I116-L245 HydrophobicContact CG1-CD1 3.76Å; I116-L245 HydrophobicContact CG1-CG 4.45Å; I116-L245 HydrophobicContact CG2-CD1 4.38Å |
| 117 | P | 92.2 | Very high | 88 | Confident | 10 Ų | 10 | 47.9 Ų | 47.9 | 7% | 0.065 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 179.5 | 21.6 | -32.8 | 0 | 0 | 0 | 113.1 | Q113 G114 F119 C120 K121 Y188 | Q113-P117 HydrophobicContact CB-CB 4.39Å; Q113-P117 HydrophobicContact CB-CG 3.87Å; Q113-P117 HydrophobicContact CG-CB 4.45Å; Q113-P117 HydrophobicContact CG-CG 4.22Å; G114-P117 WeakPolarHBondContact O-CD 3.31Å; G114-P117 WeakPolarHBondContact O-CG 3.41Å; P117-F119 PolarHBondContact O-N 2.91Å; P117-C120 PolarHBondContact O-N 3.29Å; P117-K121 VanDerWaalsContact O-CB 3.32Å; P117-K121 WeakPolarHBondContact O-CB 3.46Å; P117-K121 PolarHBondContact O-N 3.04Å; P117-Y188 WeakPolarHBondContact O-CE2 3.37Å |
| 118 | Q | 93 | Very high | 88.3 | Confident | 27 Ų | 27 | 45.5 Ų | 45.5 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 176.4 | -71.1 | -173.8 | 79 | 0 | 0 | 111.9 | Q67 Y71 Q113 G114 I115 I116 C120 K121 D122 | Q67-Q118 PolarHBondContact O-NE2 3.33Å; Y71-Q118 HydrophobicContact CD1-CB 3.85Å; Y71-Q118 HydrophobicContact CD1-CG 4.46Å; Y71-Q118 HydrophobicContact CD2-CB 3.64Å; Y71-Q118 HydrophobicContact CE1-CB 4.03Å; Y71-Q118 HydrophobicContact CE2-CB 3.85Å; Y71-Q118 HydrophobicContact CG-CB 3.68Å; Y71-Q118 HydrophobicContact CG-CG 4.33Å; Q113-Q118 HydrophobicContact CB-CG 4.44Å; Q113-Q118 PolarHBondContact O-NE2 3.01Å; G114-Q118 WeakPolarHBondContact O-CG 3.2Å; G114-Q118 PolarHBondContact O-N 2.75Å; I115-Q118 PolarHBondContact O-N 3.02Å; I116-Q118 PolarHBondContact O-N 2.76Å; Q118-C120 PolarHBondContact O-N 2.66Å; Q118-K121 PolarHBondContact O-N 3.06Å; Q118-D122 PolarHBondContact O-N 2.77Å |
| 119 | F | 95.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.5 | -43.7 | 178.1 | -164.6 | -73.1 | 0 | 0 | 0 | 112 | Y71 G75 M78 L79 I115 I116 P117 L123 L222 I243 L245 | Y71-F119 HydrophobicContact CE2-CB 3.89Å; Y71-F119 HydrophobicContact CE2-CD2 4.28Å; G75-F119 WeakPolarHBondContact O-CE2 3.49Å; M78-F119 HydrophobicContact CB-CE2 4.14Å; L79-F119 HydrophobicContact CB-CD2 4.19Å; L79-F119 HydrophobicContact CB-CE1 4.32Å; L79-F119 HydrophobicContact CB-CE2 3.7Å; L79-F119 HydrophobicContact CB-CZ 3.78Å; L79-F119 HydrophobicContact CD1-CD1 4.02Å; L79-F119 HydrophobicContact CD1-CE1 3.52Å; L79-F119 HydrophobicContact CD1-CE2 4.45Å; L79-F119 HydrophobicContact CD1-CZ 3.78Å; L79-F119 HydrophobicContact CG-CE1 4.47Å; L79-F119 HydrophobicContact CG-CZ 4.38Å; I115-F119 WeakPolarHBondContact O-CB 3.47Å; I115-F119 PolarHBondContact O-N 2.89Å; I116-F119 PolarHBondContact O-N 3.45Å; P117-F119 PolarHBondContact O-N 2.91Å; F119-L123 WeakPolarHBondContact O-CB 3.42Å; F119-L123 PolarHBondContact O-N 3.24Å; F119-L222 HydrophobicContact CD1-CD1 4.34Å; F119-L222 HydrophobicContact CE1-CD1 4.49Å; F119-I243 HydrophobicContact CE1-CD1 4.09Å; F119-I243 HydrophobicContact CE1-CG1 4.34Å; F119-I243 HydrophobicContact CE1-CG2 3.66Å; F119-I243 HydrophobicContact CE2-CG2 4.46Å; F119-I243 HydrophobicContact CZ-CG1 4.37Å; F119-I243 HydrophobicContact CZ-CG2 3.62Å; F119-L245 HydrophobicContact CB-CD1 4.45Å; F119-L245 HydrophobicContact CG-CD1 4.4Å |
| 120 | C | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.2 | -36.8 | 177.1 | -66 | 0 | 0 | 0 | 0 | 112.5 | I116 P117 Q118 F124 Y188 I191 | I116-C120 WeakPolarHBondContact O-CB 3.4Å; I116-C120 PolarHBondContact O-N 3.37Å; I116-C120 PolarHBondContact O-SG 3.44Å; P117-C120 PolarHBondContact O-N 3.29Å; Q118-C120 PolarHBondContact O-N 2.66Å; C120-F124 WeakPolarHBondContact O-CD2 3.25Å; C120-F124 PolarHBondContact O-N 2.7Å; C120-Y188 HydrophobicContact CB-CD2 4.1Å; C120-Y188 HydrophobicContact CB-CE2 4.17Å; C120-I191 HydrophobicContact CB-CD1 4.32Å; C120-I191 HydrophobicContact CB-CG2 3.95Å |
| 121 | K | 92.2 | Very high | 90.7 | Very high | 104 Ų | 104 | 42.1 Ų | 42.1 | 45% | 0.452 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.2 | -50.4 | 177 | -176 | 178.9 | 179.1 | 179.1 | 0 | 111.3 | P117 Q118 L123 F124 Q125 Y188 | P117-K121 VanDerWaalsContact O-CB 3.32Å; P117-K121 WeakPolarHBondContact O-CB 3.46Å; P117-K121 PolarHBondContact O-N 3.04Å; Q118-K121 PolarHBondContact O-N 3.06Å; K121-L123 VanDerWaalsContact C-N 3.34Å; K121-L123 PolarHBondContact O-N 3.47Å; K121-F124 PolarHBondContact O-N 2.66Å; K121-Q125 WeakPolarHBondContact O-CB 3.37Å; K121-Q125 PolarHBondContact O-N 2.94Å; K121-Y188 VanDerWaalsContact CA-CD2 3.45Å; K121-Y188 HydrophobicContact CB-CD2 3.76Å; K121-Y188 HydrophobicContact CB-CE2 3.77Å; K121-Y188 HydrophobicContact CB-CG 4.4Å; K121-Y188 HydrophobicContact CG-CD2 4.48Å |
| 122 | D | 94 | Very high | 91.1 | Very high | 38 Ų | 38 | 42.9 Ų | 42.9 | 20% | 0.203 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.8 | -29.9 | 179.3 | -92.5 | 31.7 | 0 | 0 | 0 | 112.8 | Y71 L76 L79 Q118 Q125 R126 | Y71-D122 WeakPolarHBondContact OH-CB 3.45Å; L76-D122 WeakPolarHBondContact CD2-OD2 3.36Å; L79-D122 HydrophobicContact CD2-CB 3.59Å; Q118-D122 PolarHBondContact O-N 2.77Å; D122-Q125 PolarHBondContact O-N 2.78Å; D122-R126 WeakPolarHBondContact O-CB 3.46Å; D122-R126 VanDerWaalsContact O-CG 3.3Å; D122-R126 WeakPolarHBondContact O-CG 3.16Å; D122-R126 PolarHBondContact O-N 2.97Å |
| 123 | L | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.8 | -54.7 | 171.2 | 174.5 | 63.5 | 0 | 0 | 0 | 111 | L79 F83 F119 K121 Q125 R126 I127 V141 L222 L224 | L79-L123 HydrophobicContact CD1-CB 3.97Å; L79-L123 HydrophobicContact CD1-CD1 3.91Å; F83-L123 HydrophobicContact CE2-CD1 3.81Å; F83-L123 HydrophobicContact CZ-CD1 3.86Å; F119-L123 WeakPolarHBondContact O-CB 3.42Å; F119-L123 PolarHBondContact O-N 3.24Å; K121-L123 VanDerWaalsContact C-N 3.34Å; K121-L123 PolarHBondContact O-N 3.47Å; L123-Q125 VanDerWaalsContact C-N 3.35Å; L123-Q125 PolarHBondContact O-N 3.13Å; L123-R126 PolarHBondContact O-N 2.8Å; L123-I127 HydrophobicContact CD1-CD1 4.1Å; L123-I127 HydrophobicContact CG-CD1 4.1Å; L123-I127 WeakPolarHBondContact O-CG1 3.44Å; L123-I127 PolarHBondContact O-N 3.09Å; L123-V141 HydrophobicContact CD2-CG1 4.3Å; L123-L222 HydrophobicContact CD2-CD1 3.85Å; L123-L224 HydrophobicContact CD1-CD1 4.18Å; L123-L224 HydrophobicContact CD1-CD2 3.99Å |
| 124 | F | 93.7 | Very high | 90.8 | Very high | 25 Ų | 25 | 49 Ų | 49 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.6 | -34 | 177 | -82.4 | -67.2 | 0 | 0 | 0 | 112.9 | C120 K121 I127 S128 V185 T186 T187 Y188 I191 | C120-F124 WeakPolarHBondContact O-CD2 3.25Å; C120-F124 PolarHBondContact O-N 2.7Å; K121-F124 PolarHBondContact O-N 2.66Å; F124-I127 HydrophobicContact CD1-CD1 4.26Å; F124-I127 PolarHBondContact O-N 3.22Å; F124-S128 WeakPolarHBondContact O-CB 3.4Å; F124-S128 PolarHBondContact O-N 3.19Å; F124-S128 PolarHBondContact O-OG 3.43Å; F124-V185 HydrophobicContact CE2-CG2 4.47Å; F124-V185 HydrophobicContact CZ-CB 4.35Å; F124-V185 HydrophobicContact CZ-CG2 3.97Å; F124-T186 WeakPolarHBondContact CE1-O 3.38Å; F124-T187 WeakPolarHBondContact CE2-O 3.25Å; F124-Y188 VanDerWaalsContact CD2-N 3.31Å; F124-I191 HydrophobicContact CD2-CD1 4.37Å; F124-I191 HydrophobicContact CE2-CD1 3.53Å; F124-I191 HydrophobicContact CE2-CG1 3.89Å; F124-I191 HydrophobicContact CZ-CD1 4.34Å |
| 125 | Q | 92.5 | Very high | 90.1 | Very high | 97 Ų | 97 | 53.9 Ų | 53.9 | 45% | 0.453 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.6 | -49.2 | 173.2 | -170.9 | 164.8 | -75.8 | 0 | 0 | 110.9 | K121 D122 L123 S128 Q129 | K121-Q125 WeakPolarHBondContact O-CB 3.37Å; K121-Q125 PolarHBondContact O-N 2.94Å; D122-Q125 PolarHBondContact O-N 2.78Å; L123-Q125 VanDerWaalsContact C-N 3.35Å; L123-Q125 PolarHBondContact O-N 3.13Å; Q125-S128 PolarHBondContact O-N 3.11Å; Q125-S128 PolarHBondContact O-OG 3.23Å; Q125-Q129 WeakPolarHBondContact O-CG 3.4Å; Q125-Q129 PolarHBondContact O-N 3.09Å |
| 126 | R | 92.2 | Very high | 89.5 | Confident | 55 Ų | 55 | 56 Ų | 56 | 21% | 0.208 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 176.9 | -71.3 | -179.7 | -168.8 | -164.9 | 10.5 | 112.4 | L76 F83 D122 L123 S128 Q129 N130 | L76-R126 PolarHBondContact O-NH2 2.89Å; F83-R126 HydrophobicContact CE1-CB 4.25Å; F83-R126 HydrophobicContact CE2-CB 3.61Å; F83-R126 HydrophobicContact CE2-CG 4.2Å; F83-R126 HydrophobicContact CZ-CB 3.44Å; F83-R126 VanDerWaalsContact CZ-CB 3.44Å; F83-R126 HydrophobicContact CZ-CG 4.49Å; D122-R126 WeakPolarHBondContact O-CB 3.46Å; D122-R126 VanDerWaalsContact O-CG 3.3Å; D122-R126 WeakPolarHBondContact O-CG 3.16Å; D122-R126 PolarHBondContact O-N 2.97Å; L123-R126 PolarHBondContact O-N 2.8Å; R126-S128 PolarHBondContact O-N 3.5Å; R126-Q129 PolarHBondContact O-N 3.17Å; R126-N130 WeakPolarHBondContact O-CB 3.35Å; R126-N130 VanDerWaalsContact O-CG 3.32Å; R126-N130 PolarHBondContact O-N 2.87Å |
| 127 | I | 92.3 | Very high | 89.1 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 11% | 0.108 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.7 | -52 | 172.4 | -71.6 | 167.1 | 0 | 0 | 0 | 110.3 | F83 L123 F124 Q129 N130 S131 Y139 V141 L224 | F83-I127 HydrophobicContact CE1-CG1 4.29Å; F83-I127 HydrophobicContact CZ-CG1 4.04Å; L123-I127 HydrophobicContact CD1-CD1 4.1Å; L123-I127 HydrophobicContact CG-CD1 4.1Å; L123-I127 WeakPolarHBondContact O-CG1 3.44Å; L123-I127 PolarHBondContact O-N 3.09Å; F124-I127 HydrophobicContact CD1-CD1 4.26Å; F124-I127 PolarHBondContact O-N 3.22Å; I127-Q129 PolarHBondContact O-N 2.88Å; I127-N130 PolarHBondContact O-N 3.35Å; I127-N130 VanDerWaalsContact O-N 3.14Å; I127-S131 PolarHBondContact O-N 3.01Å; I127-Y139 HydrophobicContact CB-CD2 4.38Å; I127-Y139 HydrophobicContact CB-CG 4.45Å; I127-Y139 HydrophobicContact CG1-CD1 4.03Å; I127-Y139 HydrophobicContact CG1-CD2 4.3Å; I127-Y139 HydrophobicContact CG1-CE1 4.45Å; I127-Y139 HydrophobicContact CG1-CG 3.94Å; I127-Y139 HydrophobicContact CG2-CD2 3.82Å; I127-Y139 HydrophobicContact CG2-CG 3.98Å; I127-V141 HydrophobicContact CD1-CG2 3.7Å; I127-L224 HydrophobicContact CD1-CD1 4.11Å |
| 128 | S | 89.6 | Confident | 88.9 | Confident | 57 Ų | 57 | 60 Ų | 60 | 40% | 0.399 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.7 | -23.3 | -178.2 | 80.5 | 0 | 0 | 0 | 0 | 114.2 | F124 Q125 R126 K132 | F124-S128 WeakPolarHBondContact O-CB 3.4Å; F124-S128 PolarHBondContact O-N 3.19Å; F124-S128 PolarHBondContact O-OG 3.43Å; Q125-S128 PolarHBondContact O-N 3.11Å; Q125-S128 PolarHBondContact O-OG 3.23Å; R126-S128 PolarHBondContact O-N 3.5Å; S128-K132 VanDerWaalsContact O-CD 3.23Å; S128-K132 WeakPolarHBondContact O-CD 3.25Å; S128-K132 WeakPolarHBondContact O-CE 3.45Å; S128-K132 VanDerWaalsContact O-CG 3.27Å; S128-K132 WeakPolarHBondContact O-CG 3.45Å |
| 129 | Q | 89.6 | Confident | 88.7 | Confident | 90 Ų | 90 | 60.4 Ų | 60.4 | 42% | 0.421 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -84.1 | -38 | 173.9 | -72.6 | 176.7 | 11.8 | 0 | 0 | 111.9 | Q125 R126 I127 K132 K133 | Q125-Q129 WeakPolarHBondContact O-CG 3.4Å; Q125-Q129 PolarHBondContact O-N 3.09Å; R126-Q129 PolarHBondContact O-N 3.17Å; I127-Q129 PolarHBondContact O-N 2.88Å; Q129-K132 PolarHBondContact O-N 2.99Å; Q129-K133 WeakPolarHBondContact O-CG 3.41Å |
| 130 | N | 88.1 | Confident | 88.4 | Confident | 44 Ų | 44 | 61.3 Ų | 61.3 | 24% | 0.235 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -75.9 | -42.7 | -177.2 | -72.6 | -3.8 | 0 | 0 | 0 | 112.2 | R126 I127 K132 K133 E134 Y139 | R126-N130 WeakPolarHBondContact O-CB 3.35Å; R126-N130 VanDerWaalsContact O-CG 3.32Å; R126-N130 PolarHBondContact O-N 2.87Å; I127-N130 PolarHBondContact O-N 3.35Å; I127-N130 VanDerWaalsContact O-N 3.14Å; N130-K132 PolarHBondContact O-N 2.97Å; N130-K132 VanDerWaalsContact O-N 3.12Å; N130-K133 WeakPolarHBondContact O-CA 3.49Å; N130-K133 PolarHBondContact O-N 3.31Å; N130-E134 PolarHBondContact O-N 2.85Å; N130-Y139 HydrophobicContact CB-CE2 3.87Å; N130-Y139 WeakPolarHBondContact CB-OH 3.48Å; N130-Y139 PolarHBondContact ND2-OH 2.95Å |
| 131 | S | 82.7 | Confident | 88.4 | Confident | 54 Ų | 54 | 61.4 Ų | 61.4 | 38% | 0.378 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -9.5 | 174.1 | -62.2 | 0 | 0 | 0 | 0 | 114 | I127 L137 Y139 | I127-S131 PolarHBondContact O-N 3.01Å; S131-L137 PolarHBondContact OG-O 3.34Å; S131-Y139 WeakPolarHBondContact OG-CD2 3.29Å |
| 132 | K | 83.7 | Confident | 88.3 | Confident | 179 Ų | 179 | 58 Ų | 58 | 78% | 0.778 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -12.9 | 167.5 | -71.3 | 176.6 | -172.4 | 174.2 | 0 | 113.7 | S128 Q129 N130 | S128-K132 VanDerWaalsContact O-CD 3.23Å; S128-K132 WeakPolarHBondContact O-CD 3.25Å; S128-K132 WeakPolarHBondContact O-CE 3.45Å; S128-K132 VanDerWaalsContact O-CG 3.27Å; S128-K132 WeakPolarHBondContact O-CG 3.45Å; Q129-K132 PolarHBondContact O-N 2.99Å; N130-K132 PolarHBondContact O-N 2.97Å; N130-K132 VanDerWaalsContact O-N 3.12Å |
| 133 | K | 84.8 | Confident | 88.3 | Confident | 152 Ų | 152 | 56.2 Ų | 56.2 | 66% | 0.661 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -44.9 | 179.2 | -68 | 168.8 | -175.7 | 171.1 | 0 | 111.9 | Q129 N130 | Q129-K133 WeakPolarHBondContact O-CG 3.41Å; N130-K133 WeakPolarHBondContact O-CA 3.49Å; N130-K133 PolarHBondContact O-N 3.31Å |
| 134 | E | 82 | Confident | 88.2 | Confident | 68 Ų | 68 | 56.8 Ų | 56.8 | 32% | 0.318 | 30% | 0.299 | S | S | . | . | trans | -117.1 | 97.7 | -177.5 | -69.2 | -170.8 | -159.7 | 0 | 0 | 109.9 | N130 N136 L137 R228 | N130-E134 PolarHBondContact O-N 2.85Å; E134-N136 PolarHBondContact O-N 3.07Å; E134-L137 HydrophobicContact CB-CB 3.78Å; E134-L137 HydrophobicContact CB-CD2 4.45Å; E134-L137 PolarHBondContact O-N 2.83Å; E134-L137 VanDerWaalsContact O-N 3.11Å; E134-R228 VanDerWaalsContact CD-NH2 3.33Å; E134-R228 IonicContact OE1-NH2 2.84Å; E134-R228 PolarHBondContact OE1-NH2 2.78Å; E134-R228 IonicContact OE2-CZ 3.3Å; E134-R228 IonicContact OE2-NE 3.58Å; E134-R228 IonicContact OE2-NH2 3.64Å; E134-R228 PolarHBondContact OE2-NH2 2.89Å | ||
| 135 | A | 77.8 | Confident | 88.1 | Confident | 104 Ų | 104 | 55.7 Ų | 55.7 | 86% | 0.86 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -18.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 136 | N | 82.3 | Confident | 88.1 | Confident | 47 Ų | 47 | 51.7 Ų | 51.7 | 25% | 0.251 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 7.5 | 175.5 | 69.7 | -47.8 | 0 | 0 | 0 | 113.4 | E134 R228 H229 | E134-N136 PolarHBondContact O-N 3.07Å; N136-R228 WeakPolarHBondContact O-CA 3.44Å; N136-H229 HydrophobicContact CB-CB 4.3Å; N136-H229 PolarHBondContact ND2-O 2.89Å; N136-H229 PolarHBondContact O-N 2.79Å |
| 137 | L | 84.9 | Confident | 87.9 | Confident | 20 Ų | 20 | 49.1 Ų | 49.1 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 105.8 | -180 | -173 | 61.3 | 0 | 0 | 0 | 111.1 | S131 E134 Y139 Q226 R227 R228 | S131-L137 PolarHBondContact OG-O 3.34Å; E134-L137 HydrophobicContact CB-CB 3.78Å; E134-L137 HydrophobicContact CB-CD2 4.45Å; E134-L137 PolarHBondContact O-N 2.83Å; E134-L137 VanDerWaalsContact O-N 3.11Å; L137-Y139 HydrophobicContact CD2-CE2 4.17Å; L137-Y139 VanDerWaalsContact CD2-OH 3.24Å; L137-Y139 WeakPolarHBondContact CD2-OH 3.34Å; L137-Y139 HydrophobicContact CG-CE2 3.98Å; L137-Q226 HydrophobicContact CD1-CB 4.41Å; L137-R227 WeakPolarHBondContact CA-O 3.46Å; L137-R228 HydrophobicContact CD1-CB 4.01Å |
| 138 | T | 86.7 | Confident | 87.7 | Confident | 78 Ų | 78 | 48.2 Ų | 48.2 | 48% | 0.479 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 156.4 | 176.6 | 65 | 0 | 0 | 0 | 0 | 111.3 | R227 | T138-R227 PolarHBondContact N-O 3.19Å; T138-R227 PolarHBondContact O-N 2.81Å; T138-R227 WeakPolarHBondContact OG1-CB 3.5Å |
| 139 | Y | 89.9 | Confident | 87.4 | Confident | 36 Ų | 36 | 48.3 Ų | 48.3 | 14% | 0.141 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 141.1 | -173.9 | -68 | -84.8 | 0 | 0 | 0 | 110.8 | F83 I127 N130 S131 L137 L224 T225 Q226 | F83-Y139 HydrophobicContact CD1-CE1 4.18Å; F83-Y139 AromaticContact CE1-CE1 3.73Å; F83-Y139 HydrophobicContact CE1-CE1 3.73Å; I127-Y139 HydrophobicContact CB-CD2 4.38Å; I127-Y139 HydrophobicContact CB-CG 4.45Å; I127-Y139 HydrophobicContact CG1-CD1 4.03Å; I127-Y139 HydrophobicContact CG1-CD2 4.3Å; I127-Y139 HydrophobicContact CG1-CE1 4.45Å; I127-Y139 HydrophobicContact CG1-CG 3.94Å; I127-Y139 HydrophobicContact CG2-CD2 3.82Å; I127-Y139 HydrophobicContact CG2-CG 3.98Å; N130-Y139 HydrophobicContact CB-CE2 3.87Å; N130-Y139 WeakPolarHBondContact CB-OH 3.48Å; N130-Y139 PolarHBondContact ND2-OH 2.95Å; S131-Y139 WeakPolarHBondContact OG-CD2 3.29Å; L137-Y139 HydrophobicContact CD2-CE2 4.17Å; L137-Y139 VanDerWaalsContact CD2-OH 3.24Å; L137-Y139 WeakPolarHBondContact CD2-OH 3.34Å; L137-Y139 HydrophobicContact CG-CE2 3.98Å; Y139-L224 HydrophobicContact CD1-CD1 3.97Å; Y139-T225 WeakPolarHBondContact CA-O 3.26Å; Y139-Q226 HydrophobicContact CD1-CB 4.18Å; Y139-Q226 HydrophobicContact CD1-CG 3.84Å; Y139-Q226 HydrophobicContact CE1-CB 4.04Å; Y139-Q226 HydrophobicContact CE1-CG 3.64Å |
| 140 | S | 89.2 | Confident | 86.9 | Confident | 18 Ų | 18 | 45.5 Ų | 45.5 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 144.2 | 166.8 | 44.1 | 0 | 0 | 0 | 0 | 110 | T225 W432 | S140-T225 PolarHBondContact N-O 2.89Å; S140-T225 PolarHBondContact O-N 2.84Å; S140-T225 WeakPolarHBondContact OG-CB 3.48Å; S140-W432 VanDerWaalsContact CB-CZ3 3.42Å |
| 141 | V | 92.2 | Very high | 86.8 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 123.4 | -179.3 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | L123 I127 V185 V223 L224 | L123-V141 HydrophobicContact CD2-CG1 4.3Å; I127-V141 HydrophobicContact CD1-CG2 3.7Å; V141-V185 HydrophobicContact CB-CG2 3.83Å; V141-V185 HydrophobicContact CG1-CG2 3.61Å; V141-V185 WeakPolarHBondContact O-CG2 3.38Å; V141-V185 PolarHBondContact O-N 2.82Å; V141-V223 WeakPolarHBondContact CA-O 3.41Å; V141-L224 HydrophobicContact CG2-CD1 4.02Å |
| 142 | E | 91.1 | Very high | 86.9 | Confident | 33 Ų | 33 | 49.2 Ų | 49.2 | 15% | 0.154 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 140.8 | 171.1 | -55.5 | -175.4 | 156.8 | 0 | 0 | 110.2 | K182 L183 L222 V223 K435 | E142-K182 WeakPolarHBondContact OE2-CD 3.44Å; E142-L183 CarbonylContact C-O 3.04Å; E142-L183 WeakPolarHBondContact CA-O 3.27Å; E142-L222 CarbonylContact O-C 3.57Å; E142-L222 WeakPolarHBondContact O-CA 3.36Å; E142-V223 HydrophobicContact CB-CB 4.24Å; E142-V223 PolarHBondContact N-O 3.32Å; E142-V223 PolarHBondContact O-N 3.06Å; E142-K435 IonicContact OE1-NZ 3.74Å; E142-K435 PolarHBondContact OE1-NZ 2.87Å |
| 143 | V | 93.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 137 | 177.7 | -172 | 0 | 0 | 0 | 0 | 110.4 | K182 L183 V185 I191 L194 F220 L222 | V143-K182 CarbonylContact O-C 3.57Å; V143-K182 VanDerWaalsContact O-CA 3.3Å; V143-K182 WeakPolarHBondContact O-CA 3.32Å; V143-L183 PolarHBondContact N-O 3.33Å; V143-L183 PolarHBondContact O-N 3.04Å; V143-V185 HydrophobicContact CG2-CB 4.3Å; V143-V185 HydrophobicContact CG2-CG1 3.75Å; V143-V185 HydrophobicContact CG2-CG2 3.52Å; V143-I191 HydrophobicContact CG2-CD1 3.97Å; V143-I191 HydrophobicContact CG2-CG1 3.92Å; V143-L194 HydrophobicContact CB-CD1 4.47Å; V143-F220 HydrophobicContact CG1-CD2 4.45Å; V143-F220 HydrophobicContact CG1-CE2 3.57Å; V143-F220 HydrophobicContact CG1-CZ 3.7Å; V143-L222 HydrophobicContact CB-CD2 4.39Å; V143-L222 HydrophobicContact CG1-CD2 4.2Å; V143-L222 HydrophobicContact CG2-CD2 3.79Å |
| 144 | S | 92.5 | Very high | 87.1 | Confident | 12 Ų | 12 | 37.6 Ų | 37.6 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 141.3 | 165.8 | 53.5 | 0 | 0 | 0 | 0 | 109.8 | T181 T221 | S144-T181 WeakPolarHBondContact CB-O 3.14Å; S144-T221 PolarHBondContact N-O 2.77Å; S144-T221 PolarHBondContact O-N 3.04Å; S144-T221 PolarHBondContact OG-O 2.85Å |
| 145 | Y | 92.8 | Very high | 87.5 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 124.9 | -179.5 | -167.1 | -165.7 | 0 | 0 | 0 | 108.7 | L156 L157 N199 A218 F220 | Y145-L156 HydrophobicContact CD1-CB 4.09Å; Y145-L156 HydrophobicContact CD1-CD1 4.03Å; Y145-L156 HydrophobicContact CD2-CD1 3.78Å; Y145-L156 HydrophobicContact CE1-CD1 3.96Å; Y145-L156 HydrophobicContact CE2-CD1 3.73Å; Y145-L156 HydrophobicContact CG-CB 4.1Å; Y145-L156 HydrophobicContact CG-CD1 3.92Å; Y145-L156 WeakPolarHBondContact O-CB 3.26Å; Y145-L156 PolarHBondContact O-N 2.94Å; Y145-L157 HydrophobicContact CD1-CD2 4.35Å; Y145-N199 PolarHBondContact OH-OD1 3.27Å; Y145-A218 HydrophobicContact CE2-CB 3.99Å; Y145-F220 HydrophobicContact CD1-CD2 4.14Å; Y145-F220 HydrophobicContact CD2-CB 3.79Å; Y145-F220 AromaticContact CD2-CD2 3.84Å; Y145-F220 HydrophobicContact CD2-CD2 3.84Å; Y145-F220 HydrophobicContact CD2-CG 4.33Å; Y145-F220 HydrophobicContact CE2-CB 3.97Å; Y145-F220 HydrophobicContact CE2-CD2 4.32Å; Y145-F220 AromaticContact CG-CD2 3.75Å; Y145-F220 HydrophobicContact CG-CD2 3.75Å |
| 146 | M | 91.3 | Very high | 87.9 | Confident | 12 Ų | 12 | 29.6 Ų | 29.6 | 6% | 0.059 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 156.4 | -175.5 | 62.5 | 177.3 | 166.1 | 0 | 0 | 112.6 | V153 R154 V177 L180 V219 L313 | M146-V153 HydrophobicContact CB-CG1 4.3Å; M146-V153 HydrophobicContact SD-CG1 3.91Å; M146-R154 CarbonylContact C-O 3.55Å; M146-R154 VanDerWaalsContact CA-O 3.29Å; M146-R154 WeakPolarHBondContact CA-O 3.42Å; M146-R154 WeakPolarHBondContact CB-O 3.32Å; M146-V177 HydrophobicContact CE-CG2 4.3Å; M146-V177 HydrophobicContact SD-CG2 3.74Å; M146-L180 HydrophobicContact CB-CD1 3.93Å; M146-L180 HydrophobicContact CE-CD2 4.48Å; M146-L180 HydrophobicContact CG-CD2 4.45Å; M146-L180 HydrophobicContact SD-CD2 3.76Å; M146-V219 HydrophobicContact CE-CB 3.74Å; M146-V219 HydrophobicContact CE-CG1 3.54Å; M146-V219 HydrophobicContact CE-CG2 4.31Å; M146-V219 HydrophobicContact CG-CB 3.9Å; M146-V219 PolarHBondContact N-O 2.94Å; M146-V219 PolarHBondContact O-N 3.39Å; M146-L313 HydrophobicContact CE-CD1 4.15Å |
| 147 | E | 88.7 | Confident | 88.1 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130.7 | 177.3 | -176.7 | 169.2 | -117.4 | 0 | 0 | 110.1 | V153 R154 L156 R202 T203 S216 H217 | E147-V153 WeakPolarHBondContact O-CA 3.42Å; E147-R154 HydrophobicContact CB-CB 4.46Å; E147-R154 PolarHBondContact N-O 2.9Å; E147-R154 PolarHBondContact O-N 3.39Å; E147-L156 HydrophobicContact CB-CD1 4.05Å; E147-L156 HydrophobicContact CB-CD2 3.83Å; E147-L156 HydrophobicContact CB-CG 3.92Å; E147-R202 IonicContact OE1-NE 2.73Å; E147-T203 PolarHBondContact OE1-N 2.89Å; E147-T203 VanDerWaalsContact OE1-N 3.14Å; E147-T203 WeakPolarHBondContact OE2-CB 3.22Å; E147-T203 PolarHBondContact OE2-N 2.94Å; E147-T203 PolarHBondContact OE2-OG1 3.22Å; E147-S216 VanDerWaalsContact CG-CB 3.48Å; E147-S216 VanDerWaalsContact OE1-CB 3.28Å; E147-S216 WeakPolarHBondContact OE1-CB 3.25Å; E147-S216 PolarHBondContact OE1-OG 2.85Å; E147-H217 CarbonylContact C-O 3.58Å; E147-H217 WeakPolarHBondContact CA-O 3.45Å |
| 148 | I | 89.1 | Confident | 87.8 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 110.6 | 172.1 | -49.9 | 172.5 | 0 | 0 | 0 | 107.8 | R152 V153 H217 V219 V309 L310 L313 | I148-R152 WeakPolarHBondContact CA-O 3.3Å; I148-V153 HydrophobicContact CG1-CG2 4.48Å; I148-H217 HydrophobicContact CB-CB 4.23Å; I148-H217 PolarHBondContact N-O 2.91Å; I148-H217 PolarHBondContact O-CD2 3Å; I148-H217 PolarHBondContact O-N 3.45Å; I148-V219 HydrophobicContact CD1-CG2 4.14Å; I148-V309 HydrophobicContact CD1-CG1 4.4Å; I148-V309 HydrophobicContact CG2-CB 4.33Å; I148-V309 HydrophobicContact CG2-CG1 3.92Å; I148-L310 HydrophobicContact CD1-CB 4.49Å; I148-L310 HydrophobicContact CD1-CD1 4.07Å; I148-L313 HydrophobicContact CD1-CD1 3.91Å |
| 149 | Y | 82.8 | Confident | 86.8 | Confident | 59 Ų | 59 | 27.9 Ų | 27.9 | 23% | 0.231 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 126.2 | -177.6 | 174.5 | -113.9 | 0 | 0 | 0 | 109.7 | E151 R152 T203 R215 E266 | Y149-E151 VanDerWaalsContact C-N 3.31Å; Y149-E151 PolarHBondContact O-N 3.22Å; Y149-R152 PolarHBondContact N-O 2.91Å; Y149-R152 WeakPolarHBondContact O-CA 3.26Å; Y149-R152 WeakPolarHBondContact O-CB 3.46Å; Y149-R152 PolarHBondContact O-N 3.28Å; Y149-T203 HydrophobicContact CD1-CG2 4.49Å; Y149-T203 HydrophobicContact CE1-CG2 4.38Å; Y149-R215 WeakPolarHBondContact CD2-O 3.08Å; Y149-R215 HydrophobicContact CE2-CB 4.42Å; Y149-E266 HydrophobicContact CE2-CG 3.91Å; Y149-E266 VanDerWaalsContact OH-CD 3.22Å; Y149-E266 WeakPolarHBondContact OH-CG 3.47Å; Y149-E266 PolarHBondContact OH-OE1 3.03Å |
| 150 | C | 78.8 | Confident | 85.8 | Confident | 31 Ų | 31 | 31.6 Ų | 31.6 | 21% | 0.209 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 44.6 | -177.2 | -65.8 | 0 | 0 | 0 | 0 | 114.6 | R152 N269 | C150-R152 PolarHBondContact O-N 2.79Å; C150-R152 VanDerWaalsContact O-N 3.15Å; C150-N269 HydrophobicContact CB-CB 4.21Å |
| 151 | E | 85.9 | Confident | 84.7 | Confident | 37 Ų | 37 | 31.6 Ų | 31.6 | 17% | 0.173 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 17.7 | -175.9 | -58 | -78.2 | 94.9 | 0 | 0 | 114.6 | Y149 K272 S308 V309 | Y149-E151 VanDerWaalsContact C-N 3.31Å; Y149-E151 PolarHBondContact O-N 3.22Å; E151-K272 HydrophobicContact CG-CD 4.09Å; E151-K272 IonicContact OE2-NZ 3.37Å; E151-K272 PolarHBondContact OE2-NZ 3.46Å; E151-S308 VanDerWaalsContact OE2-CA 3.25Å; E151-S308 WeakPolarHBondContact OE2-CA 3.33Å; E151-V309 HydrophobicContact CB-CG2 4.28Å; E151-V309 PolarHBondContact OE1-N 2.92Å; E151-V309 PolarHBondContact OE2-N 3.37Å |
| 152 | R | 84.1 | Confident | 83.3 | Confident | 140 Ų | 140 | 37.1 Ų | 37.1 | 53% | 0.528 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 144.6 | 171.2 | -66.1 | 177 | 60.1 | 166.4 | -2.9 | 110.1 | I148 Y149 C150 N164 | I148-R152 WeakPolarHBondContact CA-O 3.3Å; Y149-R152 PolarHBondContact N-O 2.91Å; Y149-R152 WeakPolarHBondContact O-CA 3.26Å; Y149-R152 WeakPolarHBondContact O-CB 3.46Å; Y149-R152 PolarHBondContact O-N 3.28Å; C150-R152 PolarHBondContact O-N 2.79Å; C150-R152 VanDerWaalsContact O-N 3.15Å; R152-N164 WeakPolarHBondContact CA-OD1 3.47Å; R152-N164 WeakPolarHBondContact CB-OD1 3.25Å |
| 153 | V | 88.1 | Confident | 82.3 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 129.6 | 176.9 | -173.5 | 0 | 0 | 0 | 0 | 109.2 | M146 E147 I148 N164 L165 V167 V177 V309 | M146-V153 HydrophobicContact CB-CG1 4.3Å; M146-V153 HydrophobicContact SD-CG1 3.91Å; E147-V153 WeakPolarHBondContact O-CA 3.42Å; I148-V153 HydrophobicContact CG1-CG2 4.48Å; V153-N164 PolarHBondContact N-OD1 3.2Å; V153-N164 PolarHBondContact O-OD1 3.29Å; V153-L165 HydrophobicContact CB-CB 4.12Å; V153-L165 HydrophobicContact CG1-CB 4.25Å; V153-L165 PolarHBondContact O-N 3.1Å; V153-V167 HydrophobicContact CG2-CG2 4.02Å; V153-V177 HydrophobicContact CG1-CG1 3.95Å; V153-V177 HydrophobicContact CG1-CG2 4.35Å; V153-V309 HydrophobicContact CG2-CG1 3.61Å |
| 154 | R | 86 | Confident | 81.7 | Confident | 84 Ų | 84 | 42.8 Ų | 42.8 | 32% | 0.317 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.6 | 176.5 | -175.2 | 178.3 | -179.9 | -151.1 | -10.6 | 109.7 | M146 E147 S201 T203 | M146-R154 CarbonylContact C-O 3.55Å; M146-R154 VanDerWaalsContact CA-O 3.29Å; M146-R154 WeakPolarHBondContact CA-O 3.42Å; M146-R154 WeakPolarHBondContact CB-O 3.32Å; E147-R154 HydrophobicContact CB-CB 4.46Å; E147-R154 PolarHBondContact N-O 2.9Å; E147-R154 PolarHBondContact O-N 3.39Å; R154-S201 VanDerWaalsContact CZ-O 3.32Å; R154-S201 PolarHBondContact NH1-O 2.88Å; R154-S201 PolarHBondContact NH2-O 3.28Å; R154-T203 PolarHBondContact NH1-OG1 2.78Å |
| 155 | D | 89.1 | Confident | 81.5 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.011 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 123.6 | 171 | -167.5 | -34.9 | 0 | 0 | 0 | 109 | L157 N158 N161 L165 L180 T181 | D155-L157 WeakPolarHBondContact OD1-CA 3.35Å; D155-L157 PolarHBondContact OD1-N 3.39Å; D155-N158 HydrophobicContact CB-CB 4.11Å; D155-N158 PolarHBondContact OD1-N 3.3Å; D155-N158 WeakPolarHBondContact OD2-CB 3.48Å; D155-N161 HydrophobicContact CB-CB 4.28Å; D155-L165 HydrophobicContact CB-CD1 4.09Å; D155-L180 HydrophobicContact CB-CD1 4.25Å; D155-T181 WeakPolarHBondContact OD2-CB 3.21Å; D155-T181 PolarHBondContact OD2-N 2.85Å; D155-T181 PolarHBondContact OD2-OG1 2.94Å |
| 156 | L | 86.9 | Confident | 81.1 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -87.8 | -18.5 | 177.5 | -68.4 | 177.3 | 0 | 0 | 0 | 112.5 | Y145 E147 G198 S201 R202 | Y145-L156 HydrophobicContact CD1-CB 4.09Å; Y145-L156 HydrophobicContact CD1-CD1 4.03Å; Y145-L156 HydrophobicContact CD2-CD1 3.78Å; Y145-L156 HydrophobicContact CE1-CD1 3.96Å; Y145-L156 HydrophobicContact CE2-CD1 3.73Å; Y145-L156 HydrophobicContact CG-CB 4.1Å; Y145-L156 HydrophobicContact CG-CD1 3.92Å; Y145-L156 WeakPolarHBondContact O-CB 3.26Å; Y145-L156 PolarHBondContact O-N 2.94Å; E147-L156 HydrophobicContact CB-CD1 4.05Å; E147-L156 HydrophobicContact CB-CD2 3.83Å; E147-L156 HydrophobicContact CB-CG 3.92Å; L156-G198 WeakPolarHBondContact O-CA 3.35Å; L156-S201 WeakPolarHBondContact O-CB 3.47Å; L156-R202 HydrophobicContact CD1-CG 3.75Å; L156-R202 HydrophobicContact CD2-CB 4.35Å; L156-R202 HydrophobicContact CD2-CG 3.8Å; L156-R202 HydrophobicContact CG-CG 4.44Å |
| 157 | L | 86.2 | Confident | 80.9 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -84.5 | -33 | 176.5 | -55 | -176.1 | 0 | 0 | 0 | 110.8 | Y145 D155 P159 L183 L194 R446 | Y145-L157 HydrophobicContact CD1-CD2 4.35Å; D155-L157 WeakPolarHBondContact OD1-CA 3.35Å; D155-L157 PolarHBondContact OD1-N 3.39Å; L157-P159 WeakPolarHBondContact O-CD 3.32Å; L157-L183 HydrophobicContact CB-CD1 4.49Å; L157-L183 HydrophobicContact CD1-CD1 4.1Å; L157-L183 HydrophobicContact CD1-CG 4.32Å; L157-L194 HydrophobicContact CD2-CB 4.15Å; L157-L194 HydrophobicContact CD2-CD2 4.36Å; L157-R446 PolarHBondContact O-NE 3.32Å; L157-R446 PolarHBondContact O-NH1 3.05Å; L157-R446 PolarHBondContact O-NH2 3.06Å |
| 158 | N | 79.5 | Confident | 80.7 | Confident | 43 Ų | 43 | 56.4 Ų | 56.4 | 23% | 0.23 | 27% | 0.267 | C | S | . | . | trans | -99 | 95.5 | -175.2 | -171.5 | -2.9 | 0 | 0 | 0 | 113.5 | D155 K160 N161 T181 | D155-N158 HydrophobicContact CB-CB 4.11Å; D155-N158 PolarHBondContact OD1-N 3.3Å; D155-N158 WeakPolarHBondContact OD2-CB 3.48Å; N158-K160 PolarHBondContact O-N 2.93Å; N158-K160 WeakPolarHBondContact OD1-CB 3.48Å; N158-K160 PolarHBondContact OD1-N 3.34Å; N158-N161 HydrophobicContact CB-CB 4.22Å; N158-N161 WeakPolarHBondContact O-CB 3.43Å; N158-N161 PolarHBondContact O-N 3.09Å; N158-T181 WeakPolarHBondContact CB-OG1 3.26Å | ||
| 159 | P | 65.8 | Low | 80.1 | Confident | 66 Ų | 66 | 59.5 Ų | 59.5 | 43% | 0.429 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -23 | -177.5 | 27 | -36.4 | 0 | 0 | 0 | 113.8 | L157 N161 R446 | L157-P159 WeakPolarHBondContact O-CD 3.32Å; P159-N161 PolarHBondContact O-N 2.86Å; P159-R446 HydrophobicContact CG-CG 4.28Å |
| 160 | K | 68.6 | Low | 79.4 | Confident | 114 Ų | 114 | 59.2 Ų | 59.2 | 50% | 0.496 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -22.2 | 174.6 | -55.4 | 175.1 | -172.4 | -86.6 | 0 | 112.1 | N158 T162 E449 | N158-K160 PolarHBondContact O-N 2.93Å; N158-K160 WeakPolarHBondContact OD1-CB 3.48Å; N158-K160 PolarHBondContact OD1-N 3.34Å; K160-T162 PolarHBondContact O-N 3.09Å; K160-E449 WeakPolarHBondContact CE-OE2 3.47Å; K160-E449 IonicContact NZ-OE1 4Å; K160-E449 PolarHBondContact NZ-OE1 3.02Å; K160-E449 IonicContact NZ-OE2 3.97Å; K160-E449 PolarHBondContact NZ-OE2 2.94Å |
| 161 | N | 64.9 | Low | 78.3 | Confident | 17 Ų | 17 | 63.6 Ų | 63.6 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | trans | -85 | 80.7 | -172.8 | -165 | -0.4 | 0 | 0 | 0 | 112.4 | D155 N158 P159 T163 L165 | D155-N161 HydrophobicContact CB-CB 4.28Å; N158-N161 HydrophobicContact CB-CB 4.22Å; N158-N161 WeakPolarHBondContact O-CB 3.43Å; N158-N161 PolarHBondContact O-N 3.09Å; P159-N161 PolarHBondContact O-N 2.86Å; N161-T163 PolarHBondContact OD1-N 3.16Å; N161-T163 PolarHBondContact OD1-OG1 3.31Å; N161-L165 WeakPolarHBondContact ND2-CD2 3.38Å; N161-L165 WeakPolarHBondContact ND2-CG 3.13Å | ||
| 162 | T | 64.8 | Low | 76.9 | Confident | 119 Ų | 119 | 68 Ų | 68 | 73% | 0.73 | 33% | 0.334 | S | S | * | . | trans | -80.3 | -3.4 | 171.2 | 55.8 | 0 | 0 | 0 | 0 | 113.3 | K160 | K160-T162 PolarHBondContact O-N 3.09Š| ||
| 163 | T | 68.4 | Low | 75.8 | Confident | 85 Ų | 85 | 64.7 Ų | 64.7 | 52% | 0.521 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -89.7 | 165.6 | -175.6 | 73.4 | 0 | 0 | 0 | 0 | 112.5 | N161 | N161-T163 PolarHBondContact OD1-N 3.16Å; N161-T163 PolarHBondContact OD1-OG1 3.31Å |
| 164 | N | 81.9 | Confident | 74.9 | Confident | 67 Ų | 67 | 65.1 Ų | 65.1 | 36% | 0.358 | 33% | 0.332 | S | S | . | . | trans | -84.3 | 114.2 | 172.5 | -179.3 | 48.2 | 0 | 0 | 0 | 110.1 | R152 V153 | R152-N164 WeakPolarHBondContact CA-OD1 3.47Å; R152-N164 WeakPolarHBondContact CB-OD1 3.25Å; V153-N164 PolarHBondContact N-OD1 3.2Å; V153-N164 PolarHBondContact O-OD1 3.29Å | ||
| 165 | L | 87.2 | Confident | 74.7 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -66.3 | 144.9 | 172.2 | -68.8 | -172.2 | 0 | 0 | 0 | 111.1 | V153 D155 N161 V177 E178 D179 L180 | V153-L165 HydrophobicContact CB-CB 4.12Å; V153-L165 HydrophobicContact CG1-CB 4.25Å; V153-L165 PolarHBondContact O-N 3.1Å; D155-L165 HydrophobicContact CB-CD1 4.09Å; N161-L165 WeakPolarHBondContact ND2-CD2 3.38Å; N161-L165 WeakPolarHBondContact ND2-CG 3.13Å; L165-V177 HydrophobicContact CB-CG1 3.6Å; L165-V177 HydrophobicContact CD1-CG1 3.77Å; L165-V177 HydrophobicContact CG-CG1 4.33Å; L165-E178 WeakPolarHBondContact CD2-O 3.22Å; L165-D179 HydrophobicContact CD2-CB 3.82Å; L165-L180 HydrophobicContact CD1-CB 3.97Å; L165-L180 HydrophobicContact CD1-CD1 4.17Å |
| 166 | R | 85.5 | Confident | 74.4 | Confident | 171 Ų | 171 | 65.7 Ų | 65.7 | 65% | 0.645 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -96.9 | 131.5 | -176.2 | -66.1 | -177.1 | 176.8 | -162.4 | 0 | 110.4 | E178 | R166-E178 HydrophobicContact CB-CB 4.41Å; R166-E178 WeakPolarHBondContact O-CB 3.4Å; R166-E178 PolarHBondContact O-N 3.17Å |
| 167 | V | 87.3 | Confident | 74.5 | Confident | 23 Ų | 23 | 66.5 Ų | 66.5 | 14% | 0.139 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 128.5 | 165.7 | -175.2 | 0 | 0 | 0 | 0 | 109 | V153 Y176 V177 V309 W312 L313 | V153-V167 HydrophobicContact CG2-CG2 4.02Å; V167-Y176 CarbonylContact C-O 3.52Å; V167-Y176 WeakPolarHBondContact CA-O 3.4Å; V167-V177 HydrophobicContact CG2-CG2 4.38Å; V167-V309 HydrophobicContact CG2-CG1 3.97Å; V167-W312 HydrophobicContact CB-CE3 3.84Å; V167-W312 HydrophobicContact CB-CH2 4.3Å; V167-W312 HydrophobicContact CB-CZ3 3.64Å; V167-W312 HydrophobicContact CG1-CD2 3.82Å; V167-W312 HydrophobicContact CG1-CE3 3.47Å; V167-W312 VanDerWaalsContact CG1-CE3 3.47Å; V167-W312 HydrophobicContact CG1-CH2 4.01Å; V167-W312 HydrophobicContact CG1-CZ2 4.33Å; V167-W312 HydrophobicContact CG1-CZ3 3.58Å; V167-W312 VanDerWaalsContact O-CH2 3.3Å; V167-W312 WeakPolarHBondContact O-CH2 3.41Å; V167-W312 WeakPolarHBondContact O-CZ3 3.37Å; V167-L313 HydrophobicContact CG1-CD2 3.79Å; V167-L313 HydrophobicContact CG1-CG 4.23Å; V167-L313 HydrophobicContact CG2-CD1 4.06Å; V167-L313 HydrophobicContact CG2-CD2 4.09Å; V167-L313 HydrophobicContact CG2-CG 4.13Å |
| 168 | R | 83.7 | Confident | 74.3 | Confident | 111 Ų | 111 | 68.5 Ų | 68.5 | 42% | 0.419 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 173.4 | 173.5 | -67.3 | -169.2 | -177.3 | -151.4 | 9.5 | 109.3 | P175 Y176 E178 | R168-P175 CarbonylContact O-C 3.53Å; R168-P175 VanDerWaalsContact O-CA 3.3Å; R168-P175 WeakPolarHBondContact O-CA 3.46Å; R168-Y176 HydrophobicContact CB-CD1 4.14Å; R168-Y176 HydrophobicContact CB-CE1 3.52Å; R168-Y176 HydrophobicContact CB-CE2 4.34Å; R168-Y176 WeakPolarHBondContact CD-OH 3.47Å; R168-Y176 PolarHBondContact N-O 2.77Å; R168-Y176 PolarHBondContact O-N 2.72Å; R168-E178 VanDerWaalsContact CZ-CD 3.44Å; R168-E178 IonicContact CZ-OE1 3.84Å; R168-E178 IonicContact CZ-OE2 3.67Å; R168-E178 IonicContact NE-OE1 3.67Å; R168-E178 PolarHBondContact NE-OE1 2.73Å; R168-E178 VanDerWaalsContact NE-OE1 3.09Å; R168-E178 IonicContact NE-OE2 2.75Å; R168-E178 PolarHBondContact NE-OE2 3.19Å; R168-E178 IonicContact NH1-OE1 2.75Å; R168-E178 IonicContact NH2-OE1 2.79Å; R168-E178 PolarHBondContact NH2-OE1 3.04Å; R168-E178 IonicContact NH2-OE2 2.96Å; R168-E178 PolarHBondContact NH2-OE2 3.11Å |
| 169 | E | 77.6 | Confident | 74.5 | Confident | 67 Ų | 67 | 72.3 Ų | 72.3 | 31% | 0.313 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 119.4 | 176 | 179.5 | 171.8 | 177.7 | 0 | 0 | 108.9 | G174 R306 W312 R315 | E169-G174 WeakPolarHBondContact CA-O 3.29Å; E169-R306 IonicContact OE2-CZ 3.8Å; E169-R306 IonicContact OE2-NH1 2.72Å; E169-R306 PolarHBondContact OE2-NH1 3.31Å; E169-R306 IonicContact OE2-NH2 2.84Å; E169-R306 PolarHBondContact OE2-NH2 3.38Å; E169-W312 HydrophobicContact CB-CZ2 3.88Å; E169-W312 PolarHBondContact OE2-NE1 2.83Å; E169-W312 VanDerWaalsContact OE2-NE1 3.16Å; E169-R315 IonicContact OE1-CZ 2.74Å; E169-R315 IonicContact OE1-NH1 3.32Å; E169-R315 PolarHBondContact OE1-NH1 2.9Å; E169-R315 IonicContact OE2-NH1 3.08Å |
| 170 | H | 66.7 | Low | 75.5 | Confident | 54 Ų | 54 | 70.6 Ų | 70.6 | 25% | 0.25 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 137.6 | 178.9 | -176.1 | -107.8 | 0 | 0 | 0 | 109.6 | L172 L173 G174 Y176 | H170-L172 PolarHBondContact ND1-N 2.91Å; H170-L172 PolarHBondContact O-N 3.42Å; H170-L173 HydrophobicContact CB-CB 3.94Å; H170-L173 WeakPolarHBondContact ND1-CG 3.29Å; H170-L173 PolarHBondContact ND1-N 3.06Å; H170-L173 PolarHBondContact O-N 2.76Å; H170-G174 PolarHBondContact N-O 2.89Å; H170-G174 PolarHBondContact O-N 2.72Å; H170-G174 VanDerWaalsContact O-N 3.12Å; H170-Y176 HydrophobicContact CB-CD1 4.02Å; H170-Y176 HydrophobicContact CB-CE1 3.86Å |
| 171 | P | 56.4 | Low | 76.3 | Confident | 123 Ų | 123 | 66.1 Ų | 66.1 | 80% | 0.799 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -26.5 | -176.5 | -28.6 | 36.2 | 0 | 0 | 0 | 115.3 | ||
| 172 | L | 55.7 | Low | 77.3 | Confident | 129 Ų | 129 | 71.1 Ų | 71.1 | 68% | 0.675 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | -16.3 | -178.9 | -58.8 | 177 | 0 | 0 | 0 | 115.1 | H170 | H170-L172 PolarHBondContact ND1-N 2.91Å; H170-L172 PolarHBondContact O-N 3.42Å |
| 173 | L | 60.8 | Low | 78.4 | Confident | 70 Ų | 70 | 65.6 Ų | 65.6 | 37% | 0.366 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 6.6 | -173.3 | -60.5 | 169.9 | 0 | 0 | 0 | 113.1 | H170 | H170-L173 HydrophobicContact CB-CB 3.94Å; H170-L173 WeakPolarHBondContact ND1-CG 3.29Å; H170-L173 PolarHBondContact ND1-N 3.06Å; H170-L173 PolarHBondContact O-N 2.76Å |
| 174 | G | 69.1 | Low | 79.3 | Confident | 12 Ų | 12 | 61.9 Ų | 61.9 | 12% | 0.124 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 65 | -158.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E169 H170 | E169-G174 WeakPolarHBondContact CA-O 3.29Å; H170-G174 PolarHBondContact N-O 2.89Å; H170-G174 PolarHBondContact O-N 2.72Å; H170-G174 VanDerWaalsContact O-N 3.12Å |
| 175 | P | 82.5 | Confident | 79.6 | Confident | 15 Ų | 15 | 58.9 Ų | 58.9 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 131.2 | 177.6 | -23 | 38.2 | 0 | 0 | 0 | 112.3 | R168 W312 R315 | R168-P175 CarbonylContact O-C 3.53Å; R168-P175 VanDerWaalsContact O-CA 3.3Å; R168-P175 WeakPolarHBondContact O-CA 3.46Å; P175-W312 HydrophobicContact CB-CG 4.27Å; P175-W312 WeakPolarHBondContact CB-O 3.41Å; P175-W312 VanDerWaalsContact CG-CD1 3.44Å; P175-W312 HydrophobicContact CG-CG 4.38Å; P175-W312 VanDerWaalsContact CG-O 3.26Å; P175-W312 WeakPolarHBondContact CG-O 3.35Å; P175-R315 HydrophobicContact CG-CB 4.45Å |
| 176 | Y | 83.6 | Confident | 79.6 | Confident | 84 Ų | 84 | 61.8 Ų | 61.8 | 33% | 0.329 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 157.7 | 179.3 | 75.3 | -81 | 0 | 0 | 0 | 111.5 | V167 R168 H170 | V167-Y176 CarbonylContact C-O 3.52Å; V167-Y176 WeakPolarHBondContact CA-O 3.4Å; R168-Y176 HydrophobicContact CB-CD1 4.14Å; R168-Y176 HydrophobicContact CB-CE1 3.52Å; R168-Y176 HydrophobicContact CB-CE2 4.34Å; R168-Y176 WeakPolarHBondContact CD-OH 3.47Å; R168-Y176 PolarHBondContact N-O 2.77Å; R168-Y176 PolarHBondContact O-N 2.72Å; H170-Y176 HydrophobicContact CB-CD1 4.02Å; H170-Y176 HydrophobicContact CB-CE1 3.86Å |
| 177 | V | 87.5 | Confident | 79.8 | Confident | 18 Ų | 18 | 56.4 Ų | 56.4 | 11% | 0.109 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 122.7 | 173.7 | -171.5 | 0 | 0 | 0 | 0 | 108.8 | M146 V153 L165 V167 L180 L313 | M146-V177 HydrophobicContact CE-CG2 4.3Å; M146-V177 HydrophobicContact SD-CG2 3.74Å; V153-V177 HydrophobicContact CG1-CG1 3.95Å; V153-V177 HydrophobicContact CG1-CG2 4.35Å; L165-V177 HydrophobicContact CB-CG1 3.6Å; L165-V177 HydrophobicContact CD1-CG1 3.77Å; L165-V177 HydrophobicContact CG-CG1 4.33Å; V167-V177 HydrophobicContact CG2-CG2 4.38Å; V177-L180 HydrophobicContact CB-CB 3.88Å; V177-L180 HydrophobicContact CB-CD2 4.05Å; V177-L180 HydrophobicContact CG1-CB 3.84Å; V177-L180 HydrophobicContact CG2-CD2 4.31Å; V177-L313 HydrophobicContact CG2-CD1 4.02Å; V177-L313 HydrophobicContact CG2-CD2 3.69Å |
| 178 | E | 83 | Confident | 79.9 | Confident | 43 Ų | 43 | 57.7 Ų | 57.7 | 20% | 0.201 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 141.9 | 170.3 | 178 | 166.8 | -126 | 0 | 0 | 110.1 | L165 R166 R168 L180 | L165-E178 WeakPolarHBondContact CD2-O 3.22Å; R166-E178 HydrophobicContact CB-CB 4.41Å; R166-E178 WeakPolarHBondContact O-CB 3.4Å; R166-E178 PolarHBondContact O-N 3.17Å; R168-E178 VanDerWaalsContact CZ-CD 3.44Å; R168-E178 IonicContact CZ-OE1 3.84Å; R168-E178 IonicContact CZ-OE2 3.67Å; R168-E178 IonicContact NE-OE1 3.67Å; R168-E178 PolarHBondContact NE-OE1 2.73Å; R168-E178 VanDerWaalsContact NE-OE1 3.09Å; R168-E178 IonicContact NE-OE2 2.75Å; R168-E178 PolarHBondContact NE-OE2 3.19Å; R168-E178 IonicContact NH1-OE1 2.75Å; R168-E178 IonicContact NH2-OE1 2.79Å; R168-E178 PolarHBondContact NH2-OE1 3.04Å; R168-E178 IonicContact NH2-OE2 2.96Å; R168-E178 PolarHBondContact NH2-OE2 3.11Å; E178-L180 PolarHBondContact O-N 2.88Å; E178-L180 VanDerWaalsContact O-N 3.08Å |
| 179 | D | 82.8 | Confident | 80.2 | Confident | 122 Ų | 122 | 57.3 Ų | 57.3 | 65% | 0.652 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 20.1 | 178.6 | -52.9 | -36 | 0 | 0 | 0 | 116.7 | L165 | L165-D179 HydrophobicContact CD2-CB 3.82Š|
| 180 | L | 87.1 | Confident | 80.6 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 16% | 0.157 | 30% | 0.296 | C | S | . | . | trans | -75.3 | 125.9 | 171.3 | 177.6 | 62.4 | 0 | 0 | 0 | 111.2 | M146 D155 L165 V177 E178 K182 | M146-L180 HydrophobicContact CB-CD1 3.93Å; M146-L180 HydrophobicContact CE-CD2 4.48Å; M146-L180 HydrophobicContact CG-CD2 4.45Å; M146-L180 HydrophobicContact SD-CD2 3.76Å; D155-L180 HydrophobicContact CB-CD1 4.25Å; L165-L180 HydrophobicContact CD1-CB 3.97Å; L165-L180 HydrophobicContact CD1-CD1 4.17Å; V177-L180 HydrophobicContact CB-CB 3.88Å; V177-L180 HydrophobicContact CB-CD2 4.05Å; V177-L180 HydrophobicContact CG1-CB 3.84Å; V177-L180 HydrophobicContact CG2-CD2 4.31Å; E178-L180 PolarHBondContact O-N 2.88Å; E178-L180 VanDerWaalsContact O-N 3.08Å; L180-K182 PolarHBondContact O-N 3.49Å | ||
| 181 | T | 86.6 | Confident | 81.7 | Confident | 20 Ų | 20 | 53.7 Ų | 53.7 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | trans | -66.4 | 128.4 | -179.7 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | S144 D155 N158 L183 | S144-T181 WeakPolarHBondContact CB-O 3.14Å; D155-T181 WeakPolarHBondContact OD2-CB 3.21Å; D155-T181 PolarHBondContact OD2-N 2.85Å; D155-T181 PolarHBondContact OD2-OG1 2.94Å; N158-T181 WeakPolarHBondContact CB-OG1 3.26Å; T181-L183 HydrophobicContact CG2-CD2 3.57Å; T181-L183 HydrophobicContact CG2-CG 3.86Å | ||
| 182 | K | 86.1 | Confident | 83.2 | Confident | 123 Ų | 123 | 48.9 Ų | 48.9 | 54% | 0.535 | 25% | 0.253 | S | S | . | . | trans | -112.6 | 130.1 | 164.6 | -53.8 | 179.4 | -165.8 | 167 | 0 | 108.3 | E142 V143 L180 | E142-K182 WeakPolarHBondContact OE2-CD 3.44Å; V143-K182 CarbonylContact O-C 3.57Å; V143-K182 VanDerWaalsContact O-CA 3.3Å; V143-K182 WeakPolarHBondContact O-CA 3.32Å; L180-K182 PolarHBondContact O-N 3.49Å | ||
| 183 | L | 86.5 | Confident | 84.6 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 136 | 178.6 | -61.4 | -179 | 0 | 0 | 0 | 110.2 | E142 V143 L157 T181 L194 T439 I442 | E142-L183 CarbonylContact C-O 3.04Å; E142-L183 WeakPolarHBondContact CA-O 3.27Å; V143-L183 PolarHBondContact N-O 3.33Å; V143-L183 PolarHBondContact O-N 3.04Å; L157-L183 HydrophobicContact CB-CD1 4.49Å; L157-L183 HydrophobicContact CD1-CD1 4.1Å; L157-L183 HydrophobicContact CD1-CG 4.32Å; T181-L183 HydrophobicContact CG2-CD2 3.57Å; T181-L183 HydrophobicContact CG2-CG 3.86Å; L183-L194 HydrophobicContact CB-CD1 4.09Å; L183-L194 HydrophobicContact CD1-CD1 3.79Å; L183-L194 HydrophobicContact CD1-CD2 3.44Å; L183-L194 VanDerWaalsContact CD1-CD2 3.44Å; L183-L194 HydrophobicContact CD1-CG 4.28Å; L183-T439 HydrophobicContact CB-CG2 3.99Å; L183-T439 HydrophobicContact CD2-CG2 4.21Å; L183-T439 HydrophobicContact CG-CG2 4.46Å; L183-I442 HydrophobicContact CD2-CD1 3.92Å; L183-I442 HydrophobicContact CD2-CG2 4.35Å |
| 184 | A | 86.9 | Confident | 85.9 | Confident | 6 Ų | 6 | 43 Ų | 43 | 5% | 0.05 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 130.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | W432 K435 T439 | A184-W432 HydrophobicContact CB-CE3 4.25Å; A184-W432 HydrophobicContact CB-CH2 3.63Å; A184-W432 HydrophobicContact CB-CZ2 4.3Å; A184-W432 HydrophobicContact CB-CZ3 3.6Å; A184-K435 HydrophobicContact CB-CB 3.94Å; A184-T439 PolarHBondContact N-OG1 2.93Å; A184-T439 VanDerWaalsContact N-OG1 3.12Å |
| 185 | V | 89.6 | Confident | 86.8 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 145.6 | -177.5 | -67.1 | 0 | 0 | 0 | 0 | 111.5 | F124 V141 V143 D190 I191 L194 | F124-V185 HydrophobicContact CE2-CG2 4.47Å; F124-V185 HydrophobicContact CZ-CB 4.35Å; F124-V185 HydrophobicContact CZ-CG2 3.97Å; V141-V185 HydrophobicContact CB-CG2 3.83Å; V141-V185 HydrophobicContact CG1-CG2 3.61Å; V141-V185 WeakPolarHBondContact O-CG2 3.38Å; V141-V185 PolarHBondContact O-N 2.82Å; V143-V185 HydrophobicContact CG2-CB 4.3Å; V143-V185 HydrophobicContact CG2-CG1 3.75Å; V143-V185 HydrophobicContact CG2-CG2 3.52Å; V185-D190 HydrophobicContact CB-CB 3.96Å; V185-D190 HydrophobicContact CG1-CB 3.82Å; V185-I191 HydrophobicContact CB-CG1 4.11Å; V185-I191 HydrophobicContact CG1-CG1 4.16Å; V185-I191 HydrophobicContact CG2-CD1 3.94Å; V185-I191 HydrophobicContact CG2-CG1 3.81Å; V185-L194 HydrophobicContact CG1-CD1 3.83Å |
| 186 | T | 86.2 | Confident | 86.8 | Confident | 70 Ų | 70 | 44.8 Ų | 44.8 | 43% | 0.429 | 23% | 0.229 | S | C | . | . | trans | -119.8 | -23.8 | -173.4 | 64.3 | 0 | 0 | 0 | 0 | 112.9 | F124 D190 W432 L436 | F124-T186 WeakPolarHBondContact CE1-O 3.38Å; T186-D190 WeakPolarHBondContact CA-OD2 3.45Å; T186-D190 PolarHBondContact N-OD2 3.4Å; T186-D190 PolarHBondContact OG1-OD2 2.92Å; T186-W432 HydrophobicContact CG2-CZ2 4.33Å; T186-L436 HydrophobicContact CG2-CD1 3.88Å | ||
| 187 | T | 89.1 | Confident | 86.6 | Confident | 58 Ų | 58 | 43 Ų | 43 | 36% | 0.356 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -132.5 | 160.8 | 179.7 | 85 | 0 | 0 | 0 | 0 | 112.6 | F124 Q189 D190 I191 | F124-T187 WeakPolarHBondContact CE2-O 3.25Å; T187-Q189 PolarHBondContact O-N 3.09Å; T187-Q189 PolarHBondContact OG1-N 2.98Å; T187-Q189 VanDerWaalsContact OG1-N 3.09Å; T187-D190 PolarHBondContact N-OD2 2.92Å; T187-D190 WeakPolarHBondContact O-CB 3.31Å; T187-D190 PolarHBondContact O-N 2.94Å; T187-D190 PolarHBondContact OG1-N 2.75Å; T187-D190 VanDerWaalsContact OG1-N 3.16Å; T187-D190 PolarHBondContact OG1-OD1 2.87Å; T187-I191 PolarHBondContact O-N 2.83Å |
| 188 | Y | 90.7 | Very high | 86.3 | Confident | 49 Ų | 49 | 42.1 Ų | 42.1 | 19% | 0.192 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.4 | -33.8 | 168.6 | 168.8 | -98.3 | 0 | 0 | 0 | 112.4 | P117 C120 K121 F124 D190 I191 S192 | P117-Y188 WeakPolarHBondContact O-CE2 3.37Å; C120-Y188 HydrophobicContact CB-CD2 4.1Å; C120-Y188 HydrophobicContact CB-CE2 4.17Å; K121-Y188 VanDerWaalsContact CA-CD2 3.45Å; K121-Y188 HydrophobicContact CB-CD2 3.76Å; K121-Y188 HydrophobicContact CB-CE2 3.77Å; K121-Y188 HydrophobicContact CB-CG 4.4Å; K121-Y188 HydrophobicContact CG-CD2 4.48Å; F124-Y188 VanDerWaalsContact CD2-N 3.31Å; Y188-D190 VanDerWaalsContact C-N 3.34Å; Y188-D190 PolarHBondContact O-N 3.07Å; Y188-I191 PolarHBondContact O-N 2.84Å; Y188-S192 PolarHBondContact O-N 3.03Å |
| 189 | Q | 88.8 | Confident | 86.1 | Confident | 104 Ų | 104 | 42.5 Ų | 42.5 | 49% | 0.486 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67 | -37.4 | -179.4 | -166.9 | 61.5 | 50.4 | 0 | 0 | 111.4 | T187 I191 S192 N193 | T187-Q189 PolarHBondContact O-N 3.09Å; T187-Q189 PolarHBondContact OG1-N 2.98Å; T187-Q189 VanDerWaalsContact OG1-N 3.09Å; Q189-I191 VanDerWaalsContact C-N 3.27Å; Q189-I191 PolarHBondContact O-N 3.19Å; Q189-S192 PolarHBondContact O-N 3.11Å; Q189-N193 PolarHBondContact NE2-OD1 2.93Å; Q189-N193 WeakPolarHBondContact O-CB 2.86Å; Q189-N193 PolarHBondContact O-N 3.28Å; Q189-N193 PolarHBondContact O-OD1 3.14Å |
| 190 | D | 87.9 | Confident | 85.7 | Confident | 44 Ų | 44 | 43.3 Ų | 43.3 | 24% | 0.235 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.5 | -45.8 | 174 | -46.3 | -10.7 | 0 | 0 | 0 | 109.8 | V185 T186 T187 Y188 L194 | V185-D190 HydrophobicContact CB-CB 3.96Å; V185-D190 HydrophobicContact CG1-CB 3.82Å; T186-D190 WeakPolarHBondContact CA-OD2 3.45Å; T186-D190 PolarHBondContact N-OD2 3.4Å; T186-D190 PolarHBondContact OG1-OD2 2.92Å; T187-D190 PolarHBondContact N-OD2 2.92Å; T187-D190 WeakPolarHBondContact O-CB 3.31Å; T187-D190 PolarHBondContact O-N 2.94Å; T187-D190 PolarHBondContact OG1-N 2.75Å; T187-D190 VanDerWaalsContact OG1-N 3.16Å; T187-D190 PolarHBondContact OG1-OD1 2.87Å; Y188-D190 VanDerWaalsContact C-N 3.34Å; Y188-D190 PolarHBondContact O-N 3.07Å; D190-L194 VanDerWaalsContact O-CG 3.3Å; D190-L194 WeakPolarHBondContact O-CG 3.5Å; D190-L194 PolarHBondContact O-N 2.93Å; D190-L194 VanDerWaalsContact O-N 3.15Å |
| 191 | I | 89.4 | Confident | 85 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.1 | -43.8 | 176.7 | -63.8 | -166.6 | 0 | 0 | 0 | 111.9 | C120 F124 V143 V185 T187 Y188 Q189 N193 L194 I195 F220 L222 | C120-I191 HydrophobicContact CB-CD1 4.32Å; C120-I191 HydrophobicContact CB-CG2 3.95Å; F124-I191 HydrophobicContact CD2-CD1 4.37Å; F124-I191 HydrophobicContact CE2-CD1 3.53Å; F124-I191 HydrophobicContact CE2-CG1 3.89Å; F124-I191 HydrophobicContact CZ-CD1 4.34Å; V143-I191 HydrophobicContact CG2-CD1 3.97Å; V143-I191 HydrophobicContact CG2-CG1 3.92Å; V185-I191 HydrophobicContact CB-CG1 4.11Å; V185-I191 HydrophobicContact CG1-CG1 4.16Å; V185-I191 HydrophobicContact CG2-CD1 3.94Å; V185-I191 HydrophobicContact CG2-CG1 3.81Å; T187-I191 PolarHBondContact O-N 2.83Å; Y188-I191 PolarHBondContact O-N 2.84Å; Q189-I191 VanDerWaalsContact C-N 3.27Å; Q189-I191 PolarHBondContact O-N 3.19Å; I191-N193 VanDerWaalsContact C-N 3.31Å; I191-N193 PolarHBondContact O-N 3.31Å; I191-L194 PolarHBondContact O-N 3.42Å; I191-I195 HydrophobicContact CG2-CD1 3.63Å; I191-I195 HydrophobicContact CG2-CG1 4.1Å; I191-I195 WeakPolarHBondContact O-CG1 3.32Å; I191-I195 PolarHBondContact O-N 3.28Å; I191-F220 HydrophobicContact CG2-CZ 3.87Å; I191-L222 HydrophobicContact CD1-CD2 3.94Å |
| 192 | S | 87.1 | Confident | 84.3 | Confident | 23 Ų | 23 | 43.3 Ų | 43.3 | 16% | 0.161 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.6 | -46.7 | 179.1 | -161.4 | 0 | 0 | 0 | 0 | 110.8 | Y188 Q189 L194 I195 D196 | Y188-S192 PolarHBondContact O-N 3.03Å; Q189-S192 PolarHBondContact O-N 3.11Å; S192-L194 PolarHBondContact O-N 3.04Å; S192-I195 PolarHBondContact O-N 2.69Å; S192-D196 PolarHBondContact O-N 3.26Å |
| 193 | N | 86 | Confident | 83 | Confident | 59 Ų | 59 | 39.7 Ų | 39.7 | 32% | 0.316 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.7 | -42.7 | 177.5 | -63.4 | -2.2 | 0 | 0 | 0 | 111.7 | Q189 I191 D196 E197 | Q189-N193 PolarHBondContact NE2-OD1 2.93Å; Q189-N193 WeakPolarHBondContact O-CB 2.86Å; Q189-N193 PolarHBondContact O-N 3.28Å; Q189-N193 PolarHBondContact O-OD1 3.14Å; I191-N193 VanDerWaalsContact C-N 3.31Å; I191-N193 PolarHBondContact O-N 3.31Å; N193-D196 PolarHBondContact O-N 3.19Å; N193-E197 WeakPolarHBondContact O-CB 3.44Å; N193-E197 WeakPolarHBondContact O-CG 3.39Å; N193-E197 PolarHBondContact O-N 3.24Å |
| 194 | L | 88.1 | Confident | 81.3 | Confident | 15 Ų | 15 | 43.8 Ų | 43.8 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.2 | -31.7 | 177.8 | -69.7 | 177.1 | 0 | 0 | 0 | 113.7 | V143 L157 L183 V185 D190 I191 S192 G198 | V143-L194 HydrophobicContact CB-CD1 4.47Å; L157-L194 HydrophobicContact CD2-CB 4.15Å; L157-L194 HydrophobicContact CD2-CD2 4.36Å; L183-L194 HydrophobicContact CB-CD1 4.09Å; L183-L194 HydrophobicContact CD1-CD1 3.79Å; L183-L194 HydrophobicContact CD1-CD2 3.44Å; L183-L194 VanDerWaalsContact CD1-CD2 3.44Å; L183-L194 HydrophobicContact CD1-CG 4.28Å; V185-L194 HydrophobicContact CG1-CD1 3.83Å; D190-L194 VanDerWaalsContact O-CG 3.3Å; D190-L194 WeakPolarHBondContact O-CG 3.5Å; D190-L194 PolarHBondContact O-N 2.93Å; D190-L194 VanDerWaalsContact O-N 3.15Å; I191-L194 PolarHBondContact O-N 3.42Å; S192-L194 PolarHBondContact O-N 3.04Å; L194-G198 PolarHBondContact O-N 2.94Å |
| 195 | I | 86.5 | Confident | 79.3 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.7 | -45.4 | 170.8 | -74.4 | 170.6 | 0 | 0 | 0 | 109.5 | M105 I116 I191 S192 G198 N199 F220 | M105-I195 HydrophobicContact CE-CG2 3.87Å; M105-I195 HydrophobicContact SD-CG2 3.5Å; M105-I195 VanDerWaalsContact SD-CG2 3.5Å; I116-I195 HydrophobicContact CG2-CD1 3.68Å; I191-I195 HydrophobicContact CG2-CD1 3.63Å; I191-I195 HydrophobicContact CG2-CG1 4.1Å; I191-I195 WeakPolarHBondContact O-CG1 3.32Å; I191-I195 PolarHBondContact O-N 3.28Å; S192-I195 PolarHBondContact O-N 2.69Å; I195-G198 PolarHBondContact O-N 2.86Å; I195-N199 WeakPolarHBondContact CG2-ND2 3.42Å; I195-N199 VanDerWaalsContact O-CB 3.27Å; I195-N199 WeakPolarHBondContact O-CB 3.39Å; I195-N199 PolarHBondContact O-N 2.91Å; I195-N199 PolarHBondContact O-ND2 3.37Å; I195-F220 HydrophobicContact CD1-CE2 4.2Å; I195-F220 HydrophobicContact CD1-CZ 4.02Å; I195-F220 HydrophobicContact CG1-CD2 4.33Å; I195-F220 HydrophobicContact CG1-CE2 3.61Å; I195-F220 HydrophobicContact CG1-CZ 3.93Å |
| 196 | D | 82.7 | Confident | 76.9 | Confident | 59 Ų | 59 | 46.6 Ų | 46.6 | 32% | 0.316 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.7 | -42.3 | 179.8 | -68.9 | -34.5 | 0 | 0 | 0 | 112.4 | S192 N193 K200 | S192-D196 PolarHBondContact O-N 3.26Å; N193-D196 PolarHBondContact O-N 3.19Å; D196-K200 WeakPolarHBondContact O-CB 3.45Å; D196-K200 VanDerWaalsContact O-CD 3.24Å; D196-K200 WeakPolarHBondContact O-CD 3.44Å; D196-K200 WeakPolarHBondContact O-CG 3.13Å; D196-K200 PolarHBondContact O-N 2.97Å |
| 197 | E | 80.5 | Confident | 74.9 | Confident | 45 Ų | 45 | 43.9 Ų | 43.9 | 21% | 0.21 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.5 | -46.1 | 170.3 | -78.9 | -179.5 | -149.6 | 0 | 0 | 111.8 | N193 K200 S201 R446 | N193-E197 WeakPolarHBondContact O-CB 3.44Å; N193-E197 WeakPolarHBondContact O-CG 3.39Å; N193-E197 PolarHBondContact O-N 3.24Å; E197-K200 PolarHBondContact O-N 3Å; E197-S201 WeakPolarHBondContact O-CB 3.22Å; E197-S201 PolarHBondContact O-N 3.38Å; E197-S201 VanDerWaalsContact O-N 3.16Å; E197-S201 PolarHBondContact O-OG 3.43Å; E197-R446 IonicContact OE2-CZ 3.28Å; E197-R446 IonicContact OE2-NE 3.49Å; E197-R446 IonicContact OE2-NH1 3.11Å; E197-R446 PolarHBondContact OE2-NH1 2.87Å |
| 198 | G | 80.2 | Confident | 72.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.4 | -37.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L156 L194 I195 S201 R202 | L156-G198 WeakPolarHBondContact O-CA 3.35Å; L194-G198 PolarHBondContact O-N 2.94Å; I195-G198 PolarHBondContact O-N 2.86Å; G198-S201 PolarHBondContact O-N 3.36Å; G198-S201 VanDerWaalsContact O-N 3.1Å; G198-R202 PolarHBondContact O-N 2.9Å |
| 199 | N | 79 | Confident | 70.7 | Confident | 52 Ų | 52 | 48.3 Ų | 48.3 | 28% | 0.278 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 174.4 | -72.6 | -22.2 | 0 | 0 | 0 | 111.5 | Y145 I195 S201 R202 | Y145-N199 PolarHBondContact OH-OD1 3.27Å; I195-N199 WeakPolarHBondContact CG2-ND2 3.42Å; I195-N199 VanDerWaalsContact O-CB 3.27Å; I195-N199 WeakPolarHBondContact O-CB 3.39Å; I195-N199 PolarHBondContact O-N 2.91Å; I195-N199 PolarHBondContact O-ND2 3.37Å; N199-S201 PolarHBondContact O-N 3.22Å; N199-R202 PolarHBondContact O-N 3.42Å |
| 200 | K | 74.3 | Confident | 68.8 | Low | 138 Ų | 138 | 47.9 Ų | 47.9 | 60% | 0.6 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.4 | -22.2 | 171.9 | -69.2 | 160.8 | -168.8 | 168.2 | 0 | 112.9 | D196 E197 | D196-K200 WeakPolarHBondContact O-CB 3.45Å; D196-K200 VanDerWaalsContact O-CD 3.24Å; D196-K200 WeakPolarHBondContact O-CD 3.44Å; D196-K200 WeakPolarHBondContact O-CG 3.13Å; D196-K200 PolarHBondContact O-N 2.97Å; E197-K200 PolarHBondContact O-N 3Å |
| 201 | S | 72.7 | Confident | 66.9 | Low | 26 Ų | 26 | 48.4 Ų | 48.4 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -95.6 | -7.8 | -175.9 | -59.9 | 0 | 0 | 0 | 0 | 114.8 | R154 L156 E197 G198 N199 | R154-S201 VanDerWaalsContact CZ-O 3.32Å; R154-S201 PolarHBondContact NH1-O 2.88Å; R154-S201 PolarHBondContact NH2-O 3.28Å; L156-S201 WeakPolarHBondContact O-CB 3.47Å; E197-S201 WeakPolarHBondContact O-CB 3.22Å; E197-S201 PolarHBondContact O-N 3.38Å; E197-S201 VanDerWaalsContact O-N 3.16Å; E197-S201 PolarHBondContact O-OG 3.43Å; G198-S201 PolarHBondContact O-N 3.36Å; G198-S201 VanDerWaalsContact O-N 3.1Å; N199-S201 PolarHBondContact O-N 3.22Å |
| 202 | R | 72.6 | Confident | 65 | Low | 24 Ų | 24 | 52.6 Ų | 52.6 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -61.6 | 153.3 | 179.1 | -72.5 | -173.2 | 72 | 170.9 | -1.2 | 112.1 | E147 L156 G198 N199 V204 S216 D247 | E147-R202 IonicContact OE1-NE 2.73Å; L156-R202 HydrophobicContact CD1-CG 3.75Å; L156-R202 HydrophobicContact CD2-CB 4.35Å; L156-R202 HydrophobicContact CD2-CG 3.8Å; L156-R202 HydrophobicContact CG-CG 4.44Å; G198-R202 PolarHBondContact O-N 2.9Å; N199-R202 PolarHBondContact O-N 3.42Å; R202-V204 PolarHBondContact O-N 3.3Å; R202-V204 VanDerWaalsContact O-N 3.08Å; R202-S216 PolarHBondContact NH2-O 3.23Å; R202-S216 PolarHBondContact NH2-OG 2.76Å; R202-D247 IonicContact NH1-OD2 2.62Å |
| 203 | T | 58 | Low | 63.7 | Low | 47 Ų | 47 | 53 Ų | 53 | 29% | 0.288 | 29% | 0.294 | S | S | . | . | trans | -80.8 | 91.6 | -176.4 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | E147 Y149 R154 | E147-T203 PolarHBondContact OE1-N 2.89Å; E147-T203 VanDerWaalsContact OE1-N 3.14Å; E147-T203 WeakPolarHBondContact OE2-CB 3.22Å; E147-T203 PolarHBondContact OE2-N 2.94Å; E147-T203 PolarHBondContact OE2-OG1 3.22Å; Y149-T203 HydrophobicContact CD1-CG2 4.49Å; Y149-T203 HydrophobicContact CE1-CG2 4.38Å; R154-T203 PolarHBondContact NH1-OG1 2.78Å | ||
| 204 | V | 51.6 | Low | 62.7 | Low | 89 Ų | 89 | 50.7 Ų | 50.7 | 54% | 0.539 | 28% | 0.282 | S | S | . | . | trans | -66.8 | 131.9 | 175.7 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | R202 T212 | R202-V204 PolarHBondContact O-N 3.3Å; R202-V204 VanDerWaalsContact O-N 3.08Å; V204-T212 HydrophobicContact CG1-CG2 4.12Å; V204-T212 HydrophobicContact CG2-CG2 4.49Å | ||
| 205 | A | 43.7 | Very low | 61.8 | Low | 26 Ų | 26 | 51.4 Ų | 51.4 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | trans | -150.2 | 116.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T207 E211 | A205-T207 WeakPolarHBondContact O-CG2 3.42Å; A205-E211 CarbonylContact C-O 3.6Å; A205-E211 PolarHBondContact N-O 2.69Å; A205-E211 VanDerWaalsContact N-O 3.12Å; A205-E211 VanDerWaalsContact O-O 3.09Å | ||
| 206 | A | 40.5 | Very low | 61.5 | Low | 44 Ų | 44 | 51.2 Ų | 51.2 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | trans | -60.9 | 135 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E211 R263 | A206-E211 VanDerWaalsContact CA-OE1 3.25Å; A206-E211 WeakPolarHBondContact CA-OE1 3.42Å; A206-E211 WeakPolarHBondContact CB-OE1 3.24Å; A206-E211 WeakPolarHBondContact CB-OE2 3.18Å; A206-R263 PolarHBondContact O-NH2 3.41Å | ||
| 207 | T | 43.1 | Very low | 61.8 | Low | 12 Ų | 12 | 48.6 Ų | 48.6 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | trans | -154.3 | 137.8 | 178.9 | 106.9 | 0 | 0 | 0 | 0 | 110.9 | A205 M209 N210 E211 R215 | A205-T207 WeakPolarHBondContact O-CG2 3.42Å; T207-M209 PolarHBondContact O-N 2.94Å; T207-M209 PolarHBondContact OG1-N 3.47Å; T207-N210 WeakPolarHBondContact CG2-O 3.45Å; T207-N210 PolarHBondContact O-N 3.03Å; T207-N210 VanDerWaalsContact O-N 3.1Å; T207-N210 PolarHBondContact OG1-N 2.79Å; T207-N210 PolarHBondContact OG1-O 2.81Å; T207-E211 PolarHBondContact N-OE1 2.83Å; T207-R215 HydrophobicContact CG2-CG 4.36Å | ||
| 208 | N | 44.6 | Very low | 62.3 | Low | 149 Ų | 149 | 46.6 Ų | 46.6 | 80% | 0.797 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 7.7 | 177.8 | -60.4 | 23 | 0 | 0 | 0 | 115.7 | R16 | R16-N208 PolarHBondContact NH1-O 2.87Š|
| 209 | M | 47.6 | Very low | 62.8 | Low | 52 Ų | 52 | 47 Ų | 47 | 26% | 0.256 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.3 | 6.9 | -179.4 | -150.7 | 151.4 | 75.6 | 0 | 0 | 114.8 | T96 T207 E252 T257 | T96-M209 WeakPolarHBondContact CG2-O 3.44Å; T207-M209 PolarHBondContact O-N 2.94Å; T207-M209 PolarHBondContact OG1-N 3.47Å; M209-E252 HydrophobicContact CE-CB 4.13Å; M209-E252 HydrophobicContact CE-CG 3.58Å; M209-T257 HydrophobicContact CE-CG2 4.43Å |
| 210 | N | 47.9 | Very low | 63.6 | Low | 95 Ų | 95 | 44.6 Ų | 44.6 | 51% | 0.508 | 25% | 0.249 | S | C | . | . | trans | 127 | 146.8 | 174.7 | -73.3 | -65.5 | 0 | 0 | 0 | 111.3 | T96 T207 S214 | T96-N210 HydrophobicContact CG2-CB 3.72Å; T207-N210 WeakPolarHBondContact CG2-O 3.45Å; T207-N210 PolarHBondContact O-N 3.03Å; T207-N210 VanDerWaalsContact O-N 3.1Å; T207-N210 PolarHBondContact OG1-N 2.79Å; T207-N210 PolarHBondContact OG1-O 2.81Å; N210-S214 WeakPolarHBondContact O-CB 3.28Å; N210-S214 PolarHBondContact O-OG 3.08Å | ||
| 211 | E | 49.1 | Very low | 64.5 | Low | 54 Ų | 54 | 38.5 Ų | 38.5 | 25% | 0.252 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -121.5 | -18.3 | -153.5 | -47.7 | -139.1 | 130.5 | 0 | 0 | 116.9 | A205 A206 T207 | A205-E211 CarbonylContact C-O 3.6Å; A205-E211 PolarHBondContact N-O 2.69Å; A205-E211 VanDerWaalsContact N-O 3.12Å; A205-E211 VanDerWaalsContact O-O 3.09Å; A206-E211 VanDerWaalsContact CA-OE1 3.25Å; A206-E211 WeakPolarHBondContact CA-OE1 3.42Å; A206-E211 WeakPolarHBondContact CB-OE1 3.24Å; A206-E211 WeakPolarHBondContact CB-OE2 3.18Å; T207-E211 PolarHBondContact N-OE1 2.83Å |
| 212 | T | 49 | Very low | 65.5 | Low | 88 Ų | 88 | 37.3 Ų | 37.3 | 54% | 0.54 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -107.8 | -22.6 | -167.8 | 41 | 0 | 0 | 0 | 0 | 116.6 | V204 | V204-T212 HydrophobicContact CG1-CG2 4.12Å; V204-T212 HydrophobicContact CG2-CG2 4.49Å |
| 213 | S | 59.9 | Low | 66.4 | Low | 33 Ų | 33 | 37 Ų | 37 | 23% | 0.231 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -139.3 | -1.5 | 178.3 | 69.1 | 0 | 0 | 0 | 0 | 115 | S101 R215 | S101-S213 PolarHBondContact OG-OG 2.9Å; S213-R215 PolarHBondContact O-N 2.65Å |
| 214 | S | 64.5 | Low | 68 | Low | 9 Ų | 9 | 34.7 Ų | 34.7 | 6% | 0.063 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -32.4 | -167 | 49.3 | 0 | 0 | 0 | 0 | 114.6 | T96 N210 A249 G250 | T96-S214 VanDerWaalsContact CG2-CB 3.4Å; T96-S214 WeakPolarHBondContact OG1-CB 3.48Å; N210-S214 WeakPolarHBondContact O-CB 3.28Å; N210-S214 PolarHBondContact O-OG 3.08Å; S214-A249 CarbonylContact O-C 3.57Å; S214-A249 WeakPolarHBondContact O-CA 3.31Å; S214-G250 PolarHBondContact O-N 3.49Å |
| 215 | R | 69.2 | Low | 69.8 | Low | 30 Ų | 30 | 31.3 Ų | 31.3 | 11% | 0.113 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 2.1 | -164.2 | -72.3 | -164.6 | 177.1 | 176.5 | -1.5 | 115.8 | Y149 T207 S213 E266 I270 | Y149-R215 WeakPolarHBondContact CD2-O 3.08Å; Y149-R215 HydrophobicContact CE2-CB 4.42Å; T207-R215 HydrophobicContact CG2-CG 4.36Å; S213-R215 PolarHBondContact O-N 2.65Å; R215-E266 WeakPolarHBondContact CD-OE1 3.34Å; R215-E266 IonicContact CZ-OE1 3.27Å; R215-E266 IonicContact NE-OE1 2.93Å; R215-E266 IonicContact NH1-OE1 2.69Å; R215-E266 PolarHBondContact NH1-OE1 2.82Å; R215-E266 IonicContact NH1-OE2 2.7Å; R215-E266 PolarHBondContact NH1-OE2 3.23Å; R215-I270 HydrophobicContact CB-CD1 3.6Å; R215-I270 HydrophobicContact CG-CD1 3.85Å; R215-I270 VanDerWaalsContact O-CD1 3.28Å; R215-I270 WeakPolarHBondContact O-CD1 3.29Å; R215-I270 WeakPolarHBondContact O-CG1 3.39Å |
| 216 | S | 81.1 | Confident | 72 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -127.3 | 146.2 | 178.2 | 71.1 | 0 | 0 | 0 | 0 | 111.6 | E147 R202 | E147-S216 VanDerWaalsContact CG-CB 3.48Å; E147-S216 VanDerWaalsContact OE1-CB 3.28Å; E147-S216 WeakPolarHBondContact OE1-CB 3.25Å; E147-S216 PolarHBondContact OE1-OG 2.85Å; R202-S216 PolarHBondContact NH2-O 3.23Å; R202-S216 PolarHBondContact NH2-OG 2.76Å |
| 217 | H | 88.3 | Confident | 74.1 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 118.8 | 171.1 | -44.6 | -82 | 0 | 0 | 0 | 108.7 | E147 I148 D247 L248 A249 S273 L310 | E147-H217 CarbonylContact C-O 3.58Å; E147-H217 WeakPolarHBondContact CA-O 3.45Å; I148-H217 HydrophobicContact CB-CB 4.23Å; I148-H217 PolarHBondContact N-O 2.91Å; I148-H217 PolarHBondContact O-CD2 3Å; I148-H217 PolarHBondContact O-N 3.45Å; H217-D247 CarbonylContact C-O 3.56Å; H217-D247 WeakPolarHBondContact CA-O 3.34Å; H217-L248 HydrophobicContact CB-CD2 4.27Å; H217-L248 WeakPolarHBondContact ND1-CA 3.17Å; H217-L248 WeakPolarHBondContact ND1-CD2 3.47Å; H217-A249 PolarHBondContact ND1-N 3.46Å; H217-S273 PolarHBondContact CE1-OG 2.89Å; H217-S273 PolarHBondContact NE2-OG 2.93Å; H217-L310 HydrophobicContact CB-CD1 4.28Å |
| 218 | A | 90.7 | Very high | 76 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 128 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y145 V246 D247 | Y145-A218 HydrophobicContact CE2-CB 3.99Å; A218-V246 WeakPolarHBondContact O-CA 3.42Å; A218-D247 HydrophobicContact CB-CB 4.37Å; A218-D247 PolarHBondContact N-O 3.36Å; A218-D247 PolarHBondContact O-N 2.83Å |
| 219 | V | 92.5 | Very high | 77.4 | Confident | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 105.3 | 176.9 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | M146 I148 V246 | M146-V219 HydrophobicContact CE-CB 3.74Å; M146-V219 HydrophobicContact CE-CG1 3.54Å; M146-V219 HydrophobicContact CE-CG2 4.31Å; M146-V219 HydrophobicContact CG-CB 3.9Å; M146-V219 PolarHBondContact N-O 2.94Å; M146-V219 PolarHBondContact O-N 3.39Å; I148-V219 HydrophobicContact CD1-CG2 4.14Å; V219-V246 HydrophobicContact CG1-CG2 4.24Å; V219-V246 HydrophobicContact CG2-CG1 4.13Å; V219-V246 HydrophobicContact CG2-CG2 4.25Å |
| 220 | F | 94.1 | Very high | 78.3 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 118.3 | 173.9 | -177.3 | -96 | 0 | 0 | 0 | 108.4 | I116 V143 Y145 I191 I195 L222 L245 | I116-F220 HydrophobicContact CG2-CD1 3.87Å; I116-F220 HydrophobicContact CG2-CE1 3.88Å; I116-F220 HydrophobicContact CG2-CG 4.39Å; I116-F220 HydrophobicContact CG2-CZ 4.44Å; V143-F220 HydrophobicContact CG1-CD2 4.45Å; V143-F220 HydrophobicContact CG1-CE2 3.57Å; V143-F220 HydrophobicContact CG1-CZ 3.7Å; Y145-F220 HydrophobicContact CD1-CD2 4.14Å; Y145-F220 HydrophobicContact CD2-CB 3.79Å; Y145-F220 AromaticContact CD2-CD2 3.84Å; Y145-F220 HydrophobicContact CD2-CD2 3.84Å; Y145-F220 HydrophobicContact CD2-CG 4.33Å; Y145-F220 HydrophobicContact CE2-CB 3.97Å; Y145-F220 HydrophobicContact CE2-CD2 4.32Å; Y145-F220 AromaticContact CG-CD2 3.75Å; Y145-F220 HydrophobicContact CG-CD2 3.75Å; I191-F220 HydrophobicContact CG2-CZ 3.87Å; I195-F220 HydrophobicContact CD1-CE2 4.2Å; I195-F220 HydrophobicContact CD1-CZ 4.02Å; I195-F220 HydrophobicContact CG1-CD2 4.33Å; I195-F220 HydrophobicContact CG1-CE2 3.61Å; I195-F220 HydrophobicContact CG1-CZ 3.93Å; F220-L222 HydrophobicContact CD1-CG 4.42Å; F220-L222 HydrophobicContact CE1-CD1 4.24Å; F220-L222 HydrophobicContact CE1-CD2 3.52Å; F220-L222 HydrophobicContact CE1-CG 3.76Å; F220-L222 HydrophobicContact CZ-CD2 3.75Å; F220-L222 HydrophobicContact CZ-CG 4.48Å; F220-L245 HydrophobicContact CD1-CB 4.49Å; F220-L245 HydrophobicContact CD1-CD1 4.34Å; F220-L245 PolarHBondContact N-O 3.31Å; F220-L245 PolarHBondContact O-N 3.46Å |
| 221 | T | 93.5 | Very high | 79.4 | Confident | 11 Ų | 11 | 35.1 Ų | 35.1 | 7% | 0.067 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 122.2 | -175.5 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | S144 I243 | S144-T221 PolarHBondContact N-O 2.77Å; S144-T221 PolarHBondContact O-N 3.04Å; S144-T221 PolarHBondContact OG-O 2.85Å; T221-I243 VanDerWaalsContact CA-O 3.3Å; T221-I243 WeakPolarHBondContact CA-O 3.16Å |
| 222 | L | 93.8 | Very high | 79.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 142 | 168 | -53.2 | 172.3 | 0 | 0 | 0 | 109.3 | F119 L123 E142 V143 I191 F220 I243 | F119-L222 HydrophobicContact CD1-CD1 4.34Å; F119-L222 HydrophobicContact CE1-CD1 4.49Å; L123-L222 HydrophobicContact CD2-CD1 3.85Å; E142-L222 CarbonylContact O-C 3.57Å; E142-L222 WeakPolarHBondContact O-CA 3.36Å; V143-L222 HydrophobicContact CB-CD2 4.39Å; V143-L222 HydrophobicContact CG1-CD2 4.2Å; V143-L222 HydrophobicContact CG2-CD2 3.79Å; I191-L222 HydrophobicContact CD1-CD2 3.94Å; F220-L222 HydrophobicContact CD1-CG 4.42Å; F220-L222 HydrophobicContact CE1-CD1 4.24Å; F220-L222 HydrophobicContact CE1-CD2 3.52Å; F220-L222 HydrophobicContact CE1-CG 3.76Å; F220-L222 HydrophobicContact CZ-CD2 3.75Å; F220-L222 HydrophobicContact CZ-CG 4.48Å; L222-I243 HydrophobicContact CB-CB 4.22Å; L222-I243 HydrophobicContact CB-CD1 4.03Å; L222-I243 PolarHBondContact N-O 3.31Å; L222-I243 PolarHBondContact O-N 2.92Å |
| 223 | V | 91.4 | Very high | 79.9 | Confident | 17 Ų | 17 | 40.9 Ų | 40.9 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 111.3 | 165.2 | -174.6 | 0 | 0 | 0 | 0 | 107.4 | V141 E142 V240 R242 | V141-V223 WeakPolarHBondContact CA-O 3.41Å; E142-V223 HydrophobicContact CB-CB 4.24Å; E142-V223 PolarHBondContact N-O 3.32Å; E142-V223 PolarHBondContact O-N 3.06Å; V223-V240 HydrophobicContact CG1-CG1 3.74Å; V223-R242 HydrophobicContact CG2-CG 4.43Å |
| 224 | L | 92.7 | Very high | 79.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 121.2 | 171.7 | 174.8 | 63.4 | 0 | 0 | 0 | 108.6 | F83 L123 I127 Y139 V141 Q226 V240 S241 I243 | F83-L224 HydrophobicContact CD1-CD2 4.27Å; F83-L224 HydrophobicContact CE1-CD2 4.27Å; F83-L224 HydrophobicContact CG-CD2 4.42Å; F83-L224 HydrophobicContact CZ-CD2 4.4Å; L123-L224 HydrophobicContact CD1-CD1 4.18Å; L123-L224 HydrophobicContact CD1-CD2 3.99Å; I127-L224 HydrophobicContact CD1-CD1 4.11Å; Y139-L224 HydrophobicContact CD1-CD1 3.97Å; V141-L224 HydrophobicContact CG2-CD1 4.02Å; L224-Q226 HydrophobicContact CD1-CG 4.47Å; L224-Q226 HydrophobicContact CD2-CG 4.35Å; L224-Q226 HydrophobicContact CG-CG 4.09Å; L224-V240 CarbonylContact O-C 3.58Å; L224-V240 WeakPolarHBondContact O-CA 3.32Å; L224-S241 PolarHBondContact N-O 3.49Å; L224-S241 PolarHBondContact O-N 2.91Å; L224-I243 HydrophobicContact CB-CD1 4.24Å |
| 225 | T | 88.9 | Confident | 79.5 | Confident | 17 Ų | 17 | 49.9 Ų | 49.9 | 10% | 0.104 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.9 | 171.1 | -70.3 | 0 | 0 | 0 | 0 | 109.2 | Y139 S140 R227 E238 K239 V240 | Y139-T225 WeakPolarHBondContact CA-O 3.26Å; S140-T225 PolarHBondContact N-O 2.89Å; S140-T225 PolarHBondContact O-N 2.84Å; S140-T225 WeakPolarHBondContact OG-CB 3.48Å; T225-R227 HydrophobicContact CG2-CG 4.26Å; T225-E238 HydrophobicContact CG2-CB 4.06Å; T225-E238 WeakPolarHBondContact CG2-OE2 3.42Å; T225-K239 WeakPolarHBondContact CA-O 3.25Å; T225-V240 HydrophobicContact CG2-CG2 4.48Å |
| 226 | Q | 89.8 | Confident | 79.4 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 112.3 | -178.4 | -44.8 | -177 | 69.6 | 0 | 0 | 108.3 | F83 L137 Y139 L224 E238 K239 | F83-Q226 PolarHBondContact O-NE2 3Å; F83-Q226 PolarHBondContact O-OE1 2.99Å; L137-Q226 HydrophobicContact CD1-CB 4.41Å; Y139-Q226 HydrophobicContact CD1-CB 4.18Å; Y139-Q226 HydrophobicContact CD1-CG 3.84Å; Y139-Q226 HydrophobicContact CE1-CB 4.04Å; Y139-Q226 HydrophobicContact CE1-CG 3.64Å; L224-Q226 HydrophobicContact CD1-CG 4.47Å; L224-Q226 HydrophobicContact CD2-CG 4.35Å; L224-Q226 HydrophobicContact CG-CG 4.09Å; Q226-E238 CarbonylContact O-C 3.6Å; Q226-E238 VanDerWaalsContact O-CA 3.26Å; Q226-E238 WeakPolarHBondContact O-CA 3.26Å; Q226-K239 HydrophobicContact CB-CB 4.46Å; Q226-K239 PolarHBondContact N-O 2.91Å; Q226-K239 PolarHBondContact O-N 3.5Å |
| 227 | R | 84.7 | Confident | 78.8 | Confident | 84 Ų | 84 | 57.5 Ų | 57.5 | 32% | 0.317 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 109.7 | -179.7 | -69.7 | 177.1 | 169.5 | 168.5 | -7 | 109.8 | L137 T138 T225 T237 E238 | L137-R227 WeakPolarHBondContact CA-O 3.46Å; T138-R227 PolarHBondContact N-O 3.19Å; T138-R227 PolarHBondContact O-N 2.81Å; T138-R227 WeakPolarHBondContact OG1-CB 3.5Å; T225-R227 HydrophobicContact CG2-CG 4.26Å; R227-T237 CarbonylContact C-O 3.6Å; R227-T237 WeakPolarHBondContact CA-O 3.45Å; R227-E238 HydrophobicContact CG-CB 4.07Å; R227-E238 HydrophobicContact CG-CG 3.97Å; R227-E238 IonicContact CZ-OE1 2.75Å; R227-E238 IonicContact NE-OE1 2.72Å; R227-E238 PolarHBondContact NE-OE1 3.03Å; R227-E238 IonicContact NE-OE2 2.68Å; R227-E238 IonicContact NH2-OE1 3.61Å; R227-E238 PolarHBondContact NH2-OE1 3.04Å; R227-E238 IonicContact NH2-OE2 3.12Å |
| 228 | R | 81.9 | Confident | 78.3 | Confident | 115 Ų | 115 | 58.9 Ų | 58.9 | 43% | 0.434 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 119 | 168.7 | -178.6 | 175.4 | -90.9 | -173.9 | -3.6 | 109.4 | E134 N136 L137 T237 | E134-R228 VanDerWaalsContact CD-NH2 3.33Å; E134-R228 IonicContact OE1-NH2 2.84Å; E134-R228 PolarHBondContact OE1-NH2 2.78Å; E134-R228 IonicContact OE2-CZ 3.3Å; E134-R228 IonicContact OE2-NE 3.58Å; E134-R228 IonicContact OE2-NH2 3.64Å; E134-R228 PolarHBondContact OE2-NH2 2.89Å; N136-R228 WeakPolarHBondContact O-CA 3.44Å; L137-R228 HydrophobicContact CD1-CB 4.01Å; R228-T237 PolarHBondContact N-O 2.83Å; R228-T237 PolarHBondContact O-N 2.87Å; R228-T237 PolarHBondContact O-OG1 3.47Å; R228-T237 VanDerWaalsContact O-OG1 3.1Å |
| 229 | H | 75.4 | Confident | 78 | Confident | 51 Ų | 51 | 62 Ų | 62 | 24% | 0.236 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 126.5 | 163.1 | -179.2 | -91.6 | 0 | 0 | 0 | 109.2 | N136 N234 | N136-H229 HydrophobicContact CB-CB 4.3Å; N136-H229 PolarHBondContact ND2-O 2.89Å; N136-H229 PolarHBondContact O-N 2.79Å; H229-N234 PolarHBondContact CE1-OD1 2.94Å; H229-N234 PolarHBondContact NE2-OD1 2.92Å |
| 230 | D | 66.4 | Low | 77.7 | Confident | 53 Ų | 53 | 62.5 Ų | 62.5 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 114.9 | 173.1 | 177.3 | 5.8 | 0 | 0 | 0 | 109.7 | E232 T233 N234 L235 | D230-E232 VanDerWaalsContact C-N 3.27Å; D230-E232 PolarHBondContact O-N 2.89Å; D230-E232 PolarHBondContact OD1-N 2.95Å; D230-T233 WeakPolarHBondContact CB-OG1 3.5Å; D230-T233 WeakPolarHBondContact OD2-CB 3.37Å; D230-T233 VanDerWaalsContact OD2-CG2 3.26Å; D230-T233 WeakPolarHBondContact OD2-CG2 3.29Å; D230-T233 PolarHBondContact OD2-OG1 3.35Å; D230-N234 WeakPolarHBondContact O-CA 3.19Å; D230-N234 PolarHBondContact O-N 2.89Å; D230-L235 PolarHBondContact N-O 2.82Å |
| 231 | L | 71.4 | Confident | 77.5 | Confident | 139 Ų | 139 | 62.4 Ų | 62.4 | 73% | 0.728 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -21.5 | -178.7 | -65.7 | 170.1 | 0 | 0 | 0 | 113.2 | ||
| 232 | E | 57.2 | Low | 77.4 | Confident | 186 Ų | 186 | 66 Ų | 66 | 87% | 0.869 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -41.9 | -179.1 | -63.7 | -171.9 | -178 | 0 | 0 | 112 | D230 | D230-E232 VanDerWaalsContact C-N 3.27Å; D230-E232 PolarHBondContact O-N 2.89Å; D230-E232 PolarHBondContact OD1-N 2.95Å |
| 233 | T | 50.4 | Low | 77.4 | Confident | 77 Ų | 77 | 66 Ų | 66 | 47% | 0.472 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -12.9 | -179.7 | 65 | 0 | 0 | 0 | 0 | 114.2 | D230 L235 | D230-T233 WeakPolarHBondContact CB-OG1 3.5Å; D230-T233 WeakPolarHBondContact OD2-CB 3.37Å; D230-T233 VanDerWaalsContact OD2-CG2 3.26Å; D230-T233 WeakPolarHBondContact OD2-CG2 3.29Å; D230-T233 PolarHBondContact OD2-OG1 3.35Å; T233-L235 PolarHBondContact O-N 2.91Å; T233-L235 WeakPolarHBondContact OG1-CB 3.47Å; T233-L235 PolarHBondContact OG1-N 3.05Å |
| 234 | N | 61.1 | Low | 77.6 | Confident | 123 Ų | 123 | 66 Ų | 66 | 66% | 0.658 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 34.3 | -169.5 | -163.5 | 36.1 | 0 | 0 | 0 | 113 | H229 D230 | H229-N234 PolarHBondContact CE1-OD1 2.94Å; H229-N234 PolarHBondContact NE2-OD1 2.92Å; D230-N234 WeakPolarHBondContact O-CA 3.19Å; D230-N234 PolarHBondContact O-N 2.89Å |
| 235 | L | 54.3 | Low | 77.7 | Confident | 107 Ų | 107 | 66 Ų | 66 | 56% | 0.56 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 145.3 | 175.4 | -63.5 | 173.8 | 0 | 0 | 0 | 110.4 | D230 T233 | D230-L235 PolarHBondContact N-O 2.82Å; T233-L235 PolarHBondContact O-N 2.91Å; T233-L235 WeakPolarHBondContact OG1-CB 3.47Å; T233-L235 PolarHBondContact OG1-N 3.05Å |
| 236 | E | 66.8 | Low | 77.9 | Confident | 121 Ų | 121 | 65.2 Ų | 65.2 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 132.9 | 166.9 | -65.9 | -174.5 | 175.5 | 0 | 0 | 109.9 | ||
| 237 | T | 68.5 | Low | 78.1 | Confident | 74 Ų | 74 | 64.8 Ų | 64.8 | 45% | 0.454 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.2 | 172.4 | 55.1 | 0 | 0 | 0 | 0 | 108.5 | R227 R228 | R227-T237 CarbonylContact C-O 3.6Å; R227-T237 WeakPolarHBondContact CA-O 3.45Å; R228-T237 PolarHBondContact N-O 2.83Å; R228-T237 PolarHBondContact O-N 2.87Å; R228-T237 PolarHBondContact O-OG1 3.47Å; R228-T237 VanDerWaalsContact O-OG1 3.1Å |
| 238 | E | 78.4 | Confident | 78.5 | Confident | 33 Ų | 33 | 60.8 Ų | 60.8 | 15% | 0.154 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 148.1 | 172.7 | -10.8 | -168 | 150.8 | 0 | 0 | 112.3 | T225 Q226 R227 D362 | T225-E238 HydrophobicContact CG2-CB 4.06Å; T225-E238 WeakPolarHBondContact CG2-OE2 3.42Å; Q226-E238 CarbonylContact O-C 3.6Å; Q226-E238 VanDerWaalsContact O-CA 3.26Å; Q226-E238 WeakPolarHBondContact O-CA 3.26Å; R227-E238 HydrophobicContact CG-CB 4.07Å; R227-E238 HydrophobicContact CG-CG 3.97Å; R227-E238 IonicContact CZ-OE1 2.75Å; R227-E238 IonicContact NE-OE1 2.72Å; R227-E238 PolarHBondContact NE-OE1 3.03Å; R227-E238 IonicContact NE-OE2 2.68Å; R227-E238 IonicContact NH2-OE1 3.61Å; R227-E238 PolarHBondContact NH2-OE1 3.04Å; R227-E238 IonicContact NH2-OE2 3.12Å; E238-D362 HydrophobicContact CB-CB 3.65Å; E238-D362 HydrophobicContact CG-CB 3.99Å; E238-D362 WeakPolarHBondContact O-CB 3.41Å; E238-D362 PolarHBondContact O-N 3.34Å |
| 239 | K | 84.5 | Confident | 78.8 | Confident | 69 Ų | 69 | 55.3 Ų | 55.3 | 30% | 0.3 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126.6 | 165.7 | -61.2 | -166.4 | 176.7 | -152.4 | 0 | 108.9 | T225 Q226 V359 N360 E361 | T225-K239 WeakPolarHBondContact CA-O 3.25Å; Q226-K239 HydrophobicContact CB-CB 4.46Å; Q226-K239 PolarHBondContact N-O 2.91Å; Q226-K239 PolarHBondContact O-N 3.5Å; K239-V359 HydrophobicContact CD-CG1 4.32Å; K239-N360 WeakPolarHBondContact CA-O 3.31Å; K239-E361 HydrophobicContact CD-CG 4.14Å; K239-E361 WeakPolarHBondContact CE-OE1 3.33Å; K239-E361 HydrophobicContact CG-CG 3.92Å; K239-E361 IonicContact NZ-OE1 3.47Å; K239-E361 PolarHBondContact NZ-OE1 3.04Å |
| 240 | V | 86.6 | Confident | 79.2 | Confident | 17 Ų | 17 | 53 Ų | 53 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 143.3 | -174.4 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | V223 L224 T225 N360 D362 | V223-V240 HydrophobicContact CG1-CG1 3.74Å; L224-V240 CarbonylContact O-C 3.58Å; L224-V240 WeakPolarHBondContact O-CA 3.32Å; T225-V240 HydrophobicContact CG2-CG2 4.48Å; V240-N360 PolarHBondContact N-O 3.19Å; V240-N360 WeakPolarHBondContact O-CB 3.41Å; V240-N360 PolarHBondContact O-ND2 2.91Å; V240-D362 HydrophobicContact CG2-CB 4.24Å |
| 241 | S | 90.4 | Very high | 80.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 118 | 178.6 | -69.2 | 0 | 0 | 0 | 0 | 111.2 | A82 G85 Y86 L224 | A82-S241 WeakPolarHBondContact O-CB 3.5Å; A82-S241 PolarHBondContact O-OG 3.25Å; G85-S241 WeakPolarHBondContact CA-OG 3.29Å; G85-S241 PolarHBondContact O-OG 3.37Å; Y86-S241 PolarHBondContact N-OG 3Å; Y86-S241 WeakPolarHBondContact O-CB 3.46Å; Y86-S241 PolarHBondContact O-OG 3.06Å; L224-S241 PolarHBondContact N-O 3.49Å; L224-S241 PolarHBondContact O-N 2.91Å |
| 242 | R | 90.7 | Very high | 80.5 | Confident | 86 Ų | 86 | 45.1 Ų | 45.1 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 117.4 | -179.6 | -52.4 | -179.9 | 77.1 | 176 | 0.9 | 108.2 | N87 V88 V223 | N87-R242 WeakPolarHBondContact CA-O 3.34Å; N87-R242 WeakPolarHBondContact OD1-CB 3.41Å; N87-R242 PolarHBondContact OD1-N 2.81Å; V88-R242 PolarHBondContact N-O 2.95Å; V223-R242 HydrophobicContact CG2-CG 4.43Å |
| 243 | I | 94.6 | Very high | 81.2 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 108.6 | -177.1 | -56.8 | 136.9 | 0 | 0 | 0 | 107.8 | A82 V88 F119 T221 L222 L224 L245 | A82-I243 HydrophobicContact CB-CD1 3.83Å; A82-I243 HydrophobicContact CB-CG1 3.73Å; V88-I243 HydrophobicContact CB-CG1 4.27Å; V88-I243 HydrophobicContact CB-CG2 4.43Å; V88-I243 HydrophobicContact CG1-CG2 4.15Å; V88-I243 CarbonylContact O-C 3.57Å; V88-I243 WeakPolarHBondContact O-CA 3.35Å; F119-I243 HydrophobicContact CE1-CD1 4.09Å; F119-I243 HydrophobicContact CE1-CG1 4.34Å; F119-I243 HydrophobicContact CE1-CG2 3.66Å; F119-I243 HydrophobicContact CE2-CG2 4.46Å; F119-I243 HydrophobicContact CZ-CG1 4.37Å; F119-I243 HydrophobicContact CZ-CG2 3.62Å; T221-I243 VanDerWaalsContact CA-O 3.3Å; T221-I243 WeakPolarHBondContact CA-O 3.16Å; L222-I243 HydrophobicContact CB-CB 4.22Å; L222-I243 HydrophobicContact CB-CD1 4.03Å; L222-I243 PolarHBondContact N-O 3.31Å; L222-I243 PolarHBondContact O-N 2.92Å; L224-I243 HydrophobicContact CB-CD1 4.24Å; I243-L245 HydrophobicContact CG2-CD2 3.99Å; I243-L245 HydrophobicContact CG2-CG 4.12Å |
| 244 | C | 94.2 | Very high | 81.9 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 11% | 0.108 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 105.9 | -178.8 | -64.7 | 0 | 0 | 0 | 0 | 111 | V88 C89 I90 | V88-C244 PolarHBondContact O-N 2.79Å; C89-C244 VanDerWaalsContact CA-O 3.24Å; C89-C244 WeakPolarHBondContact CA-O 3.43Å; C89-C244 HydrophobicContact CB-CB 4.22Å; C89-C244 PolarHBondContact SG-O 3.48Å; I90-C244 PolarHBondContact N-O 3.28Å |
| 245 | L | 95.3 | Very high | 82 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 118.9 | 176.6 | -53.5 | -179.1 | 0 | 0 | 0 | 108.8 | I90 M104 I116 F119 F220 I243 | I90-L245 HydrophobicContact CB-CD2 3.88Å; I90-L245 HydrophobicContact CD1-CD2 3.94Å; I90-L245 HydrophobicContact CG1-CD2 3.96Å; I90-L245 WeakPolarHBondContact O-CA 3.4Å; M104-L245 HydrophobicContact CE-CB 3.95Å; I116-L245 HydrophobicContact CB-CD1 4.27Å; I116-L245 HydrophobicContact CD1-CB 4.32Å; I116-L245 HydrophobicContact CG1-CB 3.88Å; I116-L245 HydrophobicContact CG1-CD1 3.76Å; I116-L245 HydrophobicContact CG1-CG 4.45Å; I116-L245 HydrophobicContact CG2-CD1 4.38Å; F119-L245 HydrophobicContact CB-CD1 4.45Å; F119-L245 HydrophobicContact CG-CD1 4.4Å; F220-L245 HydrophobicContact CD1-CB 4.49Å; F220-L245 HydrophobicContact CD1-CD1 4.34Å; F220-L245 PolarHBondContact N-O 3.31Å; F220-L245 PolarHBondContact O-N 3.46Å; I243-L245 HydrophobicContact CG2-CD2 3.99Å; I243-L245 HydrophobicContact CG2-CG 4.12Å |
| 246 | V | 94.4 | Very high | 82.2 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126.4 | -165.9 | -174.2 | 0 | 0 | 0 | 0 | 112.1 | I90 F91 A92 A218 V219 L248 L314 | I90-V246 PolarHBondContact O-N 2.88Å; F91-V246 WeakPolarHBondContact CA-O 3.26Å; F91-V246 HydrophobicContact CB-CB 3.8Å; F91-V246 HydrophobicContact CB-CG1 4.35Å; F91-V246 HydrophobicContact CB-CG2 4.49Å; A92-V246 PolarHBondContact N-O 3.4Å; A218-V246 WeakPolarHBondContact O-CA 3.42Å; V219-V246 HydrophobicContact CG1-CG2 4.24Å; V219-V246 HydrophobicContact CG2-CG1 4.13Å; V219-V246 HydrophobicContact CG2-CG2 4.25Å; V246-L248 HydrophobicContact CG1-CD2 3.52Å; V246-L248 HydrophobicContact CG1-CG 4.03Å; V246-L314 HydrophobicContact CG2-CD2 4.38Å |
| 247 | D | 92.7 | Very high | 81.8 | Confident | 9 Ų | 9 | 36.3 Ų | 36.3 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 100.8 | 169.9 | -175.8 | 39.7 | 0 | 0 | 0 | 107.6 | K100 S101 M104 R202 H217 A218 | K100-D247 VanDerWaalsContact C-OD1 3.32Å; K100-D247 VanDerWaalsContact CB-OD1 3.28Å; K100-D247 WeakPolarHBondContact CB-OD1 3.5Å; S101-D247 WeakPolarHBondContact CA-OD1 3.49Å; S101-D247 WeakPolarHBondContact CB-OD2 3.5Å; S101-D247 PolarHBondContact N-OD1 3.22Å; S101-D247 VanDerWaalsContact N-OD1 3.1Å; S101-D247 PolarHBondContact OG-OD1 3.17Å; S101-D247 PolarHBondContact OG-OD2 2.93Å; M104-D247 HydrophobicContact CB-CB 4.33Å; M104-D247 HydrophobicContact CG-CB 4.23Å; R202-D247 IonicContact NH1-OD2 2.62Å; H217-D247 CarbonylContact C-O 3.56Å; H217-D247 WeakPolarHBondContact CA-O 3.34Å; A218-D247 HydrophobicContact CB-CB 4.37Å; A218-D247 PolarHBondContact N-O 3.36Å; A218-D247 PolarHBondContact O-N 2.83Å |
| 248 | L | 92.5 | Very high | 81.3 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 163.4 | -176.7 | -61.3 | 175.2 | 0 | 0 | 0 | 111.6 | F91 A92 Y93 K100 H217 V246 L274 L277 L310 | F91-L248 HydrophobicContact CD2-CD1 3.87Å; A92-L248 VanDerWaalsContact O-CB 3.26Å; A92-L248 WeakPolarHBondContact O-CB 3.34Å; A92-L248 WeakPolarHBondContact O-CD1 3.45Å; A92-L248 VanDerWaalsContact O-CG 3.29Å; A92-L248 WeakPolarHBondContact O-CG 3.46Å; A92-L248 PolarHBondContact O-N 2.9Å; Y93-L248 HydrophobicContact CD2-CD1 3.93Å; K100-L248 WeakPolarHBondContact CE-O 3.33Å; H217-L248 HydrophobicContact CB-CD2 4.27Å; H217-L248 WeakPolarHBondContact ND1-CA 3.17Å; H217-L248 WeakPolarHBondContact ND1-CD2 3.47Å; V246-L248 HydrophobicContact CG1-CD2 3.52Å; V246-L248 HydrophobicContact CG1-CG 4.03Å; L248-L274 HydrophobicContact CB-CD2 4.44Å; L248-L274 HydrophobicContact CD1-CD2 4.29Å; L248-L277 HydrophobicContact CD1-CD2 3.81Å; L248-L310 HydrophobicContact CD2-CD1 3.87Å; L248-L310 HydrophobicContact CD2-CD2 3.8Å; L248-L310 HydrophobicContact CD2-CG 4.45Å |
| 249 | A | 88 | Confident | 80.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 169.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K100 S214 H217 I270 | K100-A249 WeakPolarHBondContact CE-O 3.47Å; K100-A249 PolarHBondContact NZ-O 3.09Å; S214-A249 CarbonylContact O-C 3.57Å; S214-A249 WeakPolarHBondContact O-CA 3.31Å; H217-A249 PolarHBondContact ND1-N 3.46Å; A249-I270 HydrophobicContact CB-CG2 3.62Å |
| 250 | G | 84.3 | Confident | 78.9 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -55.3 | 131.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T96 S214 E252 L274 | T96-G250 WeakPolarHBondContact OG1-CA 3.36Å; S214-G250 PolarHBondContact O-N 3.49Å; G250-E252 WeakPolarHBondContact CA-OE2 3.45Å; G250-E252 PolarHBondContact O-N 3.19Å; G250-L274 WeakPolarHBondContact O-CD1 3.5Å |
| 251 | S | 86.9 | Confident | 77.8 | Confident | 9 Ų | 9 | 41.5 Ų | 41.5 | 6% | 0.063 | 24% | 0.241 | C | C | . | . | trans | -76.7 | -6.9 | 176 | 66.8 | 0 | 0 | 0 | 0 | 114.7 | Y93 G94 Q95 | Y93-S251 WeakPolarHBondContact OH-CB 3.44Å; G94-S251 PolarHBondContact O-N 3.35Å; G94-S251 VanDerWaalsContact O-N 3.11Å; G94-S251 PolarHBondContact O-OG 3.43Å; Q95-S251 WeakPolarHBondContact CA-OG 3.35Å; Q95-S251 PolarHBondContact N-OG 3.5Å | ||
| 252 | E | 78.8 | Confident | 76.4 | Confident | 17 Ų | 17 | 48.5 Ų | 48.5 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -64 | 145.8 | -175.6 | 61 | -86.8 | -167.2 | 0 | 0 | 113.8 | Q95 T96 M209 G250 T257 N271 E339 | Q95-E252 VanDerWaalsContact CA-OE2 3.31Å; Q95-E252 WeakPolarHBondContact CA-OE2 3.49Å; T96-E252 WeakPolarHBondContact CB-OE1 3.47Å; T96-E252 PolarHBondContact N-OE2 2.89Å; T96-E252 PolarHBondContact OG1-OE1 2.72Å; T96-E252 PolarHBondContact OG1-OE2 3.1Å; M209-E252 HydrophobicContact CE-CB 4.13Å; M209-E252 HydrophobicContact CE-CG 3.58Å; G250-E252 WeakPolarHBondContact CA-OE2 3.45Å; G250-E252 PolarHBondContact O-N 3.19Å; E252-T257 HydrophobicContact CG-CG2 4.01Å; E252-N271 PolarHBondContact O-ND2 2.96Å; E252-N271 PolarHBondContact O-OD1 2.84Å; E252-E339 WeakPolarHBondContact CA-OE1 2.95Å |
| 253 | R | 71.7 | Confident | 75.2 | Confident | 155 Ų | 155 | 49.9 Ų | 49.9 | 59% | 0.585 | 28% | 0.282 | S | S | * | . | trans | -67 | 139.1 | 175.5 | -58.8 | -177.1 | -173.1 | -164.9 | 1.9 | 110.8 | D255 S256 E339 | R253-D255 PolarHBondContact O-N 3.25Å; R253-S256 WeakPolarHBondContact O-CB 3.21Å; R253-S256 PolarHBondContact O-N 2.91Å; R253-E339 PolarHBondContact N-OE1 2.8Å | ||
| 254 | A | 65.5 | Low | 73.9 | Confident | 14 Ų | 14 | 54 Ų | 54 | 12% | 0.116 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -54 | -39.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | S256 T257 N271 | A254-S256 VanDerWaalsContact C-N 3.26Å; A254-S256 PolarHBondContact O-N 2.83Å; A254-T257 WeakPolarHBondContact O-CB 3.25Å; A254-T257 PolarHBondContact O-N 3.34Å; A254-T257 PolarHBondContact O-OG1 2.82Å; A254-N271 PolarHBondContact N-ND2 2.8Å |
| 255 | D | 63.3 | Low | 72.6 | Confident | 137 Ų | 137 | 60.5 Ų | 60.5 | 73% | 0.733 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -56.1 | -39.3 | 179.1 | -42.1 | -36.9 | 0 | 0 | 0 | 112.2 | R253 T257 G258 | R253-D255 PolarHBondContact O-N 3.25Å; D255-T257 PolarHBondContact O-N 2.99Å; D255-G258 PolarHBondContact O-N 3.21Å |
| 256 | S | 58 | Low | 71.3 | Confident | 82 Ų | 82 | 61.1 Ų | 61.1 | 57% | 0.573 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -69.9 | -9.7 | 178.7 | -52.7 | 0 | 0 | 0 | 0 | 113.8 | R253 A254 | R253-S256 WeakPolarHBondContact O-CB 3.21Å; R253-S256 PolarHBondContact O-N 2.91Å; A254-S256 VanDerWaalsContact C-N 3.26Å; A254-S256 PolarHBondContact O-N 2.83Å |
| 257 | T | 59.1 | Low | 70 | Confident | 40 Ų | 40 | 61.4 Ų | 61.4 | 25% | 0.245 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -96.3 | -6.7 | -177.8 | 71.9 | 0 | 0 | 0 | 0 | 114.1 | M209 E252 A254 D255 A259 | M209-T257 HydrophobicContact CE-CG2 4.43Å; E252-T257 HydrophobicContact CG-CG2 4.01Å; A254-T257 WeakPolarHBondContact O-CB 3.25Å; A254-T257 PolarHBondContact O-N 3.34Å; A254-T257 PolarHBondContact O-OG1 2.82Å; D255-T257 PolarHBondContact O-N 2.99Å; T257-A259 PolarHBondContact O-N 2.8Å; T257-A259 VanDerWaalsContact OG1-CB 3.23Å; T257-A259 WeakPolarHBondContact OG1-CB 3.42Å |
| 258 | G | 58.2 | Low | 69 | Low | 69 Ų | 69 | 63.5 Ų | 63.5 | 71% | 0.711 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 22.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D255 | D255-G258 PolarHBondContact O-N 3.21Š|
| 259 | A | 55.3 | Low | 68.2 | Low | 10 Ų | 10 | 66.4 Ų | 66.4 | 8% | 0.083 | 37% | 0.37 | C | S | . | . | trans | -87.5 | 110.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T257 R263 L264 | T257-A259 PolarHBondContact O-N 2.8Å; T257-A259 VanDerWaalsContact OG1-CB 3.23Å; T257-A259 WeakPolarHBondContact OG1-CB 3.42Å; A259-R263 HydrophobicContact CB-CB 3.78Å; A259-L264 VanDerWaalsContact O-CB 3.31Å; A259-L264 WeakPolarHBondContact O-CB 3.41Å; A259-L264 WeakPolarHBondContact O-CD1 3.22Å | ||
| 260 | E | 56.3 | Low | 67.4 | Low | 170 Ų | 170 | 66.9 Ų | 66.9 | 79% | 0.794 | 37% | 0.372 | S | S | * | . | trans | -93 | 167.1 | 175.8 | -62.2 | -163.5 | 159.1 | 0 | 0 | 114.3 | I262 R263 L264 | E260-I262 PolarHBondContact O-N 3.41Å; E260-R263 PolarHBondContact O-N 3.49Å; E260-L264 PolarHBondContact O-N 3.23Å | ||
| 261 | G | 64.7 | Low | 67.1 | Low | 54 Ų | 54 | 68.3 Ų | 68.3 | 56% | 0.557 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | 58.7 | -116.3 | 167 | 0 | 0 | 0 | 0 | 0 | 114.9 | L264 K265 | G261-L264 WeakPolarHBondContact O-CB 3.32Å; G261-L264 PolarHBondContact O-N 3.02Å; G261-K265 PolarHBondContact O-N 3.34Å |
| 262 | I | 60.5 | Low | 67 | Low | 147 Ų | 147 | 72 Ų | 72 | 75% | 0.754 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -69.4 | -39.9 | 179 | -62.2 | 174.1 | 0 | 0 | 0 | 110.6 | E260 L264 K265 E266 | E260-I262 PolarHBondContact O-N 3.41Å; I262-L264 PolarHBondContact O-N 3.27Å; I262-K265 PolarHBondContact O-N 2.91Å; I262-K265 VanDerWaalsContact O-N 3.08Å; I262-E266 WeakPolarHBondContact O-CB 2.99Å; I262-E266 PolarHBondContact O-N 2.72Å |
| 263 | R | 64.1 | Low | 67.4 | Low | 115 Ų | 115 | 71.3 Ų | 71.3 | 43% | 0.434 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.7 | -27.5 | 177.9 | -70.2 | 174.7 | 156.5 | 160.3 | -7.8 | 111.9 | A206 A259 E260 E266 G267 | A206-R263 PolarHBondContact O-NH2 3.41Å; A259-R263 HydrophobicContact CB-CB 3.78Å; E260-R263 PolarHBondContact O-N 3.49Å; R263-E266 WeakPolarHBondContact CA-OE2 3.48Å; R263-G267 PolarHBondContact O-N 2.76Å |
| 264 | L | 67.8 | Low | 68.1 | Low | 86 Ų | 86 | 64.2 Ų | 64.2 | 45% | 0.45 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 170.2 | -167.7 | 83.4 | 0 | 0 | 0 | 111.8 | A259 E260 G261 I262 E266 G267 A268 | A259-L264 VanDerWaalsContact O-CB 3.31Å; A259-L264 WeakPolarHBondContact O-CB 3.41Å; A259-L264 WeakPolarHBondContact O-CD1 3.22Å; E260-L264 PolarHBondContact O-N 3.23Å; G261-L264 WeakPolarHBondContact O-CB 3.32Å; G261-L264 PolarHBondContact O-N 3.02Å; I262-L264 PolarHBondContact O-N 3.27Å; L264-E266 VanDerWaalsContact C-N 3.33Å; L264-E266 PolarHBondContact O-N 2.93Å; L264-G267 PolarHBondContact O-N 3.03Å; L264-A268 VanDerWaalsContact O-CB 3.29Å; L264-A268 WeakPolarHBondContact O-CB 3.12Å; L264-A268 PolarHBondContact O-N 3.11Å |
| 265 | K | 67.5 | Low | 69.1 | Low | 152 Ų | 152 | 67 Ų | 67 | 66% | 0.661 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.4 | -37 | 179.7 | -68.3 | -179.5 | 179.3 | 177 | 0 | 112.1 | G261 I262 N269 | G261-K265 PolarHBondContact O-N 3.34Å; I262-K265 PolarHBondContact O-N 2.91Å; I262-K265 VanDerWaalsContact O-N 3.08Å; K265-N269 PolarHBondContact O-N 3.41Å; K265-N269 VanDerWaalsContact O-N 3.1Å; K265-N269 PolarHBondContact O-ND2 3.42Å; K265-N269 VanDerWaalsContact O-ND2 3.17Å |
| 266 | E | 67.2 | Low | 70.4 | Confident | 15 Ų | 15 | 60.8 Ų | 60.8 | 7% | 0.07 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.1 | -57.9 | 170.2 | 177.7 | -167.1 | 167.2 | 0 | 0 | 110.8 | Y149 R215 I262 R263 L264 A268 N269 I270 | Y149-E266 HydrophobicContact CE2-CG 3.91Å; Y149-E266 VanDerWaalsContact OH-CD 3.22Å; Y149-E266 WeakPolarHBondContact OH-CG 3.47Å; Y149-E266 PolarHBondContact OH-OE1 3.03Å; R215-E266 WeakPolarHBondContact CD-OE1 3.34Å; R215-E266 IonicContact CZ-OE1 3.27Å; R215-E266 IonicContact NE-OE1 2.93Å; R215-E266 IonicContact NH1-OE1 2.69Å; R215-E266 PolarHBondContact NH1-OE1 2.82Å; R215-E266 IonicContact NH1-OE2 2.7Å; R215-E266 PolarHBondContact NH1-OE2 3.23Å; I262-E266 WeakPolarHBondContact O-CB 2.99Å; I262-E266 PolarHBondContact O-N 2.72Å; R263-E266 WeakPolarHBondContact CA-OE2 3.48Å; L264-E266 VanDerWaalsContact C-N 3.33Å; L264-E266 PolarHBondContact O-N 2.93Å; E266-A268 VanDerWaalsContact C-N 3.25Å; E266-A268 PolarHBondContact O-N 3.08Å; E266-N269 PolarHBondContact O-N 2.92Å; E266-N269 VanDerWaalsContact O-N 3.07Å; E266-I270 HydrophobicContact CG-CD1 3.97Å; E266-I270 WeakPolarHBondContact O-CG1 3.45Å; E266-I270 PolarHBondContact O-N 3.17Å |
| 267 | G | 67.6 | Low | 72 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 6% | 0.062 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.3 | -35.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R263 L264 N271 | R263-G267 PolarHBondContact O-N 2.76Å; L264-G267 PolarHBondContact O-N 3.03Å; G267-N271 VanDerWaalsContact O-CB 3.28Å; G267-N271 WeakPolarHBondContact O-CB 3.39Å; G267-N271 PolarHBondContact O-N 2.86Å; G267-N271 PolarHBondContact O-ND2 2.87Å; G267-N271 VanDerWaalsContact O-ND2 3.08Å |
| 268 | A | 71.6 | Confident | 73.4 | Confident | 53 Ų | 53 | 55.4 Ų | 55.4 | 44% | 0.438 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.4 | -39 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L264 E266 K272 | L264-A268 VanDerWaalsContact O-CB 3.29Å; L264-A268 WeakPolarHBondContact O-CB 3.12Å; L264-A268 PolarHBondContact O-N 3.11Å; E266-A268 VanDerWaalsContact C-N 3.25Å; E266-A268 PolarHBondContact O-N 3.08Å; A268-K272 WeakPolarHBondContact O-CB 3.3Å; A268-K272 PolarHBondContact O-N 3.39Å |
| 269 | N | 75 | Confident | 74.9 | Confident | 60 Ų | 60 | 57.2 Ų | 57.2 | 32% | 0.321 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -73.2 | -34.9 | 175.6 | -73.7 | -42.4 | 0 | 0 | 0 | 112.5 | C150 K265 E266 K272 S273 | C150-N269 HydrophobicContact CB-CB 4.21Å; K265-N269 PolarHBondContact O-N 3.41Å; K265-N269 VanDerWaalsContact O-N 3.1Å; K265-N269 PolarHBondContact O-ND2 3.42Å; K265-N269 VanDerWaalsContact O-ND2 3.17Å; E266-N269 PolarHBondContact O-N 2.92Å; E266-N269 VanDerWaalsContact O-N 3.07Å; N269-K272 WeakPolarHBondContact O-CB 3.34Å; N269-K272 PolarHBondContact O-N 3.45Å; N269-S273 PolarHBondContact O-N 3.12Å |
| 270 | I | 72.3 | Confident | 76.6 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 6% | 0.056 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.3 | -52.3 | 171.9 | -63.7 | 161.3 | 0 | 0 | 0 | 109.1 | R215 A249 E266 K272 S273 L274 | R215-I270 HydrophobicContact CB-CD1 3.6Å; R215-I270 HydrophobicContact CG-CD1 3.85Å; R215-I270 VanDerWaalsContact O-CD1 3.28Å; R215-I270 WeakPolarHBondContact O-CD1 3.29Å; R215-I270 WeakPolarHBondContact O-CG1 3.39Å; A249-I270 HydrophobicContact CB-CG2 3.62Å; E266-I270 HydrophobicContact CG-CD1 3.97Å; E266-I270 WeakPolarHBondContact O-CG1 3.45Å; E266-I270 PolarHBondContact O-N 3.17Å; I270-K272 VanDerWaalsContact C-N 3.28Å; I270-K272 PolarHBondContact O-N 3.34Å; I270-S273 PolarHBondContact O-N 3.39Å; I270-S273 VanDerWaalsContact O-N 3.16Å; I270-S273 PolarHBondContact O-OG 2.77Å; I270-L274 PolarHBondContact O-N 3.48Å |
| 271 | N | 78.2 | Confident | 78.2 | Confident | 33 Ų | 33 | 48.7 Ų | 48.7 | 18% | 0.176 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.1 | -33.1 | 175.6 | -89.6 | -87.7 | 0 | 0 | 0 | 112.8 | E252 A254 G267 L274 T275 | E252-N271 PolarHBondContact O-ND2 2.96Å; E252-N271 PolarHBondContact O-OD1 2.84Å; A254-N271 PolarHBondContact N-ND2 2.8Å; G267-N271 VanDerWaalsContact O-CB 3.28Å; G267-N271 WeakPolarHBondContact O-CB 3.39Å; G267-N271 PolarHBondContact O-N 2.86Å; G267-N271 PolarHBondContact O-ND2 2.87Å; G267-N271 VanDerWaalsContact O-ND2 3.08Å; N271-L274 PolarHBondContact O-N 2.86Å; N271-T275 WeakPolarHBondContact O-CB 3.27Å; N271-T275 PolarHBondContact O-N 3.24Å; N271-T275 PolarHBondContact O-OG1 3.18Å |
| 272 | K | 84 | Confident | 79.2 | Confident | 86 Ų | 86 | 47.3 Ų | 47.3 | 37% | 0.374 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56 | -52.6 | 172.4 | -176.1 | -156.2 | 175.7 | -147.9 | 0 | 110.7 | E151 A268 N269 I270 L274 T275 T276 D307 | E151-K272 HydrophobicContact CG-CD 4.09Å; E151-K272 IonicContact OE2-NZ 3.37Å; E151-K272 PolarHBondContact OE2-NZ 3.46Å; A268-K272 WeakPolarHBondContact O-CB 3.3Å; A268-K272 PolarHBondContact O-N 3.39Å; N269-K272 WeakPolarHBondContact O-CB 3.34Å; N269-K272 PolarHBondContact O-N 3.45Å; I270-K272 VanDerWaalsContact C-N 3.28Å; I270-K272 PolarHBondContact O-N 3.34Å; K272-L274 PolarHBondContact O-N 3.3Å; K272-T275 PolarHBondContact O-N 3.35Å; K272-T276 WeakPolarHBondContact O-CB 3.42Å; K272-T276 PolarHBondContact O-N 3.18Å; K272-T276 PolarHBondContact O-OG1 2.89Å; K272-T276 VanDerWaalsContact O-OG1 3.11Å; K272-D307 WeakPolarHBondContact CE-O 3.37Å; K272-D307 PolarHBondContact NZ-O 2.95Å |
| 273 | S | 87.3 | Confident | 80.5 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.5 | -42.2 | -178.2 | 65.6 | 0 | 0 | 0 | 0 | 113.1 | H217 N269 I270 L277 | H217-S273 PolarHBondContact CE1-OG 2.89Å; H217-S273 PolarHBondContact NE2-OG 2.93Å; N269-S273 PolarHBondContact O-N 3.12Å; I270-S273 PolarHBondContact O-N 3.39Å; I270-S273 VanDerWaalsContact O-N 3.16Å; I270-S273 PolarHBondContact O-OG 2.77Å; S273-L277 WeakPolarHBondContact O-CB 3.34Å; S273-L277 PolarHBondContact O-N 3.32Å |
| 274 | L | 87.1 | Confident | 81.6 | Confident | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -76.3 | -30.7 | 178.2 | -65 | -178.5 | 0 | 0 | 0 | 113.6 | Y93 L248 G250 I270 N271 K272 L277 G278 L310 Y346 | Y93-L274 HydrophobicContact CD2-CD2 4.43Å; Y93-L274 HydrophobicContact CE2-CD2 4.2Å; L248-L274 HydrophobicContact CB-CD2 4.44Å; L248-L274 HydrophobicContact CD1-CD2 4.29Å; G250-L274 WeakPolarHBondContact O-CD1 3.5Å; I270-L274 PolarHBondContact O-N 3.48Å; N271-L274 PolarHBondContact O-N 2.86Å; K272-L274 PolarHBondContact O-N 3.3Å; L274-L277 HydrophobicContact CD2-CD2 4.14Å; L274-L277 PolarHBondContact O-N 2.89Å; L274-G278 PolarHBondContact O-N 2.94Å; L274-L310 HydrophobicContact CD2-CD2 4.32Å; L274-Y346 PolarHBondContact O-OH 3.22Å |
| 275 | T | 86.6 | Confident | 82.5 | Confident | 73 Ų | 73 | 32.4 Ų | 32.4 | 45% | 0.448 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.7 | -44.6 | 171.5 | -63.4 | 0 | 0 | 0 | 0 | 110.5 | N271 K272 G278 K279 | N271-T275 WeakPolarHBondContact O-CB 3.27Å; N271-T275 PolarHBondContact O-N 3.24Å; N271-T275 PolarHBondContact O-OG1 3.18Å; K272-T275 PolarHBondContact O-N 3.35Å; T275-G278 CarbonylContact O-C 3.55Å; T275-G278 WeakPolarHBondContact O-CA 3.46Å; T275-G278 PolarHBondContact O-N 3.17Å; T275-G278 VanDerWaalsContact O-N 3.15Å; T275-K279 WeakPolarHBondContact O-CG 3.48Å; T275-K279 PolarHBondContact O-N 2.75Å |
| 276 | T | 89.9 | Confident | 83.2 | Confident | 6 Ų | 6 | 31.5 Ų | 31.5 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.3 | -41.4 | 174.6 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | K272 G278 K279 V280 P304 D307 T311 | K272-T276 WeakPolarHBondContact O-CB 3.42Å; K272-T276 PolarHBondContact O-N 3.18Å; K272-T276 PolarHBondContact O-OG1 2.89Å; K272-T276 VanDerWaalsContact O-OG1 3.11Å; T276-G278 VanDerWaalsContact C-N 3.26Å; T276-G278 PolarHBondContact O-N 3.21Å; T276-K279 PolarHBondContact O-N 2.96Å; T276-K279 VanDerWaalsContact O-N 3.16Å; T276-V280 HydrophobicContact CG2-CG2 4.42Å; T276-V280 WeakPolarHBondContact O-CG2 3.26Å; T276-V280 PolarHBondContact O-N 3.32Å; T276-P304 WeakPolarHBondContact CG2-O 3.28Å; T276-D307 HydrophobicContact CG2-CB 3.5Å; T276-T311 HydrophobicContact CG2-CG2 3.85Å; T276-T311 VanDerWaalsContact CG2-OG1 3.26Å; T276-T311 WeakPolarHBondContact CG2-OG1 3.31Å |
| 277 | L | 91.3 | Very high | 83.7 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.5 | -42.2 | 171.3 | -172.6 | 69 | 0 | 0 | 0 | 111.1 | L248 S273 L274 V280 I281 L310 T311 L318 Y346 | L248-L277 HydrophobicContact CD1-CD2 3.81Å; S273-L277 WeakPolarHBondContact O-CB 3.34Å; S273-L277 PolarHBondContact O-N 3.32Å; L274-L277 HydrophobicContact CD2-CD2 4.14Å; L274-L277 PolarHBondContact O-N 2.89Å; L277-V280 PolarHBondContact O-N 3.38Å; L277-I281 HydrophobicContact CD1-CD1 4.39Å; L277-I281 HydrophobicContact CG-CD1 3.99Å; L277-I281 WeakPolarHBondContact O-CB 3.26Å; L277-I281 VanDerWaalsContact O-CG1 3.28Å; L277-I281 WeakPolarHBondContact O-CG1 3.33Å; L277-I281 PolarHBondContact O-N 2.81Å; L277-L310 HydrophobicContact CD2-CD2 4.26Å; L277-T311 VanDerWaalsContact CA-CG2 3.45Å; L277-T311 HydrophobicContact CB-CG2 3.91Å; L277-T311 HydrophobicContact CD1-CG2 3.95Å; L277-L318 HydrophobicContact CD1-CD1 3.43Å; L277-L318 VanDerWaalsContact CD1-CD1 3.43Å; L277-Y346 VanDerWaalsContact C-OH 3.31Å; L277-Y346 WeakPolarHBondContact CB-OH 3.43Å; L277-Y346 WeakPolarHBondContact CD2-OH 3.41Å; L277-Y346 WeakPolarHBondContact CG-OH 3.41Å |
| 278 | G | 88.7 | Confident | 83.9 | Confident | 9 Ų | 9 | 36.1 Ų | 36.1 | 9% | 0.093 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.4 | -37.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | L274 T275 T276 S282 Y346 | L274-G278 PolarHBondContact O-N 2.94Å; T275-G278 CarbonylContact O-C 3.55Å; T275-G278 WeakPolarHBondContact O-CA 3.46Å; T275-G278 PolarHBondContact O-N 3.17Å; T275-G278 VanDerWaalsContact O-N 3.15Å; T276-G278 VanDerWaalsContact C-N 3.26Å; T276-G278 PolarHBondContact O-N 3.21Å; G278-S282 WeakPolarHBondContact O-CB 3.47Å; G278-S282 PolarHBondContact O-N 3.08Å; G278-S282 PolarHBondContact O-OG 3.16Å; G278-Y346 WeakPolarHBondContact CA-OH 3.48Å; G278-Y346 PolarHBondContact N-OH 2.71Å |
| 279 | K | 89.8 | Confident | 83.7 | Confident | 107 Ų | 107 | 36.1 Ų | 36.1 | 47% | 0.465 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.8 | -47.9 | 173.1 | -70.8 | 176.5 | 179.2 | -179.1 | 0 | 111.7 | T275 T276 I281 S282 A283 P304 | T275-K279 WeakPolarHBondContact O-CG 3.48Å; T275-K279 PolarHBondContact O-N 2.75Å; T276-K279 PolarHBondContact O-N 2.96Å; T276-K279 VanDerWaalsContact O-N 3.16Å; K279-I281 VanDerWaalsContact C-N 3.34Å; K279-I281 PolarHBondContact O-N 2.81Å; K279-S282 PolarHBondContact O-N 3.16Å; K279-A283 WeakPolarHBondContact O-CB 3.48Å; K279-A283 PolarHBondContact O-N 2.91Å; K279-P304 HydrophobicContact CB-CG 4.07Å |
| 280 | V | 90.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 177.7 | 168.8 | 0 | 0 | 0 | 0 | 110.6 | T276 L277 L284 I303 P304 Y305 T311 L318 | T276-V280 HydrophobicContact CG2-CG2 4.42Å; T276-V280 WeakPolarHBondContact O-CG2 3.26Å; T276-V280 PolarHBondContact O-N 3.32Å; L277-V280 PolarHBondContact O-N 3.38Å; V280-L284 HydrophobicContact CG1-CD1 3.8Å; V280-L284 WeakPolarHBondContact O-CB 3.35Å; V280-L284 WeakPolarHBondContact O-CD1 3.37Å; V280-L284 VanDerWaalsContact O-CG 3.31Å; V280-L284 WeakPolarHBondContact O-CG 3.26Å; V280-L284 PolarHBondContact O-N 2.85Å; V280-I303 HydrophobicContact CB-CG2 4.32Å; V280-I303 HydrophobicContact CG1-CG2 3.95Å; V280-I303 HydrophobicContact CG2-CG2 4.1Å; V280-P304 HydrophobicContact CG2-CG 4.12Å; V280-Y305 HydrophobicContact CG1-CD1 3.91Å; V280-Y305 HydrophobicContact CG1-CE1 3.66Å; V280-Y305 HydrophobicContact CG2-CD1 4.36Å; V280-T311 HydrophobicContact CG2-CG2 4.11Å; V280-L318 HydrophobicContact CG1-CB 4.43Å; V280-L318 HydrophobicContact CG1-CD1 4.39Å |
| 281 | I | 89.3 | Confident | 81.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 176.4 | -77.3 | 170.1 | 0 | 0 | 0 | 111.7 | L277 K279 L284 A285 Y346 R349 A350 I353 | L277-I281 HydrophobicContact CD1-CD1 4.39Å; L277-I281 HydrophobicContact CG-CD1 3.99Å; L277-I281 WeakPolarHBondContact O-CB 3.26Å; L277-I281 VanDerWaalsContact O-CG1 3.28Å; L277-I281 WeakPolarHBondContact O-CG1 3.33Å; L277-I281 PolarHBondContact O-N 2.81Å; K279-I281 VanDerWaalsContact C-N 3.34Å; K279-I281 PolarHBondContact O-N 2.81Å; I281-L284 PolarHBondContact O-N 3.06Å; I281-A285 VanDerWaalsContact O-CB 3.31Å; I281-A285 WeakPolarHBondContact O-CB 3.44Å; I281-A285 PolarHBondContact O-N 3.41Å; I281-Y346 HydrophobicContact CD1-CD1 4.21Å; I281-Y346 HydrophobicContact CD1-CE1 3.36Å; I281-R349 HydrophobicContact CG2-CB 4.03Å; I281-A350 HydrophobicContact CG2-CB 4.29Å; I281-I353 HydrophobicContact CB-CD1 4Å; I281-I353 HydrophobicContact CG1-CD1 3.7Å; I281-I353 HydrophobicContact CG2-CD1 4.04Å |
| 282 | S | 87.3 | Confident | 79.9 | Confident | 25 Ų | 25 | 49.5 Ų | 49.5 | 18% | 0.175 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.5 | -43 | -177.5 | -50.2 | 0 | 0 | 0 | 0 | 111.7 | G278 K279 L284 A285 E286 R349 | G278-S282 WeakPolarHBondContact O-CB 3.47Å; G278-S282 PolarHBondContact O-N 3.08Å; G278-S282 PolarHBondContact O-OG 3.16Å; K279-S282 PolarHBondContact O-N 3.16Å; S282-L284 PolarHBondContact O-N 2.8Å; S282-A285 WeakPolarHBondContact O-CB 3.36Å; S282-A285 PolarHBondContact O-N 2.97Å; S282-E286 WeakPolarHBondContact O-CB 3.35Å; S282-E286 VanDerWaalsContact O-CG 3.32Å; S282-E286 WeakPolarHBondContact O-CG 3.32Å; S282-E286 PolarHBondContact O-N 3.13Å; S282-R349 PolarHBondContact OG-NE 2.93Å; S282-R349 VanDerWaalsContact OG-NE 3.12Å |
| 283 | A | 87.9 | Confident | 77.8 | Confident | 22 Ų | 22 | 50.8 Ų | 50.8 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K279 E286 M287 | K279-A283 WeakPolarHBondContact O-CB 3.48Å; K279-A283 PolarHBondContact O-N 2.91Å; A283-E286 PolarHBondContact O-N 3.03Å; A283-M287 WeakPolarHBondContact O-CB 3.16Å; A283-M287 VanDerWaalsContact O-CG 3.27Å; A283-M287 WeakPolarHBondContact O-CG 3.48Å; A283-M287 PolarHBondContact O-N 3.16Å |
| 284 | L | 87.1 | Confident | 75.7 | Confident | 11 Ų | 11 | 56 Ų | 56 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67 | -35.8 | 175.7 | -76.9 | 167 | 0 | 0 | 0 | 112.7 | V280 I281 S282 S288 I303 L318 I353 | V280-L284 HydrophobicContact CG1-CD1 3.8Å; V280-L284 WeakPolarHBondContact O-CB 3.35Å; V280-L284 WeakPolarHBondContact O-CD1 3.37Å; V280-L284 VanDerWaalsContact O-CG 3.31Å; V280-L284 WeakPolarHBondContact O-CG 3.26Å; V280-L284 PolarHBondContact O-N 2.85Å; I281-L284 PolarHBondContact O-N 3.06Å; S282-L284 PolarHBondContact O-N 2.8Å; L284-S288 VanDerWaalsContact O-CB 3.31Å; L284-S288 WeakPolarHBondContact O-CB 3.4Å; L284-S288 PolarHBondContact O-N 3.17Å; L284-S288 VanDerWaalsContact O-N 3.15Å; L284-S288 PolarHBondContact O-OG 3.37Å; L284-I303 HydrophobicContact CD2-CD1 3.7Å; L284-I303 HydrophobicContact CG-CD1 4.26Å; L284-L318 HydrophobicContact CD1-CB 4.12Å; L284-L318 WeakPolarHBondContact CD1-O 3.46Å; L284-I353 HydrophobicContact CB-CB 4.39Å; L284-I353 HydrophobicContact CB-CD1 4.12Å; L284-I353 HydrophobicContact CB-CG1 3.77Å; L284-I353 HydrophobicContact CB-CG2 4.03Å; L284-I353 HydrophobicContact CD1-CD1 4.25Å; L284-I353 HydrophobicContact CD1-CG2 4.03Å; L284-I353 HydrophobicContact CG-CG2 4.49Å |
| 285 | A | 85 | Confident | 73.3 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 3% | 0.025 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.5 | -44.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I281 S282 S288 S289 Q352 | I281-A285 VanDerWaalsContact O-CB 3.31Å; I281-A285 WeakPolarHBondContact O-CB 3.44Å; I281-A285 PolarHBondContact O-N 3.41Å; S282-A285 WeakPolarHBondContact O-CB 3.36Å; S282-A285 PolarHBondContact O-N 2.97Å; A285-S288 PolarHBondContact O-N 3.26Å; A285-S289 WeakPolarHBondContact O-CB 3.41Å; A285-S289 PolarHBondContact O-N 2.92Å; A285-S289 PolarHBondContact O-OG 3.26Å; A285-Q352 HydrophobicContact CB-CB 3.79Å |
| 286 | E | 83.1 | Confident | 71.1 | Confident | 132 Ų | 132 | 71 Ų | 71 | 62% | 0.617 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.8 | -47.3 | 176.6 | -73.9 | 163.2 | -158.3 | 0 | 0 | 111.4 | S282 A283 S288 S289 | S282-E286 WeakPolarHBondContact O-CB 3.35Å; S282-E286 VanDerWaalsContact O-CG 3.32Å; S282-E286 WeakPolarHBondContact O-CG 3.32Å; S282-E286 PolarHBondContact O-N 3.13Å; A283-E286 PolarHBondContact O-N 3.03Å; E286-S288 VanDerWaalsContact C-N 3.27Å; E286-S288 PolarHBondContact O-N 3.35Å; E286-S289 PolarHBondContact O-N 3.3Å |
| 287 | M | 77.2 | Confident | 68.7 | Low | 71 Ų | 71 | 77.4 Ų | 77.4 | 35% | 0.35 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58 | -36.5 | 173.4 | -74.1 | 179.3 | -170.7 | 0 | 0 | 113.5 | A283 E301 I303 | A283-M287 WeakPolarHBondContact O-CB 3.16Å; A283-M287 VanDerWaalsContact O-CG 3.27Å; A283-M287 WeakPolarHBondContact O-CG 3.48Å; A283-M287 PolarHBondContact O-N 3.16Å; M287-E301 HydrophobicContact CE-CB 3.73Å; M287-E301 HydrophobicContact CE-CG 3.58Å; M287-E301 WeakPolarHBondContact CG-OE2 3.46Å; M287-I303 HydrophobicContact CE-CD1 3.85Å; M287-I303 HydrophobicContact CE-CG1 3.48Å; M287-I303 VanDerWaalsContact CE-CG1 3.48Å; M287-I303 HydrophobicContact SD-CD1 3.84Å; M287-I303 HydrophobicContact SD-CG1 4.14Å |
| 288 | S | 73.2 | Confident | 66 | Low | 47 Ų | 47 | 89.8 Ų | 89.8 | 33% | 0.329 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -82.2 | -26.8 | -175.4 | -58.7 | 0 | 0 | 0 | 0 | 112.7 | L284 A285 E286 G290 Q352 | L284-S288 VanDerWaalsContact O-CB 3.31Å; L284-S288 WeakPolarHBondContact O-CB 3.4Å; L284-S288 PolarHBondContact O-N 3.17Å; L284-S288 VanDerWaalsContact O-N 3.15Å; L284-S288 PolarHBondContact O-OG 3.37Å; A285-S288 PolarHBondContact O-N 3.26Å; E286-S288 VanDerWaalsContact C-N 3.27Å; E286-S288 PolarHBondContact O-N 3.35Å; S288-G290 PolarHBondContact O-N 2.7Å; S288-G290 VanDerWaalsContact O-N 3.16Å; S288-Q352 WeakPolarHBondContact CB-O 3.46Å; S288-Q352 PolarHBondContact OG-O 3.41Å |
| 289 | S | 65.8 | Low | 63.8 | Low | 54 Ų | 54 | 96.5 Ų | 96.5 | 38% | 0.378 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -73.9 | -1.2 | -172.3 | -67.4 | 0 | 0 | 0 | 0 | 115.6 | A285 E286 N291 Q352 | A285-S289 WeakPolarHBondContact O-CB 3.41Å; A285-S289 PolarHBondContact O-N 2.92Å; A285-S289 PolarHBondContact O-OG 3.26Å; E286-S289 PolarHBondContact O-N 3.3Å; S289-N291 PolarHBondContact O-N 2.97Å; S289-Q352 PolarHBondContact OG-OE1 3.18Å |
| 290 | G | 56.8 | Low | 61.7 | Low | 62 Ų | 62 | 97 Ų | 97 | 64% | 0.639 | 51% | 0.507 | S | S | * | . | trans | 69.7 | -13.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | S288 Q292 | S288-G290 PolarHBondContact O-N 2.7Å; S288-G290 VanDerWaalsContact O-N 3.16Å; G290-Q292 PolarHBondContact O-N 2.82Å | ||
| 291 | N | 49.1 | Very low | 60.2 | Low | 146 Ų | 146 | 103.3 Ų | 103.3 | 78% | 0.781 | 54% | 0.536 | S | S | * | . | trans | -61.8 | 92.2 | 173.6 | -81.5 | -25.5 | 0 | 0 | 0 | 110.6 | S289 P293 | S289-N291 PolarHBondContact O-N 2.97Å; N291-P293 WeakPolarHBondContact O-CD 3.48Å | ||
| 292 | Q | 40.5 | Very low | 59.7 | Low | 177 Ų | 177 | 111 Ų | 111 | 83% | 0.827 | 57% | 0.57 | S | S | * | * | trans | -61.8 | 121.4 | -179.4 | -67.2 | -168.2 | 21.5 | 0 | 0 | 110.9 | G290 S294 | G290-Q292 PolarHBondContact O-N 2.82Å; Q292-S294 PolarHBondContact O-N 2.93Å | ||
| 293 | P | 40.6 | Very low | 59.6 | Low | 112 Ų | 112 | 111.4 Ų | 111.4 | 73% | 0.727 | 57% | 0.57 | S | S | * | * | trans | -60.3 | 128 | 168.6 | 24.8 | -32.6 | 0 | 0 | 0 | 109 | N291 K295 | N291-P293 WeakPolarHBondContact O-CD 3.48Å; P293-K295 PolarHBondContact O-N 3.16Å | ||
| 294 | S | 42.6 | Very low | 59.6 | Low | 111 Ų | 111 | 111.1 Ų | 111.1 | 78% | 0.776 | 57% | 0.567 | S | S | * | * | trans | -65.5 | 96.8 | -161.8 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | Q292 K296 | Q292-S294 PolarHBondContact O-N 2.93Å; S294-K296 PolarHBondContact O-N 3Å | ||
| 295 | K | 35.9 | Very low | 59.8 | Low | 202 Ų | 202 | 112 Ų | 112 | 88% | 0.878 | 57% | 0.569 | S | S | * | * | S | Bend | trans | 44.8 | 51.4 | 161.6 | -64.5 | -176.6 | 178.4 | 175.5 | 0 | 116.5 | P293 | P293-K295 PolarHBondContact O-N 3.16Š|
| 296 | K | 40.8 | Very low | 60.1 | Low | 194 Ų | 194 | 119 Ų | 119 | 84% | 0.843 | 60% | 0.595 | S | S | * | * | trans | -146.3 | 129.6 | 165.2 | -104.5 | 155.5 | -172.5 | 175.3 | 0 | 112.4 | S294 | S294-K296 PolarHBondContact O-N 3Š| ||
| 297 | K | 40.6 | Very low | 60.4 | Low | 139 Ų | 139 | 116 Ų | 116 | 60% | 0.604 | 58% | 0.583 | S | S | * | * | trans | 42.2 | 97 | 173.5 | -71.8 | -175.3 | 170.7 | -177.9 | 0 | 117.5 | K299 G1365 N1366 | K297-K299 VanDerWaalsContact C-N 3.34Å; K297-K299 PolarHBondContact O-N 3.07Å; K297-G1365 PolarHBondContact NZ-O 3.1Å; K297-N1366 PolarHBondContact NZ-OD1 3.05Å | ||
| 298 | R | 35 | Very low | 61.1 | Low | 261 Ų | 261 | 112.7 Ų | 112.7 | 99% | 0.985 | 57% | 0.567 | S | S | * | * | trans | -68.2 | 87.1 | 155.6 | -77.8 | -173.3 | 173.8 | -170.4 | -3 | 110.7 | ||||
| 299 | K | 42.2 | Very low | 61.9 | Low | 151 Ų | 151 | 111.5 Ų | 111.5 | 66% | 0.657 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 154.8 | 148.2 | -77.4 | -173.3 | 174.9 | -177.1 | 0 | 108 | K297 E301 | K297-K299 VanDerWaalsContact C-N 3.34Å; K297-K299 PolarHBondContact O-N 3.07Å; K299-E301 PolarHBondContact O-N 3.21Å |
| 300 | S | 45.6 | Very low | 63.2 | Low | 117 Ų | 117 | 109 Ų | 109 | 82% | 0.818 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -67 | 117.8 | 167.3 | 50.4 | 0 | 0 | 0 | 0 | 109 | F302 | S300-F302 PolarHBondContact O-N 3.21Š|
| 301 | E | 59.6 | Low | 64.8 | Low | 132 Ų | 132 | 106 Ų | 106 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 124 | -173.6 | -163.3 | 164.7 | -134.3 | 0 | 0 | 110.4 | M287 K299 | M287-E301 HydrophobicContact CE-CB 3.73Å; M287-E301 HydrophobicContact CE-CG 3.58Å; M287-E301 WeakPolarHBondContact CG-OE2 3.46Å; K299-E301 PolarHBondContact O-N 3.21Å |
| 302 | F | 78.3 | Confident | 66.9 | Low | 161 Ų | 161 | 100.9 Ų | 100.9 | 71% | 0.706 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -97.4 | 117.9 | -164.4 | 174.2 | -95.2 | 0 | 0 | 0 | 111.6 | S300 P304 | S300-F302 PolarHBondContact O-N 3.21Å; F302-P304 HydrophobicContact CE1-CB 4.01Å |
| 303 | I | 85 | Confident | 69.3 | Low | 34 Ų | 34 | 93.8 Ų | 93.8 | 17% | 0.174 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -92.7 | 120.3 | 175.7 | -50.9 | 170.9 | 0 | 0 | 0 | 109 | V280 L284 M287 Y305 | V280-I303 HydrophobicContact CB-CG2 4.32Å; V280-I303 HydrophobicContact CG1-CG2 3.95Å; V280-I303 HydrophobicContact CG2-CG2 4.1Å; L284-I303 HydrophobicContact CD2-CD1 3.7Å; L284-I303 HydrophobicContact CG-CD1 4.26Å; M287-I303 HydrophobicContact CE-CD1 3.85Å; M287-I303 HydrophobicContact CE-CG1 3.48Å; M287-I303 VanDerWaalsContact CE-CG1 3.48Å; M287-I303 HydrophobicContact SD-CD1 3.84Å; M287-I303 HydrophobicContact SD-CG1 4.14Å; I303-Y305 HydrophobicContact CB-CD2 3.83Å; I303-Y305 HydrophobicContact CB-CE2 3.54Å; I303-Y305 HydrophobicContact CD1-CE2 3.89Å; I303-Y305 HydrophobicContact CG1-CE2 4.32Å; I303-Y305 HydrophobicContact CG2-CD1 4.4Å; I303-Y305 HydrophobicContact CG2-CD2 3.69Å; I303-Y305 HydrophobicContact CG2-CE1 4.15Å; I303-Y305 HydrophobicContact CG2-CE2 3.4Å; I303-Y305 HydrophobicContact CG2-CG 4.2Å; I303-Y305 PolarHBondContact O-N 3.2Å |
| 304 | P | 88.8 | Confident | 71.6 | Confident | 17 Ų | 17 | 88.8 Ų | 88.8 | 11% | 0.11 | 41% | 0.414 | C | S | . | . | trans | -80.3 | 49.4 | -169.9 | 33.5 | -37.5 | 0 | 0 | 0 | 113.7 | T276 K279 V280 F302 R306 D307 | T276-P304 WeakPolarHBondContact CG2-O 3.28Å; K279-P304 HydrophobicContact CB-CG 4.07Å; V280-P304 HydrophobicContact CG2-CG 4.12Å; F302-P304 HydrophobicContact CE1-CB 4.01Å; P304-R306 PolarHBondContact O-N 3.48Å; P304-D307 HydrophobicContact CB-CB 4.3Å; P304-D307 WeakPolarHBondContact O-CB 3.39Å; P304-D307 PolarHBondContact O-N 3.1Å | ||
| 305 | Y | 90.6 | Very high | 73.8 | Confident | 30 Ų | 30 | 87.9 Ų | 87.9 | 12% | 0.118 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -56.1 | -36.2 | -179.5 | -67 | -77.4 | 0 | 0 | 0 | 113 | V280 I303 D307 T311 W312 R315 L318 | V280-Y305 HydrophobicContact CG1-CD1 3.91Å; V280-Y305 HydrophobicContact CG1-CE1 3.66Å; V280-Y305 HydrophobicContact CG2-CD1 4.36Å; I303-Y305 HydrophobicContact CB-CD2 3.83Å; I303-Y305 HydrophobicContact CB-CE2 3.54Å; I303-Y305 HydrophobicContact CD1-CE2 3.89Å; I303-Y305 HydrophobicContact CG1-CE2 4.32Å; I303-Y305 HydrophobicContact CG2-CD1 4.4Å; I303-Y305 HydrophobicContact CG2-CD2 3.69Å; I303-Y305 HydrophobicContact CG2-CE1 4.15Å; I303-Y305 HydrophobicContact CG2-CE2 3.4Å; I303-Y305 HydrophobicContact CG2-CG 4.2Å; I303-Y305 PolarHBondContact O-N 3.2Å; Y305-D307 VanDerWaalsContact C-N 3.3Å; Y305-D307 PolarHBondContact O-N 2.93Å; Y305-T311 CarbonylContact O-C 3.51Å; Y305-T311 WeakPolarHBondContact O-CB 3.47Å; Y305-T311 PolarHBondContact O-OG1 3.23Å; Y305-W312 WeakPolarHBondContact O-CA 3.48Å; Y305-W312 PolarHBondContact O-N 3.46Å; Y305-R315 HydrophobicContact CD1-CB 3.74Å; Y305-R315 HydrophobicContact CD1-CG 3.79Å; Y305-R315 HydrophobicContact CD2-CG 3.99Å; Y305-R315 HydrophobicContact CE1-CB 4.13Å; Y305-R315 HydrophobicContact CE1-CG 3.95Å; Y305-R315 HydrophobicContact CE2-CG 4.13Å; Y305-R315 HydrophobicContact CG-CB 4.06Å; Y305-R315 HydrophobicContact CG-CG 3.8Å; Y305-L318 HydrophobicContact CE1-CB 4.31Å; Y305-L318 WeakPolarHBondContact CE1-O 3.26Å; Y305-L318 PolarHBondContact OH-O 3.43Å |
| 306 | R | 90.2 | Very high | 76.1 | Confident | 149 Ų | 149 | 81.4 Ų | 81.4 | 56% | 0.562 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -79.1 | -8.5 | -175.1 | -54.3 | -172.5 | 83.9 | 128.2 | -0.3 | 114 | E169 P304 S308 | E169-R306 IonicContact OE2-CZ 3.8Å; E169-R306 IonicContact OE2-NH1 2.72Å; E169-R306 PolarHBondContact OE2-NH1 3.31Å; E169-R306 IonicContact OE2-NH2 2.84Å; E169-R306 PolarHBondContact OE2-NH2 3.38Å; P304-R306 PolarHBondContact O-N 3.48Å; R306-S308 PolarHBondContact O-N 3.05Å |
| 307 | D | 89.7 | Confident | 78.4 | Confident | 68 Ų | 68 | 72.8 Ų | 72.8 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -68.3 | -19.5 | -178.3 | -79.6 | 27.7 | 0 | 0 | 0 | 112.4 | K272 T276 P304 Y305 | K272-D307 WeakPolarHBondContact CE-O 3.37Å; K272-D307 PolarHBondContact NZ-O 2.95Å; T276-D307 HydrophobicContact CG2-CB 3.5Å; P304-D307 HydrophobicContact CB-CB 4.3Å; P304-D307 WeakPolarHBondContact O-CB 3.39Å; P304-D307 PolarHBondContact O-N 3.1Å; Y305-D307 VanDerWaalsContact C-N 3.3Å; Y305-D307 PolarHBondContact O-N 2.93Å |
| 308 | S | 91.6 | Very high | 80.6 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -140.9 | 153 | 170.4 | 80.5 | 0 | 0 | 0 | 0 | 113.5 | E151 R306 L310 T311 W312 | E151-S308 VanDerWaalsContact OE2-CA 3.25Å; E151-S308 WeakPolarHBondContact OE2-CA 3.33Å; R306-S308 PolarHBondContact O-N 3.05Å; S308-L310 VanDerWaalsContact C-N 3.3Å; S308-L310 PolarHBondContact O-N 3.16Å; S308-T311 PolarHBondContact N-OG1 3.46Å; S308-T311 PolarHBondContact O-N 3.38Å; S308-T311 PolarHBondContact O-OG1 2.82Å; S308-T311 VanDerWaalsContact O-OG1 3.08Å; S308-T311 PolarHBondContact OG-N 3.12Å; S308-T311 PolarHBondContact OG-OG1 2.75Å; S308-W312 WeakPolarHBondContact O-CB 3.29Å; S308-W312 PolarHBondContact O-N 3.31Å |
| 309 | V | 91 | Very high | 82.7 | Confident | 22 Ų | 22 | 54.6 Ų | 54.6 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 178.8 | 168 | 0 | 0 | 0 | 0 | 111.5 | I148 E151 V153 V167 W312 L313 | I148-V309 HydrophobicContact CD1-CG1 4.4Å; I148-V309 HydrophobicContact CG2-CB 4.33Å; I148-V309 HydrophobicContact CG2-CG1 3.92Å; E151-V309 HydrophobicContact CB-CG2 4.28Å; E151-V309 PolarHBondContact OE1-N 2.92Å; E151-V309 PolarHBondContact OE2-N 3.37Å; V153-V309 HydrophobicContact CG2-CG1 3.61Å; V167-V309 HydrophobicContact CG2-CG1 3.97Å; V309-W312 PolarHBondContact O-N 2.9Å; V309-L313 HydrophobicContact CG1-CD1 4.08Å; V309-L313 WeakPolarHBondContact O-CG 3.41Å; V309-L313 PolarHBondContact O-N 3.11Å; V309-L313 VanDerWaalsContact O-N 3.08Å |
| 310 | L | 92.3 | Very high | 84.7 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.6 | -51.1 | 177.3 | 178 | 68.5 | 0 | 0 | 0 | 111.7 | I148 H217 L248 L274 L277 S308 W312 L313 L314 | I148-L310 HydrophobicContact CD1-CB 4.49Å; I148-L310 HydrophobicContact CD1-CD1 4.07Å; H217-L310 HydrophobicContact CB-CD1 4.28Å; L248-L310 HydrophobicContact CD2-CD1 3.87Å; L248-L310 HydrophobicContact CD2-CD2 3.8Å; L248-L310 HydrophobicContact CD2-CG 4.45Å; L274-L310 HydrophobicContact CD2-CD2 4.32Å; L277-L310 HydrophobicContact CD2-CD2 4.26Å; S308-L310 VanDerWaalsContact C-N 3.3Å; S308-L310 PolarHBondContact O-N 3.16Å; L310-W312 VanDerWaalsContact C-N 3.31Å; L310-W312 PolarHBondContact O-N 3.47Å; L310-L313 PolarHBondContact O-N 3Å; L310-L314 HydrophobicContact CD1-CD1 3.73Å; L310-L314 HydrophobicContact CD1-CG 4.29Å; L310-L314 HydrophobicContact CG-CD1 4.08Å; L310-L314 WeakPolarHBondContact O-CB 3.5Å; L310-L314 WeakPolarHBondContact O-CG 3.33Å; L310-L314 PolarHBondContact O-N 2.88Å |
| 311 | T | 92.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.7 | -24.1 | -178.8 | 50.5 | 0 | 0 | 0 | 0 | 113.7 | T276 L277 V280 Y305 S308 R315 | T276-T311 HydrophobicContact CG2-CG2 3.85Å; T276-T311 VanDerWaalsContact CG2-OG1 3.26Å; T276-T311 WeakPolarHBondContact CG2-OG1 3.31Å; L277-T311 VanDerWaalsContact CA-CG2 3.45Å; L277-T311 HydrophobicContact CB-CG2 3.91Å; L277-T311 HydrophobicContact CD1-CG2 3.95Å; V280-T311 HydrophobicContact CG2-CG2 4.11Å; Y305-T311 CarbonylContact O-C 3.51Å; Y305-T311 WeakPolarHBondContact O-CB 3.47Å; Y305-T311 PolarHBondContact O-OG1 3.23Å; S308-T311 PolarHBondContact N-OG1 3.46Å; S308-T311 PolarHBondContact O-N 3.38Å; S308-T311 PolarHBondContact O-OG1 2.82Å; S308-T311 VanDerWaalsContact O-OG1 3.08Å; S308-T311 PolarHBondContact OG-N 3.12Å; S308-T311 PolarHBondContact OG-OG1 2.75Å; T311-R315 PolarHBondContact O-N 3.41Å |
| 312 | W | 92 | Very high | 88.1 | Confident | 38 Ų | 38 | 38.4 Ų | 38.4 | 14% | 0.144 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.8 | -46.7 | 174.9 | -168 | 18.1 | 0 | 0 | 0 | 110 | V167 E169 P175 Y305 S308 V309 L310 R315 | V167-W312 HydrophobicContact CB-CE3 3.84Å; V167-W312 HydrophobicContact CB-CH2 4.3Å; V167-W312 HydrophobicContact CB-CZ3 3.64Å; V167-W312 HydrophobicContact CG1-CD2 3.82Å; V167-W312 HydrophobicContact CG1-CE3 3.47Å; V167-W312 VanDerWaalsContact CG1-CE3 3.47Å; V167-W312 HydrophobicContact CG1-CH2 4.01Å; V167-W312 HydrophobicContact CG1-CZ2 4.33Å; V167-W312 HydrophobicContact CG1-CZ3 3.58Å; V167-W312 VanDerWaalsContact O-CH2 3.3Å; V167-W312 WeakPolarHBondContact O-CH2 3.41Å; V167-W312 WeakPolarHBondContact O-CZ3 3.37Å; E169-W312 HydrophobicContact CB-CZ2 3.88Å; E169-W312 PolarHBondContact OE2-NE1 2.83Å; E169-W312 VanDerWaalsContact OE2-NE1 3.16Å; P175-W312 HydrophobicContact CB-CG 4.27Å; P175-W312 WeakPolarHBondContact CB-O 3.41Å; P175-W312 VanDerWaalsContact CG-CD1 3.44Å; P175-W312 HydrophobicContact CG-CG 4.38Å; P175-W312 VanDerWaalsContact CG-O 3.26Å; P175-W312 WeakPolarHBondContact CG-O 3.35Å; Y305-W312 WeakPolarHBondContact O-CA 3.48Å; Y305-W312 PolarHBondContact O-N 3.46Å; S308-W312 WeakPolarHBondContact O-CB 3.29Å; S308-W312 PolarHBondContact O-N 3.31Å; V309-W312 PolarHBondContact O-N 2.9Å; L310-W312 VanDerWaalsContact C-N 3.31Å; L310-W312 PolarHBondContact O-N 3.47Å; W312-R315 VanDerWaalsContact O-CB 3.23Å; W312-R315 WeakPolarHBondContact O-CB 3.11Å; W312-R315 PolarHBondContact O-N 3.36Å |
| 313 | L | 90.6 | Very high | 88.8 | Confident | 28 Ų | 28 | 32 Ų | 32 | 15% | 0.147 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.8 | -36.9 | 174.8 | -69.4 | 170.8 | 0 | 0 | 0 | 112.8 | M146 I148 V167 V177 V309 L310 R315 | M146-L313 HydrophobicContact CE-CD1 4.15Å; I148-L313 HydrophobicContact CD1-CD1 3.91Å; V167-L313 HydrophobicContact CG1-CD2 3.79Å; V167-L313 HydrophobicContact CG1-CG 4.23Å; V167-L313 HydrophobicContact CG2-CD1 4.06Å; V167-L313 HydrophobicContact CG2-CD2 4.09Å; V167-L313 HydrophobicContact CG2-CG 4.13Å; V177-L313 HydrophobicContact CG2-CD1 4.02Å; V177-L313 HydrophobicContact CG2-CD2 3.69Å; V309-L313 HydrophobicContact CG1-CD1 4.08Å; V309-L313 WeakPolarHBondContact O-CG 3.41Å; V309-L313 PolarHBondContact O-N 3.11Å; V309-L313 VanDerWaalsContact O-N 3.08Å; L310-L313 PolarHBondContact O-N 3Å; L313-R315 VanDerWaalsContact C-N 3.28Å; L313-R315 PolarHBondContact O-N 3.31Å |
| 314 | L | 89.1 | Confident | 89.2 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -83.3 | 7.8 | 176.9 | -64.3 | -178.6 | 0 | 0 | 0 | 114.5 | V246 L310 E316 N317 L318 | V246-L314 HydrophobicContact CG2-CD2 4.38Å; L310-L314 HydrophobicContact CD1-CD1 3.73Å; L310-L314 HydrophobicContact CD1-CG 4.29Å; L310-L314 HydrophobicContact CG-CD1 4.08Å; L310-L314 WeakPolarHBondContact O-CB 3.5Å; L310-L314 WeakPolarHBondContact O-CG 3.33Å; L310-L314 PolarHBondContact O-N 2.88Å; L314-E316 VanDerWaalsContact C-N 3.31Å; L314-E316 PolarHBondContact O-N 3.02Å; L314-N317 HydrophobicContact CD2-CB 4.37Å; L314-N317 CarbonylContact O-C 3.57Å; L314-N317 WeakPolarHBondContact O-CA 3.37Å; L314-N317 PolarHBondContact O-N 2.81Å; L314-L318 HydrophobicContact CB-CD1 3.87Å; L314-L318 HydrophobicContact CB-CG 4.3Å; L314-L318 PolarHBondContact O-N 3.13Å |
| 315 | R | 89.2 | Confident | 89.5 | Confident | 93 Ų | 93 | 29.7 Ų | 29.7 | 35% | 0.351 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -56.8 | -39.4 | -178.5 | 174.8 | 174.1 | 164.6 | -153.8 | -5.2 | 113.7 | E169 P175 Y305 T311 W312 L313 N317 | E169-R315 IonicContact OE1-CZ 2.74Å; E169-R315 IonicContact OE1-NH1 3.32Å; E169-R315 PolarHBondContact OE1-NH1 2.9Å; E169-R315 IonicContact OE2-NH1 3.08Å; P175-R315 HydrophobicContact CG-CB 4.45Å; Y305-R315 HydrophobicContact CD1-CB 3.74Å; Y305-R315 HydrophobicContact CD1-CG 3.79Å; Y305-R315 HydrophobicContact CD2-CG 3.99Å; Y305-R315 HydrophobicContact CE1-CB 4.13Å; Y305-R315 HydrophobicContact CE1-CG 3.95Å; Y305-R315 HydrophobicContact CE2-CG 4.13Å; Y305-R315 HydrophobicContact CG-CB 4.06Å; Y305-R315 HydrophobicContact CG-CG 3.8Å; T311-R315 PolarHBondContact O-N 3.41Å; W312-R315 VanDerWaalsContact O-CB 3.23Å; W312-R315 WeakPolarHBondContact O-CB 3.11Å; W312-R315 PolarHBondContact O-N 3.36Å; L313-R315 VanDerWaalsContact C-N 3.28Å; L313-R315 PolarHBondContact O-N 3.31Å; R315-N317 VanDerWaalsContact C-N 3.29Å |
| 316 | E | 84.9 | Confident | 89.7 | Confident | 66 Ų | 66 | 28.3 Ų | 28.3 | 31% | 0.308 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | -73.6 | -24.6 | 177.2 | -58.4 | -163.2 | 152.2 | 0 | 0 | 112.4 | L314 G320 N321 | L314-E316 VanDerWaalsContact C-N 3.31Å; L314-E316 PolarHBondContact O-N 3.02Å; E316-G320 CarbonylContact O-C 3.5Å; E316-G320 WeakPolarHBondContact O-CA 3.31Å; E316-N321 CarbonylContact O-C 3.49Å; E316-N321 PolarHBondContact O-N 3.18Å; E316-N321 VanDerWaalsContact O-N 3.09Å |
| 317 | N | 88.5 | Confident | 90 | Very high | 12 Ų | 12 | 21.2 Ų | 21.2 | 6% | 0.064 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -18.6 | 179.4 | -67.8 | -47.1 | 0 | 0 | 0 | 113.9 | C89 L314 R315 S322 T324 | C89-N317 HydrophobicContact CB-CB 3.86Å; C89-N317 VanDerWaalsContact CB-CG 3.49Å; C89-N317 WeakPolarHBondContact CB-OD1 3.49Å; L314-N317 HydrophobicContact CD2-CB 4.37Å; L314-N317 CarbonylContact O-C 3.57Å; L314-N317 WeakPolarHBondContact O-CA 3.37Å; L314-N317 PolarHBondContact O-N 2.81Å; R315-N317 VanDerWaalsContact C-N 3.29Å; N317-S322 WeakPolarHBondContact OD1-CB 3.11Å; N317-S322 PolarHBondContact OD1-OG 3.33Å; N317-T324 PolarHBondContact O-OG1 2.78Å |
| 318 | L | 85.8 | Confident | 90.3 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -116.8 | 90.2 | -175.9 | -62.7 | 171.2 | 0 | 0 | 0 | 110.2 | F91 L277 V280 L284 Y305 L314 G320 | F91-L318 HydrophobicContact CE1-CD2 4.16Å; F91-L318 HydrophobicContact CZ-CD2 4.42Å; L277-L318 HydrophobicContact CD1-CD1 3.43Å; L277-L318 VanDerWaalsContact CD1-CD1 3.43Å; V280-L318 HydrophobicContact CG1-CB 4.43Å; V280-L318 HydrophobicContact CG1-CD1 4.39Å; L284-L318 HydrophobicContact CD1-CB 4.12Å; L284-L318 WeakPolarHBondContact CD1-O 3.46Å; Y305-L318 HydrophobicContact CE1-CB 4.31Å; Y305-L318 WeakPolarHBondContact CE1-O 3.26Å; Y305-L318 PolarHBondContact OH-O 3.43Å; L314-L318 HydrophobicContact CB-CD1 3.87Å; L314-L318 HydrophobicContact CB-CG 4.3Å; L314-L318 PolarHBondContact O-N 3.13Å; L318-G320 VanDerWaalsContact C-N 3.29Å; L318-G320 PolarHBondContact O-N 2.79Å |
| 319 | G | 78.9 | Confident | 90.6 | Very high | 17 Ų | 17 | 18 Ų | 18 | 18% | 0.175 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 84.9 | -10 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | C355 | G319-C355 PolarHBondContact N-SG 2.88Š|
| 320 | G | 84.3 | Confident | 90.8 | Very high | 20 Ų | 20 | 17 Ų | 17 | 21% | 0.206 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -89 | -150.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | E316 L318 S322 R356 | E316-G320 CarbonylContact O-C 3.5Å; E316-G320 WeakPolarHBondContact O-CA 3.31Å; L318-G320 VanDerWaalsContact C-N 3.29Å; L318-G320 PolarHBondContact O-N 2.79Å; G320-S322 PolarHBondContact O-N 2.91Å; G320-R356 CarbonylContact O-C 3.57Å; G320-R356 PolarHBondContact O-N 3.09Å |
| 321 | N | 87.2 | Confident | 90.9 | Very high | 39 Ų | 39 | 17 Ų | 17 | 21% | 0.209 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -84.6 | 76.5 | 178.7 | 177 | 23.1 | 0 | 0 | 0 | 111.6 | N87 E316 A357 V358 N360 | N87-N321 WeakPolarHBondContact CB-O 3.23Å; N87-N321 PolarHBondContact ND2-ND2 2.77Å; N87-N321 PolarHBondContact ND2-O 3.1Å; N87-N321 VanDerWaalsContact ND2-O 3.13Å; E316-N321 CarbonylContact O-C 3.49Å; E316-N321 PolarHBondContact O-N 3.18Å; E316-N321 VanDerWaalsContact O-N 3.09Å; N321-A357 WeakPolarHBondContact OD1-CA 3.42Å; N321-V358 WeakPolarHBondContact OD1-CG2 3.42Å; N321-V358 PolarHBondContact OD1-N 3Å; N321-V358 PolarHBondContact OD1-O 2.94Å; N321-N360 PolarHBondContact ND2-OD1 3Å |
| 322 | S | 90.1 | Very high | 91 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -158.9 | 155.1 | 174.7 | -160.8 | 0 | 0 | 0 | 0 | 113 | N87 V88 N317 G320 C355 | N87-S322 WeakPolarHBondContact O-CA 3.39Å; N87-S322 PolarHBondContact O-OG 2.88Å; V88-S322 PolarHBondContact N-OG 2.77Å; N317-S322 WeakPolarHBondContact OD1-CB 3.11Å; N317-S322 PolarHBondContact OD1-OG 3.33Å; G320-S322 PolarHBondContact O-N 2.91Å; S322-C355 VanDerWaalsContact O-CB 3.26Å; S322-C355 WeakPolarHBondContact O-CB 3.43Å |
| 323 | K | 92.7 | Very high | 91 | Very high | 27 Ų | 27 | 15.1 Ų | 15.1 | 12% | 0.117 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 114.6 | 164.2 | -66.3 | -58.9 | -169.6 | 87.9 | 0 | 108.2 | T2 M78 H81 Y86 N87 V88 C89 A357 | T2-K323 HydrophobicContact CG2-CD 3.99Å; T2-K323 WeakPolarHBondContact OG1-CD 3.49Å; M78-K323 HydrophobicContact SD-CB 4.03Å; H81-K323 HydrophobicContact CB-CB 4.42Å; H81-K323 HydrophobicContact CB-CG 4.19Å; H81-K323 PolarHBondContact CD2-NZ 3.07Å; H81-K323 PolarHBondContact NE2-NZ 2.74Å; Y86-K323 HydrophobicContact CG-CG 4.39Å; N87-K323 PolarHBondContact O-N 2.66Å; V88-K323 CarbonylContact C-O 3.56Å; V88-K323 VanDerWaalsContact CA-O 3.31Å; V88-K323 WeakPolarHBondContact CA-O 3.4Å; V88-K323 HydrophobicContact CG2-CB 4.46Å; C89-K323 PolarHBondContact N-O 2.71Å; K323-A357 HydrophobicContact CD-CB 3.64Å; K323-A357 HydrophobicContact CG-CB 3.91Å |
| 324 | T | 94.2 | Very high | 91 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.018 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135.7 | -165.4 | -48.3 | 0 | 0 | 0 | 0 | 111.7 | V4 K5 C89 F91 N317 | V4-T324 WeakPolarHBondContact CA-O 3.35Å; V4-T324 HydrophobicContact CG1-CG2 4.19Å; V4-T324 HydrophobicContact CG2-CG2 4.49Å; K5-T324 PolarHBondContact N-O 3.22Å; C89-T324 HydrophobicContact CB-CG2 4.19Å; C89-T324 CarbonylContact O-C 3.57Å; C89-T324 VanDerWaalsContact O-CA 3.31Å; C89-T324 WeakPolarHBondContact O-CA 3.42Å; F91-T324 HydrophobicContact CD1-CG2 4.09Å; F91-T324 HydrophobicContact CE1-CG2 3.77Å; N317-T324 PolarHBondContact O-OG1 2.78Å |
| 325 | A | 94.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 141.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112 | K5 L74 M78 C89 I90 F91 | K5-A325 HydrophobicContact CB-CB 4.33Å; K5-A325 CarbonylContact O-C 3.55Å; K5-A325 VanDerWaalsContact O-CA 3.25Å; K5-A325 WeakPolarHBondContact O-CA 3.38Å; L74-A325 HydrophobicContact CD2-CB 4.42Å; M78-A325 HydrophobicContact CE-CB 4.02Å; C89-A325 PolarHBondContact O-N 2.75Å; I90-A325 WeakPolarHBondContact CA-O 3.25Å; F91-A325 WeakPolarHBondContact CD1-O 3.28Å; F91-A325 PolarHBondContact N-O 3.18Å |
| 326 | M | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 135.9 | 170.4 | 178.1 | 180 | 173.3 | 0 | 0 | 109.7 | K5 V6 A7 F91 Y93 A328 Y346 A347 A350 | K5-M326 PolarHBondContact O-N 3.08Å; V6-M326 HydrophobicContact CG2-CB 4.31Å; A7-M326 PolarHBondContact N-O 2.74Å; F91-M326 HydrophobicContact CD2-CB 4.42Å; F91-M326 HydrophobicContact CD2-CG 4.1Å; F91-M326 HydrophobicContact CE1-CB 4.02Å; F91-M326 HydrophobicContact CE2-CB 3.81Å; F91-M326 HydrophobicContact CE2-CG 3.48Å; F91-M326 VanDerWaalsContact CE2-CG 3.48Å; F91-M326 HydrophobicContact CE2-SD 3.89Å; F91-M326 HydrophobicContact CZ-CB 3.59Å; F91-M326 HydrophobicContact CZ-CG 3.77Å; F91-M326 HydrophobicContact CZ-SD 4.09Å; F91-M326 WeakPolarHBondContact O-CA 3.28Å; Y93-M326 HydrophobicContact CD1-CE 3.45Å; Y93-M326 VanDerWaalsContact CD1-CE 3.45Å; Y93-M326 HydrophobicContact CE1-CE 4.37Å; Y93-M326 HydrophobicContact CG-CE 3.77Å; M326-A328 HydrophobicContact CE-CB 4.14Å; M326-Y346 HydrophobicContact CE-CD1 3.75Å; M326-Y346 HydrophobicContact CE-CE1 4.34Å; M326-Y346 HydrophobicContact SD-CD1 4.48Å; M326-A347 HydrophobicContact CE-CB 3.98Å; M326-A347 HydrophobicContact SD-CB 4.38Å; M326-A350 HydrophobicContact SD-CB 3.45Å; M326-A350 WeakPolarHBondContact SD-CB 3.36Å |
| 327 | I | 96.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 108.1 | 170.2 | -51.8 | 178.2 | 0 | 0 | 0 | 109.3 | A7 V70 L74 I90 F91 A92 Y93 T103 I115 A329 | A7-I327 CarbonylContact O-C 3.54Å; A7-I327 WeakPolarHBondContact O-CA 3.17Å; V70-I327 HydrophobicContact CG1-CD1 4.35Å; L74-I327 HydrophobicContact CD1-CD1 3.95Å; L74-I327 HydrophobicContact CD1-CG1 4.02Å; I90-I327 HydrophobicContact CG2-CD1 3.99Å; I90-I327 HydrophobicContact CG2-CG1 4.38Å; F91-I327 PolarHBondContact O-N 2.95Å; A92-I327 CarbonylContact C-O 3.6Å; A92-I327 WeakPolarHBondContact CA-O 3.27Å; Y93-I327 PolarHBondContact N-O 2.92Å; T103-I327 HydrophobicContact CG2-CD1 4.05Å; T103-I327 HydrophobicContact CG2-CG2 4.22Å; I115-I327 HydrophobicContact CD1-CD1 3.35Å; I327-A329 PolarHBondContact O-N 2.83Å |
| 328 | A | 96.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 103.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | A7 V8 R9 Y93 M326 T343 A347 | A7-A328 PolarHBondContact O-N 2.92Å; V8-A328 CarbonylContact C-O 3.56Å; V8-A328 WeakPolarHBondContact CA-O 3.38Å; V8-A328 HydrophobicContact CG2-CB 3.91Å; R9-A328 PolarHBondContact N-O 2.8Å; Y93-A328 WeakPolarHBondContact O-CA 3.2Å; M326-A328 HydrophobicContact CE-CB 4.14Å; A328-T343 HydrophobicContact CB-CG2 3.83Å; A328-A347 HydrophobicContact CB-CB 3.83Å |
| 329 | A | 96.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 2% | 0.017 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 131.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | R9 Y93 A98 K100 I327 | R9-A329 WeakPolarHBondContact O-CA 3.44Å; Y93-A329 PolarHBondContact O-N 2.83Å; A98-A329 HydrophobicContact CB-CB 4.1Å; A98-A329 VanDerWaalsContact CB-O 3.29Å; A98-A329 WeakPolarHBondContact CB-O 3.48Å; K100-A329 HydrophobicContact CG-CB 4.04Å; I327-A329 PolarHBondContact O-N 2.83Å |
| 330 | I | 96.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 151.1 | -175.6 | 58.2 | 169.2 | 0 | 0 | 0 | 113 | V8 R9 V10 R11 I26 M28 T33 T340 T343 L344 | V8-I330 HydrophobicContact CG1-CD1 3.52Å; V8-I330 HydrophobicContact CG1-CG1 3.87Å; R9-I330 WeakPolarHBondContact O-CG1 3.31Å; R9-I330 PolarHBondContact O-N 2.83Å; V10-I330 HydrophobicContact CB-CD1 4.1Å; V10-I330 HydrophobicContact CB-CG1 3.83Å; V10-I330 HydrophobicContact CG2-CG1 4.26Å; R11-I330 PolarHBondContact N-O 2.77Å; I26-I330 HydrophobicContact CD1-CD1 3.93Å; I26-I330 HydrophobicContact CG1-CD1 4.04Å; I26-I330 HydrophobicContact CG2-CD1 4.22Å; M28-I330 HydrophobicContact CE-CD1 4.25Å; T33-I330 HydrophobicContact CG2-CD1 4.32Å; I330-T340 HydrophobicContact CB-CG2 3.69Å; I330-T340 HydrophobicContact CD1-CG2 4.02Å; I330-T340 HydrophobicContact CG1-CG2 4.42Å; I330-T340 HydrophobicContact CG2-CG2 3.83Å; I330-T343 HydrophobicContact CG2-CG2 3.63Å; I330-L344 HydrophobicContact CD1-CD2 4.27Å |
| 331 | S | 93.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -82.4 | 144.6 | 170.2 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | E17 A333 N336 | E17-S331 PolarHBondContact OE1-OG 2.65Å; S331-A333 VanDerWaalsContact C-N 3.26Å; S331-A333 WeakPolarHBondContact OG-CB 3.45Å; S331-A333 PolarHBondContact OG-N 2.86Å; S331-N336 WeakPolarHBondContact CB-ND2 3.39Å; S331-N336 PolarHBondContact OG-ND2 2.86Å | ||
| 332 | P | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -75.1 | -10 | 169.6 | 32.1 | -36.5 | 0 | 0 | 0 | 113.7 | V10 R11 F13 C24 I25 I57 | V10-P332 HydrophobicContact CG2-CB 3.76Å; V10-P332 HydrophobicContact CG2-CG 4.36Å; R11-P332 WeakPolarHBondContact O-CD 3.36Å; R11-P332 WeakPolarHBondContact O-CG 3.3Å; F13-P332 HydrophobicContact CD1-CG 3.79Å; F13-P332 HydrophobicContact CE1-CB 4.28Å; F13-P332 HydrophobicContact CE1-CG 3.95Å; F13-P332 HydrophobicContact CG-CG 4.11Å; F13-P332 HydrophobicContact CZ-CB 4.36Å; F13-P332 HydrophobicContact CZ-CG 4.36Å; C24-P332 CarbonylContact C-O 3.59Å; C24-P332 VanDerWaalsContact CA-O 3.31Å; C24-P332 WeakPolarHBondContact CA-O 3.26Å; I25-P332 WeakPolarHBondContact CG1-O 3.46Å; I25-P332 PolarHBondContact N-O 2.96Å; I57-P332 HydrophobicContact CD1-CB 4.37Å | ||
| 333 | A | 92.2 | Very high | 93 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.097 | C | C | . | . | B | Isolated β-bridge | trans | -90 | 138.3 | -162.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | F13 E17 C22 K23 I25 S331 I335 N336 | F13-A333 HydrophobicContact CD1-CB 4.18Å; F13-A333 HydrophobicContact CE1-CB 3.88Å; E17-A333 HydrophobicContact CB-CB 4.17Å; E17-A333 HydrophobicContact CG-CB 3.67Å; C22-A333 HydrophobicContact CB-CB 3.83Å; K23-A333 WeakPolarHBondContact O-CA 3.49Å; I25-A333 VanDerWaalsContact CD1-O 3.32Å; I25-A333 WeakPolarHBondContact CD1-O 3.48Å; S331-A333 VanDerWaalsContact C-N 3.26Å; S331-A333 WeakPolarHBondContact OG-CB 3.45Å; S331-A333 PolarHBondContact OG-N 2.86Å; A333-I335 VanDerWaalsContact C-N 3.31Å; A333-I335 HydrophobicContact CB-CG1 4.04Å; A333-I335 PolarHBondContact O-N 3.41Å; A333-N336 WeakPolarHBondContact O-CA 3.43Å; A333-N336 WeakPolarHBondContact O-CB 3.3Å; A333-N336 PolarHBondContact O-N 3.1Å |
| 334 | D | 90.2 | Very high | 93.1 | Very high | 53 Ų | 53 | 17.7 Ų | 17.7 | 28% | 0.283 | 9% | 0.091 | S | C | . | . | G | 310 helix | trans | -49.7 | -41.5 | 175.2 | 53.1 | 7.8 | 0 | 0 | 0 | 115 | C22 K23 I25 N336 Y337 | C22-D334 WeakPolarHBondContact CA-OD1 3.3Å; C22-D334 WeakPolarHBondContact CB-OD1 3.33Å; K23-D334 HydrophobicContact CB-CB 4.35Å; K23-D334 VanDerWaalsContact CB-OD2 3.29Å; K23-D334 WeakPolarHBondContact CB-OD2 3.44Å; K23-D334 WeakPolarHBondContact CG-OD2 3.28Å; K23-D334 PolarHBondContact N-OD1 3.49Å; K23-D334 PolarHBondContact N-OD2 3.16Å; K23-D334 PolarHBondContact O-N 3.43Å; I25-D334 HydrophobicContact CG2-CB 3.77Å; D334-N336 PolarHBondContact O-N 3.33Å; D334-Y337 WeakPolarHBondContact O-CB 3.44Å; D334-Y337 PolarHBondContact O-N 3.16Å |
| 335 | I | 88.3 | Confident | 93 | Very high | 87 Ų | 87 | 22.8 Ų | 22.8 | 45% | 0.446 | 11% | 0.11 | S | C | . | . | G | 310 helix | trans | -58.1 | -17.7 | 175.3 | 62 | 167.4 | 0 | 0 | 0 | 114 | E17 A333 | E17-I335 HydrophobicContact CG-CD1 4.02Å; A333-I335 VanDerWaalsContact C-N 3.31Å; A333-I335 HydrophobicContact CB-CG1 4.04Å; A333-I335 PolarHBondContact O-N 3.41Å |
| 336 | N | 89.4 | Confident | 92.9 | Very high | 24 Ų | 24 | 23.3 Ų | 23.3 | 13% | 0.128 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -107.7 | 13.7 | -178.9 | -68.1 | -54.5 | 0 | 0 | 0 | 113.2 | E17 Q95 S331 A333 D334 E338 E339 T340 | E17-N336 PolarHBondContact OE1-ND2 2.73Å; Q95-N336 PolarHBondContact NE2-OD1 3.23Å; S331-N336 WeakPolarHBondContact CB-ND2 3.39Å; S331-N336 PolarHBondContact OG-ND2 2.86Å; A333-N336 WeakPolarHBondContact O-CA 3.43Å; A333-N336 WeakPolarHBondContact O-CB 3.3Å; A333-N336 PolarHBondContact O-N 3.1Å; D334-N336 PolarHBondContact O-N 3.33Å; N336-E338 PolarHBondContact O-N 2.81Å; N336-E339 PolarHBondContact O-N 3.02Å; N336-T340 VanDerWaalsContact O-CB 3.27Å; N336-T340 WeakPolarHBondContact O-CB 3.27Å; N336-T340 PolarHBondContact O-N 3.34Å; N336-T340 PolarHBondContact O-OG1 2.6Å |
| 337 | Y | 91 | Very high | 92.8 | Very high | 29 Ų | 29 | 23.3 Ų | 23.3 | 11% | 0.114 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -52.3 | -52 | -174 | 176.8 | -93.4 | 0 | 0 | 0 | 114.1 | I25 I35 H36 G37 D334 T340 L341 | I25-Y337 HydrophobicContact CD1-CD2 3.96Å; I25-Y337 HydrophobicContact CD1-CG 4.42Å; I35-Y337 HydrophobicContact CD1-CD2 3.55Å; I35-Y337 HydrophobicContact CD1-CE2 3.7Å; I35-Y337 HydrophobicContact CD1-CG 4.25Å; I35-Y337 HydrophobicContact CG1-CD2 3.78Å; I35-Y337 HydrophobicContact CG1-CE2 3.71Å; H36-Y337 WeakPolarHBondContact O-CD2 3.33Å; H36-Y337 WeakPolarHBondContact O-CE2 3.45Å; G37-Y337 VanDerWaalsContact CA-CE2 3.49Å; D334-Y337 WeakPolarHBondContact O-CB 3.44Å; D334-Y337 PolarHBondContact O-N 3.16Å; Y337-T340 PolarHBondContact O-N 2.72Å; Y337-L341 HydrophobicContact CE1-CD2 3.88Å; Y337-L341 VanDerWaalsContact O-CB 3.26Å; Y337-L341 WeakPolarHBondContact O-CB 3.21Å; Y337-L341 PolarHBondContact O-N 2.82Å |
| 338 | E | 89 | Confident | 92.6 | Very high | 100 Ų | 100 | 26 Ų | 26 | 47% | 0.467 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -67.7 | -39.9 | -174.9 | -66.5 | -72.4 | 173.2 | 0 | 0 | 112.5 | K39 N336 S342 | K39-E338 IonicContact NZ-OE1 2.78Å; K39-E338 PolarHBondContact NZ-OE1 2.74Å; N336-E338 PolarHBondContact O-N 2.81Å; E338-S342 VanDerWaalsContact O-CB 3.26Å; E338-S342 WeakPolarHBondContact O-CB 3.47Å; E338-S342 PolarHBondContact O-N 3.27Å |
| 339 | E | 90.2 | Very high | 92.3 | Very high | 25 Ų | 25 | 29.8 Ų | 29.8 | 12% | 0.117 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -73.1 | -33.4 | 177.3 | -73.1 | -63.2 | 168.8 | 0 | 0 | 112.1 | Q95 E252 R253 N336 S342 T343 | Q95-E339 HydrophobicContact CB-CB 4.38Å; E252-E339 WeakPolarHBondContact CA-OE1 2.95Å; R253-E339 PolarHBondContact N-OE1 2.8Å; N336-E339 PolarHBondContact O-N 3.02Å; E339-S342 WeakPolarHBondContact O-CB 3.38Å; E339-S342 PolarHBondContact O-N 3.1Å; E339-T343 WeakPolarHBondContact O-CB 3.41Å; E339-T343 PolarHBondContact O-N 2.83Å; E339-T343 PolarHBondContact O-OG1 2.89Å |
| 340 | T | 93.2 | Very high | 92 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.7 | -43.3 | 172.7 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | I26 I35 I330 N336 Y337 S342 T343 L344 | I26-T340 HydrophobicContact CD1-CG2 3.79Å; I26-T340 HydrophobicContact CG1-CG2 4.42Å; I35-T340 HydrophobicContact CD1-CG2 3.99Å; I330-T340 HydrophobicContact CB-CG2 3.69Å; I330-T340 HydrophobicContact CD1-CG2 4.02Å; I330-T340 HydrophobicContact CG1-CG2 4.42Å; I330-T340 HydrophobicContact CG2-CG2 3.83Å; N336-T340 VanDerWaalsContact O-CB 3.27Å; N336-T340 WeakPolarHBondContact O-CB 3.27Å; N336-T340 PolarHBondContact O-N 3.34Å; N336-T340 PolarHBondContact O-OG1 2.6Å; Y337-T340 PolarHBondContact O-N 2.72Å; T340-S342 VanDerWaalsContact C-N 3.34Å; T340-S342 PolarHBondContact O-N 2.78Å; T340-T343 WeakPolarHBondContact O-CB 3.29Å; T340-T343 PolarHBondContact O-N 3.01Å; T340-L344 HydrophobicContact CG2-CD1 4.17Å; T340-L344 VanDerWaalsContact O-CG 3.3Å; T340-L344 WeakPolarHBondContact O-CG 3.37Å; T340-L344 PolarHBondContact O-N 2.93Å |
| 341 | L | 92.8 | Very high | 91.7 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.5 | -38.7 | 173.4 | -177.5 | 56.2 | 0 | 0 | 0 | 112.3 | I35 H46 F48 Y337 R345 | I35-L341 HydrophobicContact CD1-CB 4.04Å; I35-L341 HydrophobicContact CG2-CD1 4Å; H46-L341 HydrophobicContact CB-CD1 4.23Å; F48-L341 HydrophobicContact CE2-CD1 3.99Å; F48-L341 HydrophobicContact CZ-CD1 3.87Å; Y337-L341 HydrophobicContact CE1-CD2 3.88Å; Y337-L341 VanDerWaalsContact O-CB 3.26Å; Y337-L341 WeakPolarHBondContact O-CB 3.21Å; Y337-L341 PolarHBondContact O-N 2.82Å; L341-R345 HydrophobicContact CD1-CG 4.36Å; L341-R345 WeakPolarHBondContact O-CB 3.43Å; L341-R345 VanDerWaalsContact O-CG 3.28Å; L341-R345 WeakPolarHBondContact O-CG 3.4Å; L341-R345 PolarHBondContact O-N 3.25Å |
| 342 | S | 91.7 | Very high | 91.4 | Very high | 41 Ų | 41 | 36.1 Ų | 36.1 | 29% | 0.287 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.8 | -49.2 | 171.9 | -173.7 | 0 | 0 | 0 | 0 | 110.8 | E338 E339 T340 R345 Y346 | E338-S342 VanDerWaalsContact O-CB 3.26Å; E338-S342 WeakPolarHBondContact O-CB 3.47Å; E338-S342 PolarHBondContact O-N 3.27Å; E339-S342 WeakPolarHBondContact O-CB 3.38Å; E339-S342 PolarHBondContact O-N 3.1Å; T340-S342 VanDerWaalsContact C-N 3.34Å; T340-S342 PolarHBondContact O-N 2.78Å; S342-R345 PolarHBondContact O-N 3.21Å; S342-Y346 WeakPolarHBondContact O-CB 3.32Å; S342-Y346 PolarHBondContact O-N 2.84Å |
| 343 | T | 94.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.2 | -46.2 | 179 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | Y93 A328 I330 E339 T340 Y346 A347 | Y93-T343 HydrophobicContact CD1-CG2 4.1Å; Y93-T343 HydrophobicContact CE1-CG2 4.29Å; A328-T343 HydrophobicContact CB-CG2 3.83Å; I330-T343 HydrophobicContact CG2-CG2 3.63Å; E339-T343 WeakPolarHBondContact O-CB 3.41Å; E339-T343 PolarHBondContact O-N 2.83Å; E339-T343 PolarHBondContact O-OG1 2.89Å; T340-T343 WeakPolarHBondContact O-CB 3.29Å; T340-T343 PolarHBondContact O-N 3.01Å; T343-Y346 WeakPolarHBondContact O-CB 3.27Å; T343-Y346 PolarHBondContact O-N 2.72Å; T343-A347 PolarHBondContact O-N 3.2Å |
| 344 | L | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.6 | -47.9 | 176.9 | -72.1 | 168 | 0 | 0 | 0 | 112.1 | V8 I26 T33 I35 F48 Y50 I330 T340 Y346 A347 D348 | V8-L344 HydrophobicContact CG1-CD2 4Å; V8-L344 HydrophobicContact CG2-CD2 3.99Å; I26-L344 HydrophobicContact CD1-CD1 4.48Å; T33-L344 HydrophobicContact CG2-CD2 3.86Å; I35-L344 HydrophobicContact CB-CD1 3.86Å; I35-L344 HydrophobicContact CD1-CD1 4.36Å; I35-L344 HydrophobicContact CG2-CD1 3.71Å; F48-L344 HydrophobicContact CD2-CB 3.88Å; F48-L344 HydrophobicContact CD2-CD1 4.11Å; F48-L344 HydrophobicContact CD2-CD2 4.5Å; F48-L344 HydrophobicContact CD2-CG 4.39Å; F48-L344 HydrophobicContact CE2-CB 3.78Å; F48-L344 HydrophobicContact CE2-CD1 4.07Å; F48-L344 HydrophobicContact CG-CB 4.36Å; F48-L344 HydrophobicContact CZ-CB 4.18Å; Y50-L344 HydrophobicContact CE2-CD2 3.76Å; Y50-L344 VanDerWaalsContact OH-C 3.24Å; Y50-L344 VanDerWaalsContact OH-CA 3.27Å; Y50-L344 WeakPolarHBondContact OH-CA 3.23Å; Y50-L344 WeakPolarHBondContact OH-CB 3.39Å; Y50-L344 WeakPolarHBondContact OH-CD2 3.16Å; Y50-L344 PolarHBondContact OH-O 2.94Å; I330-L344 HydrophobicContact CD1-CD2 4.27Å; T340-L344 HydrophobicContact CG2-CD1 4.17Å; T340-L344 VanDerWaalsContact O-CG 3.3Å; T340-L344 WeakPolarHBondContact O-CG 3.37Å; T340-L344 PolarHBondContact O-N 2.93Å; L344-Y346 VanDerWaalsContact C-N 3.26Å; L344-Y346 PolarHBondContact O-N 3.07Å; L344-A347 PolarHBondContact O-N 2.98Å; L344-D348 PolarHBondContact O-N 2.7Å |
| 345 | R | 93.1 | Very high | 90.7 | Very high | 110 Ų | 110 | 36.1 Ų | 36.1 | 42% | 0.415 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.2 | -31.3 | 176.4 | -72.2 | 172.5 | 175.7 | 170.1 | 1.9 | 112.6 | H46 F48 L341 S342 R349 | H46-R345 PolarHBondContact NE2-NH2 3.01Å; F48-R345 HydrophobicContact CE1-CG 3.82Å; F48-R345 HydrophobicContact CZ-CG 3.74Å; L341-R345 HydrophobicContact CD1-CG 4.36Å; L341-R345 WeakPolarHBondContact O-CB 3.43Å; L341-R345 VanDerWaalsContact O-CG 3.28Å; L341-R345 WeakPolarHBondContact O-CG 3.4Å; L341-R345 PolarHBondContact O-N 3.25Å; S342-R345 PolarHBondContact O-N 3.21Å; R345-R349 PolarHBondContact O-N 3.29Å; R345-R349 PolarHBondContact O-NH1 3.38Å |
| 346 | Y | 91.3 | Very high | 90.7 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 4% | 0.043 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.2 | -44.7 | 177.3 | -161.5 | -77.9 | 0 | 0 | 0 | 111.4 | Y93 L274 L277 G278 I281 M326 S342 T343 L344 D348 R349 A350 | Y93-Y346 AromaticContact CD1-CD1 3.93Å; Y93-Y346 HydrophobicContact CD1-CD1 3.93Å; Y93-Y346 HydrophobicContact CD1-CE1 4.29Å; Y93-Y346 HydrophobicContact CD1-CG 4.29Å; Y93-Y346 HydrophobicContact CD2-CE1 4.2Å; Y93-Y346 AromaticContact CE1-CD1 3.6Å; Y93-Y346 HydrophobicContact CE1-CD1 3.6Å; Y93-Y346 AromaticContact CE1-CD2 3.97Å; Y93-Y346 HydrophobicContact CE1-CD2 3.97Å; Y93-Y346 HydrophobicContact CE1-CE1 4.03Å; Y93-Y346 HydrophobicContact CE1-CE2 4.39Å; Y93-Y346 AromaticContact CE1-CG 3.53Å; Y93-Y346 HydrophobicContact CE1-CG 3.53Å; Y93-Y346 HydrophobicContact CE2-CD1 4.35Å; Y93-Y346 AromaticContact CE2-CE1 3.93Å; Y93-Y346 HydrophobicContact CE2-CE1 3.93Å; Y93-Y346 HydrophobicContact CE2-CE2 4.13Å; Y93-Y346 AromaticContact CE2-CZ 3.79Å; Y93-Y346 HydrophobicContact CG-CD1 4.44Å; Y93-Y346 HydrophobicContact CG-CE1 4.38Å; Y93-Y346 AromaticContact CZ-CD1 3.83Å; Y93-Y346 AromaticContact CZ-CD2 3.66Å; Y93-Y346 AromaticContact CZ-CE1 3.84Å; Y93-Y346 AromaticContact CZ-CE2 3.7Å; Y93-Y346 AromaticContact CZ-CG 3.71Å; Y93-Y346 AromaticContact CZ-CZ 3.76Å; Y93-Y346 VanDerWaalsContact OH-CD2 3.22Å; Y93-Y346 WeakPolarHBondContact OH-CD2 3.32Å; Y93-Y346 VanDerWaalsContact OH-CE2 3.31Å; Y93-Y346 WeakPolarHBondContact OH-CE2 3.19Å; L274-Y346 PolarHBondContact O-OH 3.22Å; L277-Y346 VanDerWaalsContact C-OH 3.31Å; L277-Y346 WeakPolarHBondContact CB-OH 3.43Å; L277-Y346 WeakPolarHBondContact CD2-OH 3.41Å; L277-Y346 WeakPolarHBondContact CG-OH 3.41Å; G278-Y346 WeakPolarHBondContact CA-OH 3.48Å; G278-Y346 PolarHBondContact N-OH 2.71Å; I281-Y346 HydrophobicContact CD1-CD1 4.21Å; I281-Y346 HydrophobicContact CD1-CE1 3.36Å; M326-Y346 HydrophobicContact CE-CD1 3.75Å; M326-Y346 HydrophobicContact CE-CE1 4.34Å; M326-Y346 HydrophobicContact SD-CD1 4.48Å; S342-Y346 WeakPolarHBondContact O-CB 3.32Å; S342-Y346 PolarHBondContact O-N 2.84Å; T343-Y346 WeakPolarHBondContact O-CB 3.27Å; T343-Y346 PolarHBondContact O-N 2.72Å; L344-Y346 VanDerWaalsContact C-N 3.26Å; L344-Y346 PolarHBondContact O-N 3.07Å; Y346-D348 VanDerWaalsContact C-N 3.32Å; Y346-D348 PolarHBondContact O-N 3.4Å; Y346-R349 PolarHBondContact O-N 2.96Å; Y346-A350 PolarHBondContact O-N 2.97Å; Y346-A350 VanDerWaalsContact O-N 3.13Å |
| 347 | A | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.3 | -40.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V6 V8 Y50 M326 A328 T343 L344 R349 A350 K351 | V6-A347 HydrophobicContact CG1-CB 3.71Å; V8-A347 HydrophobicContact CG2-CB 4.44Å; Y50-A347 HydrophobicContact CD1-CB 4.27Å; Y50-A347 HydrophobicContact CE1-CB 3.57Å; M326-A347 HydrophobicContact CE-CB 3.98Å; M326-A347 HydrophobicContact SD-CB 4.38Å; A328-A347 HydrophobicContact CB-CB 3.83Å; T343-A347 PolarHBondContact O-N 3.2Å; L344-A347 PolarHBondContact O-N 2.98Å; A347-R349 PolarHBondContact O-N 2.72Å; A347-A350 WeakPolarHBondContact O-CB 3.36Å; A347-A350 PolarHBondContact O-N 3.43Å; A347-K351 PolarHBondContact O-N 2.84Å |
| 348 | D | 92 | Very high | 90.2 | Very high | 57 Ų | 57 | 42.1 Ų | 42.1 | 31% | 0.305 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 178.6 | -174.5 | 74.7 | 0 | 0 | 0 | 112.6 | F48 Y50 L344 Y346 K351 | F48-D348 HydrophobicContact CD1-CB 4.13Å; Y50-D348 HydrophobicContact CE1-CB 4.44Å; L344-D348 PolarHBondContact O-N 2.7Å; Y346-D348 VanDerWaalsContact C-N 3.32Å; Y346-D348 PolarHBondContact O-N 3.4Å; D348-K351 PolarHBondContact O-N 3.3Å |
| 349 | R | 90.5 | Very high | 90.1 | Very high | 79 Ų | 79 | 39.8 Ų | 39.8 | 30% | 0.298 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.7 | -37.7 | 173.2 | -68.1 | -167.9 | -56.2 | -69.5 | -2.3 | 112.8 | I281 S282 R345 Y346 A347 K351 Q352 | I281-R349 HydrophobicContact CG2-CB 4.03Å; S282-R349 PolarHBondContact OG-NE 2.93Å; S282-R349 VanDerWaalsContact OG-NE 3.12Å; R345-R349 PolarHBondContact O-N 3.29Å; R345-R349 PolarHBondContact O-NH1 3.38Å; Y346-R349 PolarHBondContact O-N 2.96Å; A347-R349 PolarHBondContact O-N 2.72Å; R349-K351 VanDerWaalsContact C-N 3.26Å; R349-K351 PolarHBondContact O-N 2.9Å; R349-Q352 WeakPolarHBondContact O-CB 3.24Å; R349-Q352 PolarHBondContact O-N 2.76Å |
| 350 | A | 91.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.1 | -34.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V6 I281 M326 Y346 A347 Q352 I353 | V6-A350 HydrophobicContact CG2-CB 4.12Å; I281-A350 HydrophobicContact CG2-CB 4.29Å; M326-A350 HydrophobicContact SD-CB 3.45Å; M326-A350 WeakPolarHBondContact SD-CB 3.36Å; Y346-A350 PolarHBondContact O-N 2.97Å; Y346-A350 VanDerWaalsContact O-N 3.13Å; A347-A350 WeakPolarHBondContact O-CB 3.36Å; A347-A350 PolarHBondContact O-N 3.43Å; A350-Q352 PolarHBondContact O-N 2.97Å; A350-Q352 VanDerWaalsContact O-N 3.16Å; A350-I353 WeakPolarHBondContact O-CB 3.36Å; A350-I353 WeakPolarHBondContact O-CG1 3.47Å; A350-I353 PolarHBondContact O-N 3.24Å; A350-I353 VanDerWaalsContact O-N 3.16Å |
| 351 | K | 89.9 | Confident | 88.5 | Confident | 56 Ų | 56 | 45.9 Ų | 45.9 | 24% | 0.243 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -22.3 | 178.6 | -173.4 | 165.1 | 170 | 160.6 | 0 | 113.7 | V6 T49 Y50 D51 A347 D348 R349 | V6-K351 HydrophobicContact CB-CB 4.24Å; V6-K351 HydrophobicContact CG2-CB 3.7Å; V6-K351 HydrophobicContact CG2-CG 4.44Å; T49-K351 PolarHBondContact O-NZ 2.81Å; Y50-K351 PolarHBondContact O-NZ 2.83Å; D51-K351 WeakPolarHBondContact OD1-CE 3.41Å; D51-K351 IonicContact OD1-NZ 3.72Å; D51-K351 PolarHBondContact OD1-NZ 3.43Å; A347-K351 PolarHBondContact O-N 2.84Å; D348-K351 PolarHBondContact O-N 3.3Å; R349-K351 VanDerWaalsContact C-N 3.26Å; R349-K351 PolarHBondContact O-N 2.9Å |
| 352 | Q | 87.5 | Confident | 87 | Confident | 79 Ų | 79 | 46.6 Ų | 46.6 | 37% | 0.369 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -12.1 | -179 | -58.2 | 176 | 9.5 | 0 | 0 | 113.2 | A285 S288 S289 R349 A350 | A285-Q352 HydrophobicContact CB-CB 3.79Å; S288-Q352 WeakPolarHBondContact CB-O 3.46Å; S288-Q352 PolarHBondContact OG-O 3.41Å; S289-Q352 PolarHBondContact OG-OE1 3.18Å; R349-Q352 WeakPolarHBondContact O-CB 3.24Å; R349-Q352 PolarHBondContact O-N 2.76Å; A350-Q352 PolarHBondContact O-N 2.97Å; A350-Q352 VanDerWaalsContact O-N 3.16Å |
| 353 | I | 87.9 | Confident | 85.2 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | trans | -74.3 | 130.5 | -176.4 | -60.6 | 175.9 | 0 | 0 | 0 | 111.1 | S3 V4 I281 L284 A350 | S3-I353 CarbonylContact C-O 3.58Å; S3-I353 VanDerWaalsContact CA-O 3.23Å; S3-I353 WeakPolarHBondContact CA-O 3.44Å; V4-I353 HydrophobicContact CB-CB 4.43Å; V4-I353 HydrophobicContact CG2-CB 3.71Å; V4-I353 HydrophobicContact CG2-CG2 3.74Å; V4-I353 PolarHBondContact N-O 3.17Å; I281-I353 HydrophobicContact CB-CD1 4Å; I281-I353 HydrophobicContact CG1-CD1 3.7Å; I281-I353 HydrophobicContact CG2-CD1 4.04Å; L284-I353 HydrophobicContact CB-CB 4.39Å; L284-I353 HydrophobicContact CB-CD1 4.12Å; L284-I353 HydrophobicContact CB-CG1 3.77Å; L284-I353 HydrophobicContact CB-CG2 4.03Å; L284-I353 HydrophobicContact CD1-CD1 4.25Å; L284-I353 HydrophobicContact CD1-CG2 4.03Å; L284-I353 HydrophobicContact CG-CG2 4.49Å; A350-I353 WeakPolarHBondContact O-CB 3.36Å; A350-I353 WeakPolarHBondContact O-CG1 3.47Å; A350-I353 PolarHBondContact O-N 3.24Å; A350-I353 VanDerWaalsContact O-N 3.16Å | ||
| 354 | V | 86.4 | Confident | 83.2 | Confident | 52 Ų | 52 | 49.7 Ų | 49.7 | 32% | 0.315 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 116.2 | 176.7 | -179.6 | 0 | 0 | 0 | 0 | 111.9 | M1 | M1-V354 HydrophobicContact CB-CG1 3.71Å; M1-V354 HydrophobicContact CG-CG1 4.41Å; M1-V354 HydrophobicContact SD-CG1 3.98Å |
| 355 | C | 87.6 | Confident | 81.4 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 158.7 | 173.9 | -64.5 | 0 | 0 | 0 | 0 | 112.9 | M1 T2 G319 S322 | M1-C355 CarbonylContact C-O 2.98Å; M1-C355 VanDerWaalsContact CA-O 3.26Å; M1-C355 WeakPolarHBondContact CA-O 3.47Å; T2-C355 PolarHBondContact N-O 2.88Å; T2-C355 PolarHBondContact O-N 2.96Å; G319-C355 PolarHBondContact N-SG 2.88Å; S322-C355 VanDerWaalsContact O-CB 3.26Å; S322-C355 WeakPolarHBondContact O-CB 3.43Å |
| 356 | R | 86.5 | Confident | 79.8 | Confident | 165 Ų | 165 | 51.9 Ų | 51.9 | 62% | 0.623 | 26% | 0.262 | S | S | * | . | trans | -119.9 | 53.9 | -177.3 | -62.4 | -172.1 | 178.6 | -174.7 | 2.7 | 112.1 | M1 G320 V358 | M1-R356 HydrophobicContact CG-CG 4.32Å; M1-R356 HydrophobicContact SD-CG 4.49Å; G320-R356 CarbonylContact O-C 3.57Å; G320-R356 PolarHBondContact O-N 3.09Å; R356-V358 PolarHBondContact O-N 2.43Å | ||
| 357 | A | 85.7 | Confident | 78.4 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | trans | -55.2 | 132.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y86 N321 K323 | Y86-A357 HydrophobicContact CD1-CB 3.75Å; Y86-A357 HydrophobicContact CE1-CB 4.26Å; N321-A357 WeakPolarHBondContact OD1-CA 3.42Å; K323-A357 HydrophobicContact CD-CB 3.64Å; K323-A357 HydrophobicContact CG-CB 3.91Å | ||
| 358 | V | 84.8 | Confident | 76.9 | Confident | 83 Ų | 83 | 53.9 Ų | 53.9 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | trans | -126.6 | 159.6 | 170.1 | -64.1 | 0 | 0 | 0 | 0 | 110 | Y86 N321 R356 N360 | Y86-V358 VanDerWaalsContact CD1-C 3.41Å; Y86-V358 VanDerWaalsContact CD1-O 3.25Å; Y86-V358 WeakPolarHBondContact CD1-O 3.4Å; N321-V358 WeakPolarHBondContact OD1-CG2 3.42Å; N321-V358 PolarHBondContact OD1-N 3Å; N321-V358 PolarHBondContact OD1-O 2.94Å; R356-V358 PolarHBondContact O-N 2.43Å; V358-N360 PolarHBondContact O-N 2.91Å | ||
| 359 | V | 86.6 | Confident | 75.6 | Confident | 51 Ų | 51 | 59.5 Ų | 59.5 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | B | Isolated β-bridge | trans | -74.4 | 121.8 | 173.2 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | Y86 K239 E361 | Y86-V359 HydrophobicContact CD1-CG2 4.43Å; Y86-V359 HydrophobicContact CE1-CG2 3.86Å; Y86-V359 HydrophobicContact CE2-CG2 4.03Å; K239-V359 HydrophobicContact CD-CG1 4.32Å; V359-E361 HydrophobicContact CG1-CG 4.21Å; V359-E361 PolarHBondContact O-N 2.93Å; V359-E361 VanDerWaalsContact O-N 3.15Å |
| 360 | N | 79.1 | Confident | 74.5 | Confident | 30 Ų | 30 | 60.3 Ų | 60.3 | 16% | 0.16 | 30% | 0.297 | C | S | . | . | trans | -87.3 | 79 | 178.7 | -39.7 | -82.5 | 0 | 0 | 0 | 110 | G85 N87 K239 V240 N321 V358 | G85-N360 PolarHBondContact O-N 3.38Å; G85-N360 PolarHBondContact O-ND2 3.44Å; N87-N360 PolarHBondContact N-ND2 2.89Å; N87-N360 PolarHBondContact ND2-ND2 2.89Å; N87-N360 PolarHBondContact OD1-ND2 3.02Å; K239-N360 WeakPolarHBondContact CA-O 3.31Å; V240-N360 PolarHBondContact N-O 3.19Å; V240-N360 WeakPolarHBondContact O-CB 3.41Å; V240-N360 PolarHBondContact O-ND2 2.91Å; N321-N360 PolarHBondContact ND2-OD1 3Å; V358-N360 PolarHBondContact O-N 2.91Å | ||
| 361 | E | 71.4 | Confident | 73.4 | Confident | 124 Ų | 124 | 61.2 Ų | 61.2 | 58% | 0.579 | 30% | 0.301 | S | S | * | . | B | Isolated β-bridge | trans | -70.1 | 136.2 | 162 | -81.4 | 160.7 | -167.9 | 0 | 0 | 109.4 | K239 V359 P363 | K239-E361 HydrophobicContact CD-CG 4.14Å; K239-E361 WeakPolarHBondContact CE-OE1 3.33Å; K239-E361 HydrophobicContact CG-CG 3.92Å; K239-E361 IonicContact NZ-OE1 3.47Å; K239-E361 PolarHBondContact NZ-OE1 3.04Å; V359-E361 HydrophobicContact CG1-CG 4.21Å; V359-E361 PolarHBondContact O-N 2.93Å; V359-E361 VanDerWaalsContact O-N 3.15Å; E361-P363 WeakPolarHBondContact O-CD 3.29Å |
| 362 | D | 61.5 | Low | 72.4 | Confident | 19 Ų | 19 | 63.5 Ų | 63.5 | 10% | 0.102 | 31% | 0.311 | C | S | . | . | trans | -69 | 116.8 | -144.8 | 176.6 | 47 | 0 | 0 | 0 | 115.5 | E238 V240 N364 A365 | E238-D362 HydrophobicContact CB-CB 3.65Å; E238-D362 HydrophobicContact CG-CB 3.99Å; E238-D362 WeakPolarHBondContact O-CB 3.41Å; E238-D362 PolarHBondContact O-N 3.34Å; V240-D362 HydrophobicContact CG2-CB 4.24Å; D362-N364 VanDerWaalsContact C-N 3.25Å; D362-N364 VanDerWaalsContact CG-N 3.27Å; D362-N364 PolarHBondContact O-N 2.82Å; D362-N364 VanDerWaalsContact OD1-CB 3.3Å; D362-N364 WeakPolarHBondContact OD1-CB 3.46Å; D362-N364 PolarHBondContact OD1-N 2.89Å; D362-N364 PolarHBondContact OD1-ND2 3.26Å; D362-N364 WeakPolarHBondContact OD2-CA 3.18Å; D362-N364 WeakPolarHBondContact OD2-CB 3.43Å; D362-N364 PolarHBondContact OD2-N 3.23Å; D362-A365 PolarHBondContact OD2-N 2.98Å | ||
| 363 | P | 53.5 | Low | 71.7 | Confident | 69 Ų | 69 | 63.6 Ų | 63.6 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -73.8 | -15.1 | 172.3 | 32.7 | -35.7 | 0 | 0 | 0 | 112.3 | E361 K366 L367 | E361-P363 WeakPolarHBondContact O-CD 3.29Å; P363-K366 WeakPolarHBondContact O-CB 3.42Å; P363-K366 PolarHBondContact O-N 3.2Å; P363-L367 VanDerWaalsContact O-CB 3.27Å; P363-L367 WeakPolarHBondContact O-CB 3.37Å; P363-L367 PolarHBondContact O-N 2.66Å |
| 364 | N | 53 | Low | 71 | Confident | 39 Ų | 39 | 66.2 Ų | 66.2 | 21% | 0.209 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.5 | -38 | 179.8 | -56.7 | -71.8 | 0 | 0 | 0 | 111.7 | D362 K366 L367 I368 | D362-N364 VanDerWaalsContact C-N 3.25Å; D362-N364 VanDerWaalsContact CG-N 3.27Å; D362-N364 PolarHBondContact O-N 2.82Å; D362-N364 VanDerWaalsContact OD1-CB 3.3Å; D362-N364 WeakPolarHBondContact OD1-CB 3.46Å; D362-N364 PolarHBondContact OD1-N 2.89Å; D362-N364 PolarHBondContact OD1-ND2 3.26Å; D362-N364 WeakPolarHBondContact OD2-CA 3.18Å; D362-N364 WeakPolarHBondContact OD2-CB 3.43Å; D362-N364 PolarHBondContact OD2-N 3.23Å; N364-K366 PolarHBondContact O-N 3.43Å; N364-L367 PolarHBondContact O-N 2.89Å; N364-L367 VanDerWaalsContact O-N 3.16Å; N364-I368 HydrophobicContact CB-CD1 4.44Å; N364-I368 VanDerWaalsContact O-CB 3.25Å; N364-I368 WeakPolarHBondContact O-CB 3.43Å; N364-I368 WeakPolarHBondContact O-CG1 3.5Å; N364-I368 PolarHBondContact O-N 2.74Å |
| 365 | A | 56 | Low | 70.3 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 32% | 0.322 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.7 | -29.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D362 | D362-A365 PolarHBondContact OD2-N 2.98Å |
| 366 | K | 60.9 | Low | 69.6 | Low | 116 Ų | 116 | 67.8 Ų | 67.8 | 50% | 0.504 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -76.8 | -50.1 | 169.7 | 178.4 | -178.7 | 167.7 | -177.9 | 0 | 111.5 | P363 N364 I368 R369 E370 | P363-K366 WeakPolarHBondContact O-CB 3.42Å; P363-K366 PolarHBondContact O-N 3.2Å; N364-K366 PolarHBondContact O-N 3.43Å; K366-I368 PolarHBondContact O-N 3.34Å; K366-R369 WeakPolarHBondContact O-CA 2.68Å; K366-R369 VanDerWaalsContact O-CB 3.3Å; K366-R369 WeakPolarHBondContact O-CB 3.23Å; K366-R369 PolarHBondContact O-N 2.65Å; K366-R369 VanDerWaalsContact O-N 3.08Å; K366-E370 WeakPolarHBondContact CE-OE1 3.28Å; K366-E370 IonicContact NZ-OE1 2.73Å; K366-E370 WeakPolarHBondContact O-CG 3.37Å; K366-E370 PolarHBondContact O-N 2.69Å |
| 367 | L | 61.6 | Low | 69.3 | Low | 25 Ų | 25 | 65.4 Ų | 65.4 | 13% | 0.131 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.5 | -39.7 | -177.6 | -178.7 | 62.8 | 0 | 0 | 0 | 112.4 | P363 N364 R369 E370 L371 L428 | P363-L367 VanDerWaalsContact O-CB 3.27Å; P363-L367 WeakPolarHBondContact O-CB 3.37Å; P363-L367 PolarHBondContact O-N 2.66Å; N364-L367 PolarHBondContact O-N 2.89Å; N364-L367 VanDerWaalsContact O-N 3.16Å; L367-R369 VanDerWaalsContact C-N 3.28Å; L367-R369 PolarHBondContact O-N 3.3Å; L367-E370 PolarHBondContact O-N 2.96Å; L367-L371 HydrophobicContact CD1-CD1 4.15Å; L367-L371 HydrophobicContact CD1-CG 4.13Å; L367-L371 HydrophobicContact CG-CD1 3.85Å; L367-L371 HydrophobicContact CG-CG 4.27Å; L367-L371 VanDerWaalsContact O-CB 3.29Å; L367-L371 WeakPolarHBondContact O-CB 3.14Å; L367-L371 VanDerWaalsContact O-CG 3.22Å; L367-L371 WeakPolarHBondContact O-CG 3.43Å; L367-L371 PolarHBondContact O-N 2.83Å; L367-L428 HydrophobicContact CD2-CD1 3.96Å; L367-L428 HydrophobicContact CG-CD1 4.31Å |
| 368 | I | 62.2 | Low | 68.8 | Low | 29 Ų | 29 | 65 Ų | 65 | 15% | 0.149 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.6 | -34.6 | 174.5 | -68.8 | 165.8 | 0 | 0 | 0 | 110.5 | N364 K366 K372 L428 | N364-I368 HydrophobicContact CB-CD1 4.44Å; N364-I368 VanDerWaalsContact O-CB 3.25Å; N364-I368 WeakPolarHBondContact O-CB 3.43Å; N364-I368 WeakPolarHBondContact O-CG1 3.5Å; N364-I368 PolarHBondContact O-N 2.74Å; K366-I368 PolarHBondContact O-N 3.34Å; I368-K372 HydrophobicContact CG2-CD 3.82Å; I368-K372 HydrophobicContact CG2-CG 4.39Å; I368-K372 WeakPolarHBondContact O-CB 3.38Å; I368-K372 WeakPolarHBondContact O-CG 3.34Å; I368-K372 PolarHBondContact O-N 2.58Å; I368-L428 HydrophobicContact CD1-CB 4.11Å; I368-L428 HydrophobicContact CG1-CB 3.95Å; I368-L428 HydrophobicContact CG1-CD1 4.23Å |
| 369 | R | 63 | Low | 68.3 | Low | 175 Ų | 175 | 64.5 Ų | 64.5 | 66% | 0.66 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -69.4 | -43.4 | 174.4 | -168.1 | -175.7 | -61.1 | 132.3 | 3.7 | 111.2 | K366 L367 S373 | K366-R369 WeakPolarHBondContact O-CA 2.68Å; K366-R369 VanDerWaalsContact O-CB 3.3Å; K366-R369 WeakPolarHBondContact O-CB 3.23Å; K366-R369 PolarHBondContact O-N 2.65Å; K366-R369 VanDerWaalsContact O-N 3.08Å; L367-R369 VanDerWaalsContact C-N 3.28Å; L367-R369 PolarHBondContact O-N 3.3Å; R369-S373 WeakPolarHBondContact O-CB 3.35Å; R369-S373 PolarHBondContact O-N 2.97Å |
| 370 | E | 67.8 | Low | 68 | Low | 95 Ų | 95 | 66.2 Ų | 66.2 | 44% | 0.444 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 176.1 | -70.8 | 170.9 | 164.2 | 0 | 0 | 111.7 | K366 L367 S373 E374 | K366-E370 WeakPolarHBondContact CE-OE1 3.28Å; K366-E370 IonicContact NZ-OE1 2.73Å; K366-E370 WeakPolarHBondContact O-CG 3.37Å; K366-E370 PolarHBondContact O-N 2.69Å; L367-E370 PolarHBondContact O-N 2.96Å; E370-S373 WeakPolarHBondContact O-CB 3.38Å; E370-S373 PolarHBondContact O-N 2.93Å; E370-E374 PolarHBondContact O-N 3.37Å |
| 371 | L | 68 | Low | 67.8 | Low | 20 Ų | 20 | 67.1 Ų | 67.1 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 176.6 | -71 | 170.4 | 0 | 0 | 0 | 112.6 | L367 S373 E374 V375 L424 I425 L428 | L367-L371 HydrophobicContact CD1-CD1 4.15Å; L367-L371 HydrophobicContact CD1-CG 4.13Å; L367-L371 HydrophobicContact CG-CD1 3.85Å; L367-L371 HydrophobicContact CG-CG 4.27Å; L367-L371 VanDerWaalsContact O-CB 3.29Å; L367-L371 WeakPolarHBondContact O-CB 3.14Å; L367-L371 VanDerWaalsContact O-CG 3.22Å; L367-L371 WeakPolarHBondContact O-CG 3.43Å; L367-L371 PolarHBondContact O-N 2.83Å; L371-S373 PolarHBondContact O-N 2.84Å; L371-E374 PolarHBondContact O-N 2.88Å; L371-E374 VanDerWaalsContact O-N 3.15Å; L371-V375 PolarHBondContact O-N 2.91Å; L371-L424 HydrophobicContact CD1-CB 4.49Å; L371-L424 HydrophobicContact CD1-CD2 3.78Å; L371-L424 HydrophobicContact CD1-CG 3.88Å; L371-L424 HydrophobicContact CD2-CD2 4.18Å; L371-I425 HydrophobicContact CB-CD1 3.9Å; L371-I425 HydrophobicContact CB-CG1 3.63Å; L371-I425 HydrophobicContact CD1-CG1 4.31Å; L371-L428 HydrophobicContact CD1-CD1 3.69Å |
| 372 | K | 69.2 | Low | 68 | Low | 104 Ų | 104 | 61.6 Ų | 61.6 | 45% | 0.452 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.6 | -34.5 | 174.2 | -76.7 | 173.2 | -179 | 169.2 | 0 | 111.3 | I368 C376 I425 N429 | I368-K372 HydrophobicContact CG2-CD 3.82Å; I368-K372 HydrophobicContact CG2-CG 4.39Å; I368-K372 WeakPolarHBondContact O-CB 3.38Å; I368-K372 WeakPolarHBondContact O-CG 3.34Å; I368-K372 PolarHBondContact O-N 2.58Å; K372-C376 WeakPolarHBondContact O-CB 3.48Å; K372-C376 PolarHBondContact O-N 3.44Å; K372-C376 VanDerWaalsContact O-N 3.12Å; K372-I425 HydrophobicContact CG-CD1 4.13Å; K372-N429 WeakPolarHBondContact CE-OD1 3.42Å; K372-N429 PolarHBondContact NZ-OD1 2.86Å |
| 373 | S | 72.5 | Confident | 68.6 | Low | 81 Ų | 81 | 66.3 Ų | 66.3 | 57% | 0.566 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -66.6 | -43.3 | 171.2 | -170.6 | 0 | 0 | 0 | 0 | 112.1 | R369 E370 L371 C376 R377 | R369-S373 WeakPolarHBondContact O-CB 3.35Å; R369-S373 PolarHBondContact O-N 2.97Å; E370-S373 WeakPolarHBondContact O-CB 3.38Å; E370-S373 PolarHBondContact O-N 2.93Å; L371-S373 PolarHBondContact O-N 2.84Å; S373-C376 PolarHBondContact O-N 2.65Å; S373-R377 WeakPolarHBondContact O-CB 3.23Å; S373-R377 PolarHBondContact O-N 3.37Å |
| 374 | E | 72.6 | Confident | 69.6 | Low | 57 Ų | 57 | 70.5 Ų | 70.5 | 27% | 0.266 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 177.7 | 178.9 | 63.5 | 179.7 | 0 | 0 | 112.6 | E370 L371 C376 R377 L378 | E370-E374 PolarHBondContact O-N 3.37Å; L371-E374 PolarHBondContact O-N 2.88Å; L371-E374 VanDerWaalsContact O-N 3.15Å; E374-C376 VanDerWaalsContact C-N 3.35Å; E374-C376 PolarHBondContact O-N 2.9Å; E374-R377 WeakPolarHBondContact O-CB 3.43Å; E374-R377 PolarHBondContact O-N 2.8Å; E374-R377 IonicContact OE1-CZ 3.75Å; E374-R377 IonicContact OE1-NE 2.69Å; E374-R377 IonicContact OE1-NH2 2.66Å; E374-R377 PolarHBondContact OE1-NH2 3.05Å; E374-R377 IonicContact OE2-CZ 2.7Å; E374-R377 VanDerWaalsContact OE2-CZ 3.27Å; E374-R377 IonicContact OE2-NE 2.65Å; E374-R377 PolarHBondContact OE2-NE 2.8Å; E374-R377 IonicContact OE2-NH2 3.2Å; E374-R377 PolarHBondContact OE2-NH2 2.86Å; E374-L378 HydrophobicContact CG-CD1 4.02Å; E374-L378 HydrophobicContact CG-CG 4.49Å; E374-L378 WeakPolarHBondContact O-CB 3.42Å; E374-L378 VanDerWaalsContact O-CG 3.3Å; E374-L378 WeakPolarHBondContact O-CG 3.42Å; E374-L378 PolarHBondContact O-N 2.84Å |
| 375 | V | 71.7 | Confident | 70.1 | Confident | 14 Ų | 14 | 73.6 Ų | 73.6 | 9% | 0.085 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.3 | -36.3 | 176 | 166.2 | 0 | 0 | 0 | 0 | 111.8 | L371 L378 K379 L418 E422 I425 | L371-V375 PolarHBondContact O-N 2.91Å; V375-L378 PolarHBondContact O-N 2.79Å; V375-K379 HydrophobicContact CG1-CD 4.17Å; V375-K379 HydrophobicContact CG1-CG 4.48Å; V375-K379 WeakPolarHBondContact O-CB 3.39Å; V375-K379 WeakPolarHBondContact O-CG 3.43Å; V375-K379 PolarHBondContact O-N 2.9Å; V375-L418 HydrophobicContact CG1-CD1 4.31Å; V375-E422 HydrophobicContact CB-CG 4.43Å; V375-E422 HydrophobicContact CG1-CG 3.76Å; V375-E422 HydrophobicContact CG2-CG 3.72Å; V375-I425 HydrophobicContact CB-CD1 3.98Å; V375-I425 HydrophobicContact CG2-CD1 3.53Å |
| 376 | C | 74.6 | Confident | 70.4 | Confident | 71 Ų | 71 | 74.9 Ų | 74.9 | 48% | 0.48 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 171.6 | -168.8 | 0 | 0 | 0 | 0 | 111 | K372 S373 E374 L378 K379 E380 | K372-C376 WeakPolarHBondContact O-CB 3.48Å; K372-C376 PolarHBondContact O-N 3.44Å; K372-C376 VanDerWaalsContact O-N 3.12Å; S373-C376 PolarHBondContact O-N 2.65Å; E374-C376 VanDerWaalsContact C-N 3.35Å; E374-C376 PolarHBondContact O-N 2.9Å; C376-L378 VanDerWaalsContact C-N 3.33Å; C376-L378 PolarHBondContact O-N 3.13Å; C376-K379 PolarHBondContact O-N 2.72Å; C376-E380 PolarHBondContact O-N 2.94Å |
| 377 | R | 78.6 | Confident | 70.5 | Confident | 115 Ų | 115 | 71.2 Ų | 71.2 | 43% | 0.434 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.9 | -39.8 | 176.7 | -167 | -169.6 | 68.7 | 71.5 | 0.8 | 112.8 | S373 E374 L381 | S373-R377 WeakPolarHBondContact O-CB 3.23Å; S373-R377 PolarHBondContact O-N 3.37Å; E374-R377 WeakPolarHBondContact O-CB 3.43Å; E374-R377 PolarHBondContact O-N 2.8Å; E374-R377 IonicContact OE1-CZ 3.75Å; E374-R377 IonicContact OE1-NE 2.69Å; E374-R377 IonicContact OE1-NH2 2.66Å; E374-R377 PolarHBondContact OE1-NH2 3.05Å; E374-R377 IonicContact OE2-CZ 2.7Å; E374-R377 VanDerWaalsContact OE2-CZ 3.27Å; E374-R377 IonicContact OE2-NE 2.65Å; E374-R377 PolarHBondContact OE2-NE 2.8Å; E374-R377 IonicContact OE2-NH2 3.2Å; E374-R377 PolarHBondContact OE2-NH2 2.86Å; R377-L381 WeakPolarHBondContact O-CB 3.38Å; R377-L381 PolarHBondContact O-N 2.92Å; R377-L381 VanDerWaalsContact O-N 3.15Å |
| 378 | L | 75.9 | Confident | 70.5 | Confident | 8 Ų | 8 | 74.6 Ų | 74.6 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -73.6 | -40.6 | 178 | -70.6 | 171.3 | 0 | 0 | 0 | 112.3 | E374 V375 C376 L381 L382 L418 | E374-L378 HydrophobicContact CG-CD1 4.02Å; E374-L378 HydrophobicContact CG-CG 4.49Å; E374-L378 WeakPolarHBondContact O-CB 3.42Å; E374-L378 VanDerWaalsContact O-CG 3.3Å; E374-L378 WeakPolarHBondContact O-CG 3.42Å; E374-L378 PolarHBondContact O-N 2.84Å; V375-L378 PolarHBondContact O-N 2.79Å; C376-L378 VanDerWaalsContact C-N 3.33Å; C376-L378 PolarHBondContact O-N 3.13Å; L378-L381 WeakPolarHBondContact O-CB 3.36Å; L378-L381 PolarHBondContact O-N 2.97Å; L378-L381 VanDerWaalsContact O-N 3.13Å; L378-L382 PolarHBondContact O-N 3.18Å; L378-L418 HydrophobicContact CB-CD1 3.62Å; L378-L418 HydrophobicContact CD1-CB 4.31Å; L378-L418 HydrophobicContact CD1-CD1 4.33Å |
| 379 | K | 75.6 | Confident | 70.3 | Confident | 73 Ų | 73 | 75.8 Ų | 75.8 | 32% | 0.317 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 174.6 | -75.2 | -176.6 | 178.4 | -179.8 | 0 | 112.2 | V375 C376 L381 L382 Q383 L418 E422 | V375-K379 HydrophobicContact CG1-CD 4.17Å; V375-K379 HydrophobicContact CG1-CG 4.48Å; V375-K379 WeakPolarHBondContact O-CB 3.39Å; V375-K379 WeakPolarHBondContact O-CG 3.43Å; V375-K379 PolarHBondContact O-N 2.9Å; C376-K379 PolarHBondContact O-N 2.72Å; K379-L381 VanDerWaalsContact C-N 3.29Å; K379-L381 PolarHBondContact O-N 2.72Å; K379-L382 PolarHBondContact O-N 3.37Å; K379-Q383 WeakPolarHBondContact O-CB 3.07Å; K379-Q383 WeakPolarHBondContact O-CG 3.42Å; K379-Q383 PolarHBondContact O-N 3.09Å; K379-L418 HydrophobicContact CG-CD1 3.96Å; K379-E422 WeakPolarHBondContact CE-OE1 3.42Å; K379-E422 IonicContact NZ-OE1 2.67Å; K379-E422 PolarHBondContact NZ-OE1 2.76Å |
| 380 | E | 78.2 | Confident | 70 | Confident | 87 Ų | 87 | 70.8 Ų | 70.8 | 41% | 0.407 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.5 | -40.1 | 169.9 | -83.1 | -170.9 | -133.7 | 0 | 0 | 112.5 | C376 K384 | C376-E380 PolarHBondContact O-N 2.94Å; E380-K384 WeakPolarHBondContact O-CB 3.23Å; E380-K384 VanDerWaalsContact O-CD 3.28Å; E380-K384 WeakPolarHBondContact O-CD 3.38Å; E380-K384 WeakPolarHBondContact O-CG 3.2Å; E380-K384 PolarHBondContact O-N 2.93Å; E380-K384 IonicContact OE2-NZ 3.81Å; E380-K384 PolarHBondContact OE2-NZ 2.99Å |
| 381 | L | 76.7 | Confident | 69.5 | Low | 50 Ų | 50 | 68.7 Ų | 68.7 | 26% | 0.262 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.1 | -41.6 | -178.1 | -164.6 | 152.2 | 0 | 0 | 0 | 111.3 | R377 L378 K379 K384 Q385 | R377-L381 WeakPolarHBondContact O-CB 3.38Å; R377-L381 PolarHBondContact O-N 2.92Å; R377-L381 VanDerWaalsContact O-N 3.15Å; L378-L381 WeakPolarHBondContact O-CB 3.36Å; L378-L381 PolarHBondContact O-N 2.97Å; L378-L381 VanDerWaalsContact O-N 3.13Å; K379-L381 VanDerWaalsContact C-N 3.29Å; K379-L381 PolarHBondContact O-N 2.72Å; L381-K384 PolarHBondContact O-N 3.46Å; L381-Q385 WeakPolarHBondContact O-CG 3.2Å; L381-Q385 PolarHBondContact O-N 3.25Å |
| 382 | L | 74.9 | Confident | 68.9 | Low | 7 Ų | 7 | 76 Ų | 76 | 4% | 0.037 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 173.9 | -69.3 | 168.9 | 0 | 0 | 0 | 112.2 | L378 K379 K384 Q385 G386 I387 I415 L418 | L378-L382 PolarHBondContact O-N 3.18Å; K379-L382 PolarHBondContact O-N 3.37Å; L382-K384 VanDerWaalsContact C-N 3.32Å; L382-K384 PolarHBondContact O-N 2.61Å; L382-Q385 CarbonylContact O-C 3.56Å; L382-Q385 WeakPolarHBondContact O-CA 3.35Å; L382-Q385 PolarHBondContact O-N 2.81Å; L382-G386 PolarHBondContact O-N 2.79Å; L382-I387 CarbonylContact C-O 3.58Å; L382-I387 HydrophobicContact CB-CB 4.29Å; L382-I387 HydrophobicContact CD2-CB 4.45Å; L382-I387 HydrophobicContact CD2-CD1 3.97Å; L382-I387 HydrophobicContact CD2-CG2 4.46Å; L382-I387 PolarHBondContact O-N 2.65Å; L382-I415 HydrophobicContact CD2-CG1 4.27Å; L382-L418 HydrophobicContact CD1-CD2 3.8Å |
| 383 | Q | 74.8 | Confident | 68 | Low | 119 Ų | 119 | 76.7 Ų | 76.7 | 56% | 0.556 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.5 | -39.7 | 175.4 | -76.4 | -177.6 | -15.2 | 0 | 0 | 112.1 | K379 Q385 G386 I387 | K379-Q383 WeakPolarHBondContact O-CB 3.07Å; K379-Q383 WeakPolarHBondContact O-CG 3.42Å; K379-Q383 PolarHBondContact O-N 3.09Å; Q383-Q385 PolarHBondContact O-N 3.32Å; Q383-G386 PolarHBondContact O-N 2.66Å; Q383-I387 PolarHBondContact N-O 2.79Å |
| 384 | K | 73.3 | Confident | 67 | Low | 157 Ų | 157 | 74.2 Ų | 74.2 | 68% | 0.683 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.5 | -17.1 | 174.3 | -72.5 | 162.4 | -165.7 | 168.3 | 0 | 113.4 | E380 L381 L382 | E380-K384 WeakPolarHBondContact O-CB 3.23Å; E380-K384 VanDerWaalsContact O-CD 3.28Å; E380-K384 WeakPolarHBondContact O-CD 3.38Å; E380-K384 WeakPolarHBondContact O-CG 3.2Å; E380-K384 PolarHBondContact O-N 2.93Å; E380-K384 IonicContact OE2-NZ 3.81Å; E380-K384 PolarHBondContact OE2-NZ 2.99Å; L381-K384 PolarHBondContact O-N 3.46Å; L382-K384 VanDerWaalsContact C-N 3.32Å; L382-K384 PolarHBondContact O-N 2.61Å |
| 385 | Q | 64.8 | Low | 65.9 | Low | 104 Ų | 104 | 75.2 Ų | 75.2 | 49% | 0.486 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 5.6 | 172.5 | -69.2 | 178.1 | -38.5 | 0 | 0 | 113.3 | L381 L382 Q383 I387 | L381-Q385 WeakPolarHBondContact O-CG 3.2Å; L381-Q385 PolarHBondContact O-N 3.25Å; L382-Q385 CarbonylContact O-C 3.56Å; L382-Q385 WeakPolarHBondContact O-CA 3.35Å; L382-Q385 PolarHBondContact O-N 2.81Å; Q383-Q385 PolarHBondContact O-N 3.32Å; Q385-I387 VanDerWaalsContact C-N 3.29Å; Q385-I387 PolarHBondContact O-N 3.3Å |
| 386 | G | 61.7 | Low | 65.1 | Low | 66 Ų | 66 | 80.5 Ų | 80.5 | 68% | 0.68 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 12.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L382 Q383 | L382-G386 PolarHBondContact O-N 2.79Å; Q383-G386 PolarHBondContact O-N 2.66Å |
| 387 | I | 62.2 | Low | 64 | Low | 38 Ų | 38 | 85.3 Ų | 85.3 | 20% | 0.195 | 45% | 0.445 | C | S | . | . | trans | -91.2 | 110.9 | 171.2 | -59.2 | 172.7 | 0 | 0 | 0 | 107.4 | L382 Q383 Q385 P389 L395 | L382-I387 CarbonylContact C-O 3.58Å; L382-I387 HydrophobicContact CB-CB 4.29Å; L382-I387 HydrophobicContact CD2-CB 4.45Å; L382-I387 HydrophobicContact CD2-CD1 3.97Å; L382-I387 HydrophobicContact CD2-CG2 4.46Å; L382-I387 PolarHBondContact O-N 2.65Å; Q383-I387 PolarHBondContact N-O 2.79Å; Q385-I387 VanDerWaalsContact C-N 3.29Å; Q385-I387 PolarHBondContact O-N 3.3Å; I387-P389 VanDerWaalsContact O-CD 3.28Å; I387-P389 WeakPolarHBondContact O-CD 3.39Å; I387-L395 HydrophobicContact CG2-CD1 4.23Å | ||
| 388 | D | 62.6 | Low | 62.8 | Low | 96 Ų | 96 | 85.2 Ų | 85.2 | 51% | 0.513 | 45% | 0.448 | S | S | . | . | trans | -82.9 | 111.8 | 172.8 | 178.1 | 12.3 | 0 | 0 | 0 | 110 | G390 | D388-G390 PolarHBondContact O-N 2.75Å; D388-G390 PolarHBondContact OD1-N 3.33Å | ||
| 389 | P | 57.5 | Low | 61.8 | Low | 55 Ų | 55 | 89.6 Ų | 89.6 | 36% | 0.357 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -5.9 | 178.2 | 32.9 | -36.4 | 0 | 0 | 0 | 113.3 | I387 | I387-P389 VanDerWaalsContact O-CD 3.28Å; I387-P389 WeakPolarHBondContact O-CD 3.39Å |
| 390 | G | 57.4 | Low | 60.7 | Low | 69 Ų | 69 | 92 Ų | 92 | 71% | 0.711 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -3.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | D388 | D388-G390 PolarHBondContact O-N 2.75Å; D388-G390 PolarHBondContact OD1-N 3.33Å |
| 391 | S | 56.1 | Low | 59.3 | Low | 52 Ų | 52 | 93.4 Ų | 93.4 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | trans | -129.5 | 78 | -171.9 | -160.2 | 0 | 0 | 0 | 0 | 113.4 | L393 A394 L395 | S391-L393 VanDerWaalsContact C-N 3.34Å; S391-L393 PolarHBondContact O-N 3.22Å; S391-A394 WeakPolarHBondContact O-CB 3.37Å; S391-A394 PolarHBondContact O-N 3.26Å; S391-A394 WeakPolarHBondContact OG-CB 3.39Å; S391-L395 PolarHBondContact O-N 3.06Å | ||
| 392 | E | 55.6 | Low | 57.7 | Low | 173 Ų | 173 | 98.6 Ų | 98.6 | 81% | 0.808 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -48.9 | -49.8 | 178.5 | -164.8 | 167.8 | -138.3 | 0 | 0 | 112.5 | A394 L395 | E392-A394 VanDerWaalsContact C-N 3.25Å; E392-A394 PolarHBondContact O-N 2.87Å; E392-L395 PolarHBondContact O-N 2.7Å |
| 393 | L | 51.1 | Low | 56.1 | Low | 119 Ų | 119 | 106.9 Ų | 106.9 | 62% | 0.623 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.1 | -16 | 178.2 | -70.9 | 169 | 0 | 0 | 0 | 115.1 | S391 R397 | S391-L393 VanDerWaalsContact C-N 3.34Å; S391-L393 PolarHBondContact O-N 3.22Å; L393-R397 WeakPolarHBondContact O-CD 3.32Å; L393-R397 WeakPolarHBondContact O-CG 3.41Å; L393-R397 PolarHBondContact O-NE 2.79Å |
| 394 | A | 50.2 | Low | 54.1 | Low | 29 Ų | 29 | 109.4 Ų | 109.4 | 24% | 0.24 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -91 | -23 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S391 E392 K398 | S391-A394 WeakPolarHBondContact O-CB 3.37Å; S391-A394 PolarHBondContact O-N 3.26Å; S391-A394 WeakPolarHBondContact OG-CB 3.39Å; E392-A394 VanDerWaalsContact C-N 3.25Å; E392-A394 PolarHBondContact O-N 2.87Å; A394-K398 WeakPolarHBondContact O-CB 3.13Å; A394-K398 WeakPolarHBondContact O-CD 3.28Å; A394-K398 VanDerWaalsContact O-CG 3.25Å; A394-K398 WeakPolarHBondContact O-CG 3.46Å; A394-K398 PolarHBondContact O-N 2.98Å |
| 395 | L | 51 | Low | 52.6 | Low | 77 Ų | 77 | 104.8 Ų | 104.8 | 40% | 0.403 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73.4 | -52.2 | -177.5 | -156.3 | 72.5 | 0 | 0 | 0 | 110.9 | I387 S391 E392 R397 K398 I399 | I387-L395 HydrophobicContact CG2-CD1 4.23Å; S391-L395 PolarHBondContact O-N 3.06Å; E392-L395 PolarHBondContact O-N 2.7Å; L395-R397 VanDerWaalsContact C-N 3.32Å; L395-R397 PolarHBondContact O-N 3.48Å; L395-K398 PolarHBondContact O-N 3.44Å; L395-K398 VanDerWaalsContact O-N 3.12Å; L395-I399 HydrophobicContact CG-CD1 4.17Å; L395-I399 WeakPolarHBondContact O-CG1 3.13Å; L395-I399 PolarHBondContact O-N 2.87Å |
| 396 | E | 55.1 | Low | 51.3 | Low | 126 Ų | 126 | 107 Ų | 107 | 59% | 0.589 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -55.7 | -45.5 | 177.6 | -63 | -170.7 | 127 | 0 | 0 | 112.4 | K398 I399 I400 | E396-K398 VanDerWaalsContact C-N 3.33Å; E396-K398 PolarHBondContact O-N 3.44Å; E396-I399 PolarHBondContact O-N 3.49Å; E396-I400 WeakPolarHBondContact O-CG1 3.4Å; E396-I400 PolarHBondContact O-N 3.17Å |
| 397 | R | 50.5 | Low | 50.3 | Low | 171 Ų | 171 | 109.8 Ų | 109.8 | 65% | 0.645 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.7 | -36 | 179.8 | -63.3 | -177.9 | -169.1 | -134.8 | 0.2 | 112.1 | L393 L395 T401 | L393-R397 WeakPolarHBondContact O-CD 3.32Å; L393-R397 WeakPolarHBondContact O-CG 3.41Å; L393-R397 PolarHBondContact O-NE 2.79Å; L395-R397 VanDerWaalsContact C-N 3.32Å; L395-R397 PolarHBondContact O-N 3.48Å; R397-T401 VanDerWaalsContact O-CB 3.31Å; R397-T401 WeakPolarHBondContact O-CB 3.48Å; R397-T401 PolarHBondContact O-N 2.75Å; R397-T401 VanDerWaalsContact O-N 3.16Å; R397-T401 PolarHBondContact O-OG1 2.73Å |
| 398 | K | 53.6 | Low | 49.6 | Very low | 114 Ų | 114 | 110.2 Ų | 110.2 | 50% | 0.496 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72 | -32.5 | 175.3 | -76.5 | 172.4 | -178.1 | 174.2 | 0 | 112.6 | A394 L395 E396 R402 | A394-K398 WeakPolarHBondContact O-CB 3.13Å; A394-K398 WeakPolarHBondContact O-CD 3.28Å; A394-K398 VanDerWaalsContact O-CG 3.25Å; A394-K398 WeakPolarHBondContact O-CG 3.46Å; A394-K398 PolarHBondContact O-N 2.98Å; L395-K398 PolarHBondContact O-N 3.44Å; L395-K398 VanDerWaalsContact O-N 3.12Å; E396-K398 VanDerWaalsContact C-N 3.33Å; E396-K398 PolarHBondContact O-N 3.44Å; K398-R402 WeakPolarHBondContact O-CB 3.31Å |
| 399 | I | 54.2 | Low | 49.1 | Very low | 100 Ų | 100 | 111 Ų | 111 | 51% | 0.513 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.7 | -49.7 | 175.6 | -68.7 | 164.1 | 0 | 0 | 0 | 110.5 | L395 E396 T401 | L395-I399 HydrophobicContact CG-CD1 4.17Å; L395-I399 WeakPolarHBondContact O-CG1 3.13Å; L395-I399 PolarHBondContact O-N 2.87Å; E396-I399 PolarHBondContact O-N 3.49Å; I399-T401 PolarHBondContact O-N 2.93Å |
| 400 | I | 54.2 | Low | 48.8 | Very low | 124 Ų | 124 | 112.6 Ų | 112.6 | 64% | 0.636 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.7 | -37.5 | -178.1 | -66.6 | 167.6 | 0 | 0 | 0 | 111.9 | E396 R402 | E396-I400 WeakPolarHBondContact O-CG1 3.4Å; E396-I400 PolarHBondContact O-N 3.17Å; I400-R402 PolarHBondContact O-N 3.05Å |
| 401 | T | 47.2 | Very low | 48.7 | Very low | 116 Ų | 116 | 111.3 Ų | 111.3 | 71% | 0.712 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 4.8 | -172.4 | -38 | 0 | 0 | 0 | 0 | 113.9 | R397 I399 | R397-T401 VanDerWaalsContact O-CB 3.31Å; R397-T401 WeakPolarHBondContact O-CB 3.48Å; R397-T401 PolarHBondContact O-N 2.75Å; R397-T401 VanDerWaalsContact O-N 3.16Å; R397-T401 PolarHBondContact O-OG1 2.73Å; I399-T401 PolarHBondContact O-N 2.93Å |
| 402 | R | 44.2 | Very low | 48.9 | Very low | 159 Ų | 159 | 115.3 Ų | 115.3 | 60% | 0.6 | 58% | 0.579 | S | S | * | * | trans | -132.9 | 50.6 | -175.5 | -69.2 | -172.9 | 168 | -172.4 | -3.8 | 114.5 | K398 I400 N404 | K398-R402 WeakPolarHBondContact O-CB 3.31Å; I400-R402 PolarHBondContact O-N 3.05Å; R402-N404 PolarHBondContact O-N 2.97Å | ||
| 403 | Q | 40.2 | Very low | 49.4 | Very low | 180 Ų | 180 | 110.5 Ų | 110.5 | 84% | 0.841 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 28.9 | 176.4 | -62.7 | -173.8 | -30.3 | 0 | 0 | 115.3 | ||
| 404 | N | 34 | Very low | 50.1 | Low | 172 Ų | 172 | 105.8 Ų | 105.8 | 92% | 0.92 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147 | 17.5 | -171.9 | -107.5 | -22.5 | 0 | 0 | 0 | 114.8 | R402 | R402-N404 PolarHBondContact O-N 2.97Š|
| 405 | S | 40.3 | Very low | 51 | Low | 61 Ų | 61 | 106.7 Ų | 106.7 | 43% | 0.427 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -129.3 | 137.2 | 176.1 | 54.8 | 0 | 0 | 0 | 0 | 111.5 | Y407 | S405-Y407 PolarHBondContact O-N 3.24Å; S405-Y407 VanDerWaalsContact O-N 3.12Å |
| 406 | V | 38.3 | Very low | 52 | Low | 151 Ų | 151 | 107 Ų | 107 | 92% | 0.915 | 54% | 0.539 | S | S | * | . | trans | -69 | 105 | -179.5 | -178.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 407 | Y | 41.1 | Very low | 52.8 | Low | 123 Ų | 123 | 107.7 Ų | 107.7 | 48% | 0.482 | 54% | 0.536 | S | S | . | . | trans | -78.4 | 143.7 | 158.1 | -77.2 | -82.1 | 0 | 0 | 0 | 109.2 | S405 | S405-Y407 PolarHBondContact O-N 3.24Å; S405-Y407 VanDerWaalsContact O-N 3.12Å | ||
| 408 | S | 47.1 | Very low | 53.9 | Low | 47 Ų | 47 | 100.2 Ų | 100.2 | 33% | 0.329 | 51% | 0.509 | S | S | . | . | trans | -88.3 | 147.9 | 178.9 | 71.1 | 0 | 0 | 0 | 0 | 111.6 | L410 E411 E412 | S408-L410 PolarHBondContact O-N 2.78Å; S408-L410 VanDerWaalsContact O-N 3.09Å; S408-E411 VanDerWaalsContact CB-OE2 3.3Å; S408-E411 WeakPolarHBondContact CB-OE2 3.41Å; S408-E411 PolarHBondContact N-OE2 2.92Å; S408-E411 PolarHBondContact O-N 2.85Å; S408-E411 WeakPolarHBondContact OG-CG 3.34Å; S408-E411 PolarHBondContact OG-N 2.93Å; S408-E411 PolarHBondContact OG-OE2 2.92Å; S408-E412 PolarHBondContact O-N 3.14Å | ||
| 409 | V | 52.1 | Low | 54.8 | Low | 113 Ų | 113 | 100.4 Ų | 100.4 | 69% | 0.685 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -56.1 | -27.3 | 172.3 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | D413 | V409-D413 VanDerWaalsContact O-CB 3.25Å; V409-D413 WeakPolarHBondContact O-CB 3.46Å; V409-D413 PolarHBondContact O-N 2.63Å |
| 410 | L | 51.7 | Low | 55.6 | Low | 88 Ų | 88 | 98.4 Ų | 98.4 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.5 | -28.1 | 177.6 | -62.6 | 174.3 | 0 | 0 | 0 | 113.6 | S408 A414 R1125 | S408-L410 PolarHBondContact O-N 2.78Å; S408-L410 VanDerWaalsContact O-N 3.09Å; L410-A414 WeakPolarHBondContact O-CB 3.48Å; L410-A414 PolarHBondContact O-N 2.84Å; L410-R1125 HydrophobicContact CD1-CB 4.36Å; L410-R1125 HydrophobicContact CD2-CB 4.09Å; L410-R1125 HydrophobicContact CD2-CG 4.15Å |
| 411 | E | 55 | Low | 56.3 | Low | 42 Ų | 42 | 93.3 Ų | 93.3 | 20% | 0.196 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -76.6 | -40.5 | 175.4 | -73 | 156.5 | 117.7 | 0 | 0 | 111 | S408 A414 I415 | S408-E411 VanDerWaalsContact CB-OE2 3.3Å; S408-E411 WeakPolarHBondContact CB-OE2 3.41Å; S408-E411 PolarHBondContact N-OE2 2.92Å; S408-E411 PolarHBondContact O-N 2.85Å; S408-E411 WeakPolarHBondContact OG-CG 3.34Å; S408-E411 PolarHBondContact OG-N 2.93Å; S408-E411 PolarHBondContact OG-OE2 2.92Å; E411-A414 PolarHBondContact O-N 2.83Å; E411-I415 VanDerWaalsContact O-CB 3.31Å; E411-I415 WeakPolarHBondContact O-CB 3.5Å; E411-I415 WeakPolarHBondContact O-CD1 3.49Å; E411-I415 WeakPolarHBondContact O-CG1 3.35Å; E411-I415 PolarHBondContact O-N 3.07Å |
| 412 | E | 60.1 | Low | 57.4 | Low | 136 Ų | 136 | 91 Ų | 91 | 64% | 0.636 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.7 | -47.9 | 173.8 | -166 | 165.9 | -147.4 | 0 | 0 | 110.6 | S408 A414 I415 D416 | S408-E412 PolarHBondContact O-N 3.14Å; E412-A414 VanDerWaalsContact C-N 3.34Å; E412-A414 PolarHBondContact O-N 2.75Å; E412-I415 PolarHBondContact O-N 3.16Å; E412-D416 WeakPolarHBondContact O-CB 3.44Å; E412-D416 PolarHBondContact O-N 2.97Å |
| 413 | D | 66.9 | Low | 58.7 | Low | 73 Ų | 73 | 89.4 Ų | 89.4 | 39% | 0.39 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.1 | -33 | 177 | -150 | 74.5 | 0 | 0 | 0 | 112.4 | V409 R417 | V409-D413 VanDerWaalsContact O-CB 3.25Å; V409-D413 WeakPolarHBondContact O-CB 3.46Å; V409-D413 PolarHBondContact O-N 2.63Å; D413-R417 VanDerWaalsContact O-CB 3.27Å; D413-R417 WeakPolarHBondContact O-CB 3.33Å; D413-R417 WeakPolarHBondContact O-CD 3.31Å; D413-R417 WeakPolarHBondContact O-CG 3.09Å; D413-R417 PolarHBondContact O-N 2.54Å; D413-R417 IonicContact OD2-CZ 2.72Å; D413-R417 IonicContact OD2-NE 3.88Å; D413-R417 PolarHBondContact OD2-NE 3.09Å; D413-R417 IonicContact OD2-NH2 2.71Å; D413-R417 PolarHBondContact OD2-NH2 2.83Å |
| 414 | A | 65 | Low | 59.9 | Low | 19 Ų | 19 | 83.7 Ų | 83.7 | 16% | 0.157 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -73.6 | -39.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L410 E411 E412 L418 | L410-A414 WeakPolarHBondContact O-CB 3.48Å; L410-A414 PolarHBondContact O-N 2.84Å; E411-A414 PolarHBondContact O-N 2.83Å; E412-A414 VanDerWaalsContact C-N 3.34Å; E412-A414 PolarHBondContact O-N 2.75Å; A414-L418 WeakPolarHBondContact O-CB 3.36Å; A414-L418 PolarHBondContact O-N 3.21Å |
| 415 | I | 68.6 | Low | 61.4 | Low | 48 Ų | 48 | 76.8 Ų | 76.8 | 25% | 0.246 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 175.7 | -74.8 | 167.3 | 0 | 0 | 0 | 110.3 | L382 E411 E412 L418 K419 | L382-I415 HydrophobicContact CD2-CG1 4.27Å; E411-I415 VanDerWaalsContact O-CB 3.31Å; E411-I415 WeakPolarHBondContact O-CB 3.5Å; E411-I415 WeakPolarHBondContact O-CD1 3.49Å; E411-I415 WeakPolarHBondContact O-CG1 3.35Å; E411-I415 PolarHBondContact O-N 3.07Å; E412-I415 PolarHBondContact O-N 3.16Å; I415-L418 WeakPolarHBondContact O-CB 3.39Å; I415-L418 PolarHBondContact O-N 3.42Å; I415-K419 HydrophobicContact CG2-CD 4.32Å; I415-K419 VanDerWaalsContact CG2-CE 3.41Å; I415-K419 VanDerWaalsContact O-CG 3.32Å; I415-K419 WeakPolarHBondContact O-CG 3.49Å; I415-K419 PolarHBondContact O-N 2.81Å |
| 416 | D | 72.4 | Confident | 62.6 | Low | 83 Ų | 83 | 76.9 Ų | 76.9 | 44% | 0.444 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -76.3 | -31.6 | 179.2 | -79.8 | 2.9 | 0 | 0 | 0 | 112.7 | E412 K419 A420 | E412-D416 WeakPolarHBondContact O-CB 3.44Å; E412-D416 PolarHBondContact O-N 2.97Å; D416-K419 PolarHBondContact O-N 2.9Å; D416-K419 WeakPolarHBondContact OD1-CD 3.17Å; D416-K419 IonicContact OD1-NZ 3.56Å; D416-K419 PolarHBondContact OD1-NZ 3.47Å; D416-A420 WeakPolarHBondContact O-CB 3.45Å; D416-A420 PolarHBondContact O-N 2.85Å |
| 417 | R | 72.5 | Confident | 63.7 | Low | 142 Ų | 142 | 74.2 Ų | 74.2 | 54% | 0.536 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 166.4 | -74.1 | 173.6 | -160.6 | -143.6 | 10.6 | 112.6 | D413 S421 | D413-R417 VanDerWaalsContact O-CB 3.27Å; D413-R417 WeakPolarHBondContact O-CB 3.33Å; D413-R417 WeakPolarHBondContact O-CD 3.31Å; D413-R417 WeakPolarHBondContact O-CG 3.09Å; D413-R417 PolarHBondContact O-N 2.54Å; D413-R417 IonicContact OD2-CZ 2.72Å; D413-R417 IonicContact OD2-NE 3.88Å; D413-R417 PolarHBondContact OD2-NE 3.09Å; D413-R417 IonicContact OD2-NH2 2.71Å; D413-R417 PolarHBondContact OD2-NH2 2.83Å; R417-S421 VanDerWaalsContact O-CB 3.27Å; R417-S421 WeakPolarHBondContact O-CB 3.44Å; R417-S421 PolarHBondContact O-N 3.43Å; R417-S421 PolarHBondContact O-OG 2.97Å |
| 418 | L | 72.5 | Confident | 64.7 | Low | 14 Ų | 14 | 70.8 Ų | 70.8 | 7% | 0.073 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.1 | -56.4 | 171.9 | -178.5 | 85.1 | 0 | 0 | 0 | 109.6 | V375 L378 K379 L382 A414 I415 A420 S421 E422 | V375-L418 HydrophobicContact CG1-CD1 4.31Å; L378-L418 HydrophobicContact CB-CD1 3.62Å; L378-L418 HydrophobicContact CD1-CB 4.31Å; L378-L418 HydrophobicContact CD1-CD1 4.33Å; K379-L418 HydrophobicContact CG-CD1 3.96Å; L382-L418 HydrophobicContact CD1-CD2 3.8Å; A414-L418 WeakPolarHBondContact O-CB 3.36Å; A414-L418 PolarHBondContact O-N 3.21Å; I415-L418 WeakPolarHBondContact O-CB 3.39Å; I415-L418 PolarHBondContact O-N 3.42Å; L418-A420 VanDerWaalsContact C-N 3.3Å; L418-A420 PolarHBondContact O-N 3.26Å; L418-S421 PolarHBondContact O-N 3Å; L418-S421 VanDerWaalsContact O-N 3.09Å; L418-E422 HydrophobicContact CD1-CG 4.39Å; L418-E422 WeakPolarHBondContact CD2-OE2 3.46Å; L418-E422 HydrophobicContact CG-CG 4.28Å; L418-E422 WeakPolarHBondContact CG-OE2 3.4Å; L418-E422 WeakPolarHBondContact O-CB 3.31Å; L418-E422 WeakPolarHBondContact O-CG 3.5Å; L418-E422 PolarHBondContact O-N 2.76Å |
| 419 | K | 74.2 | Confident | 65.2 | Low | 117 Ų | 117 | 71.3 Ų | 71.3 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -55.4 | -43.1 | 178.5 | -69.5 | 169.9 | -165.4 | 155.8 | 0 | 112.3 | I415 D416 K423 | I415-K419 HydrophobicContact CG2-CD 4.32Å; I415-K419 VanDerWaalsContact CG2-CE 3.41Å; I415-K419 VanDerWaalsContact O-CG 3.32Å; I415-K419 WeakPolarHBondContact O-CG 3.49Å; I415-K419 PolarHBondContact O-N 2.81Å; D416-K419 PolarHBondContact O-N 2.9Å; D416-K419 WeakPolarHBondContact OD1-CD 3.17Å; D416-K419 IonicContact OD1-NZ 3.56Å; D416-K419 PolarHBondContact OD1-NZ 3.47Å; K419-K423 WeakPolarHBondContact O-CB 3.29Å; K419-K423 PolarHBondContact O-N 3.44Å |
| 420 | A | 70.9 | Confident | 65.6 | Low | 59 Ų | 59 | 68.2 Ų | 68.2 | 49% | 0.488 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | D416 L418 L424 | D416-A420 WeakPolarHBondContact O-CB 3.45Å; D416-A420 PolarHBondContact O-N 2.85Å; L418-A420 VanDerWaalsContact C-N 3.3Å; L418-A420 PolarHBondContact O-N 3.26Å; A420-L424 VanDerWaalsContact O-CB 3.28Å; A420-L424 WeakPolarHBondContact O-CB 3.28Å; A420-L424 PolarHBondContact O-N 2.89Å |
| 421 | S | 68.2 | Low | 66 | Low | 17 Ų | 17 | 67.2 Ų | 67.2 | 12% | 0.119 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.2 | -42.1 | 177.4 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | R417 L418 L424 I425 | R417-S421 VanDerWaalsContact O-CB 3.27Å; R417-S421 WeakPolarHBondContact O-CB 3.44Å; R417-S421 PolarHBondContact O-N 3.43Å; R417-S421 PolarHBondContact O-OG 2.97Å; L418-S421 PolarHBondContact O-N 3Å; L418-S421 VanDerWaalsContact O-N 3.09Å; S421-L424 PolarHBondContact O-N 3.32Å; S421-I425 WeakPolarHBondContact O-CB 3.35Å; S421-I425 VanDerWaalsContact O-CG1 3.24Å; S421-I425 WeakPolarHBondContact O-CG1 3.27Å; S421-I425 PolarHBondContact O-N 2.71Å |
| 422 | E | 69.4 | Low | 66.2 | Low | 67 Ų | 67 | 69.2 Ų | 69.2 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 175.6 | -70 | -165.5 | 112.2 | 0 | 0 | 111.9 | V375 K379 L418 I425 A426 | V375-E422 HydrophobicContact CB-CG 4.43Å; V375-E422 HydrophobicContact CG1-CG 3.76Å; V375-E422 HydrophobicContact CG2-CG 3.72Å; K379-E422 WeakPolarHBondContact CE-OE1 3.42Å; K379-E422 IonicContact NZ-OE1 2.67Å; K379-E422 PolarHBondContact NZ-OE1 2.76Å; L418-E422 HydrophobicContact CD1-CG 4.39Å; L418-E422 WeakPolarHBondContact CD2-OE2 3.46Å; L418-E422 HydrophobicContact CG-CG 4.28Å; L418-E422 WeakPolarHBondContact CG-OE2 3.4Å; L418-E422 WeakPolarHBondContact O-CB 3.31Å; L418-E422 WeakPolarHBondContact O-CG 3.5Å; L418-E422 PolarHBondContact O-N 2.76Å; E422-I425 PolarHBondContact O-N 2.85Å; E422-A426 WeakPolarHBondContact O-CB 3.27Å; E422-A426 PolarHBondContact O-N 2.62Å |
| 423 | K | 72.6 | Confident | 66.5 | Low | 126 Ų | 126 | 68.6 Ų | 68.6 | 55% | 0.548 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 170.6 | 178.4 | 178.6 | 169.9 | -179.3 | 0 | 111.1 | K419 I425 A426 E427 | K419-K423 WeakPolarHBondContact O-CB 3.29Å; K419-K423 PolarHBondContact O-N 3.44Å; K423-I425 VanDerWaalsContact C-N 3.34Å; K423-I425 PolarHBondContact O-N 3.5Å; K423-A426 CarbonylContact O-C 3.56Å; K423-A426 WeakPolarHBondContact O-CB 3.36Å; K423-A426 PolarHBondContact O-N 2.95Å; K423-A426 VanDerWaalsContact O-N 3.15Å; K423-E427 WeakPolarHBondContact CE-OE1 3.43Å; K423-E427 HydrophobicContact CG-CG 4.45Å; K423-E427 IonicContact NZ-OE1 3.45Å; K423-E427 WeakPolarHBondContact O-CG 3.28Å; K423-E427 PolarHBondContact O-N 2.76Å |
| 424 | L | 64.8 | Low | 66.5 | Low | 60 Ų | 60 | 69.8 Ų | 69.8 | 31% | 0.314 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67 | -35.1 | 179 | -174 | 61.4 | 0 | 0 | 0 | 112 | L371 A420 S421 L428 | L371-L424 HydrophobicContact CD1-CB 4.49Å; L371-L424 HydrophobicContact CD1-CD2 3.78Å; L371-L424 HydrophobicContact CD1-CG 3.88Å; L371-L424 HydrophobicContact CD2-CD2 4.18Å; A420-L424 VanDerWaalsContact O-CB 3.28Å; A420-L424 WeakPolarHBondContact O-CB 3.28Å; A420-L424 PolarHBondContact O-N 2.89Å; S421-L424 PolarHBondContact O-N 3.32Å; L424-L428 HydrophobicContact CD1-CD1 4.15Å; L424-L428 HydrophobicContact CD1-CG 4.27Å; L424-L428 HydrophobicContact CG-CD1 3.95Å; L424-L428 HydrophobicContact CG-CG 4.47Å; L424-L428 VanDerWaalsContact O-CB 3.25Å; L424-L428 WeakPolarHBondContact O-CB 3.35Å; L424-L428 WeakPolarHBondContact O-CG 3.15Å; L424-L428 PolarHBondContact O-N 3.44Å |
| 425 | I | 64.9 | Low | 66.3 | Low | 27 Ų | 27 | 70.9 Ų | 70.9 | 14% | 0.138 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 169.6 | -72.4 | 172.4 | 0 | 0 | 0 | 110.5 | L371 K372 V375 S421 E422 K423 L428 N429 | L371-I425 HydrophobicContact CB-CD1 3.9Å; L371-I425 HydrophobicContact CB-CG1 3.63Å; L371-I425 HydrophobicContact CD1-CG1 4.31Å; K372-I425 HydrophobicContact CG-CD1 4.13Å; V375-I425 HydrophobicContact CB-CD1 3.98Å; V375-I425 HydrophobicContact CG2-CD1 3.53Å; S421-I425 WeakPolarHBondContact O-CB 3.35Å; S421-I425 VanDerWaalsContact O-CG1 3.24Å; S421-I425 WeakPolarHBondContact O-CG1 3.27Å; S421-I425 PolarHBondContact O-N 2.71Å; E422-I425 PolarHBondContact O-N 2.85Å; K423-I425 VanDerWaalsContact C-N 3.34Å; K423-I425 PolarHBondContact O-N 3.5Å; I425-L428 PolarHBondContact O-N 2.81Å; I425-N429 VanDerWaalsContact O-CB 3.26Å; I425-N429 WeakPolarHBondContact O-CB 3.3Å; I425-N429 PolarHBondContact O-N 3.18Å; I425-N429 PolarHBondContact O-ND2 2.7Å |
| 426 | A | 65.4 | Low | 66.3 | Low | 62 Ų | 62 | 71.2 Ų | 71.2 | 51% | 0.512 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E422 K423 E430 | E422-A426 WeakPolarHBondContact O-CB 3.27Å; E422-A426 PolarHBondContact O-N 2.62Å; K423-A426 CarbonylContact O-C 3.56Å; K423-A426 WeakPolarHBondContact O-CB 3.36Å; K423-A426 PolarHBondContact O-N 2.95Å; K423-A426 VanDerWaalsContact O-N 3.15Å; A426-E430 WeakPolarHBondContact O-CA 3.26Å; A426-E430 WeakPolarHBondContact O-CB 3.16Å; A426-E430 PolarHBondContact O-N 3.49Å |
| 427 | E | 62.9 | Low | 66.2 | Low | 96 Ų | 96 | 72.4 Ų | 72.4 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.2 | -30.4 | 175.8 | -71.1 | 175.2 | 165.5 | 0 | 0 | 112.9 | K423 | K423-E427 WeakPolarHBondContact CE-OE1 3.43Å; K423-E427 HydrophobicContact CG-CG 4.45Å; K423-E427 IonicContact NZ-OE1 3.45Å; K423-E427 WeakPolarHBondContact O-CG 3.28Å; K423-E427 PolarHBondContact O-N 2.76Å |
| 428 | L | 61.8 | Low | 65.8 | Low | 51 Ų | 51 | 72 Ų | 72 | 27% | 0.267 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -86.5 | -24.7 | 176.3 | -70.5 | 172.4 | 0 | 0 | 0 | 114 | L367 I368 L371 L424 I425 | L367-L428 HydrophobicContact CD2-CD1 3.96Å; L367-L428 HydrophobicContact CG-CD1 4.31Å; I368-L428 HydrophobicContact CD1-CB 4.11Å; I368-L428 HydrophobicContact CG1-CB 3.95Å; I368-L428 HydrophobicContact CG1-CD1 4.23Å; L371-L428 HydrophobicContact CD1-CD1 3.69Å; L424-L428 HydrophobicContact CD1-CD1 4.15Å; L424-L428 HydrophobicContact CD1-CG 4.27Å; L424-L428 HydrophobicContact CG-CD1 3.95Å; L424-L428 HydrophobicContact CG-CG 4.47Å; L424-L428 VanDerWaalsContact O-CB 3.25Å; L424-L428 WeakPolarHBondContact O-CB 3.35Å; L424-L428 WeakPolarHBondContact O-CG 3.15Å; L424-L428 PolarHBondContact O-N 3.44Å; I425-L428 PolarHBondContact O-N 2.81Å |
| 429 | N | 58.1 | Low | 65.3 | Low | 57 Ų | 57 | 72.6 Ų | 72.6 | 31% | 0.305 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -104.3 | 5.8 | 176.1 | -63.3 | -109.6 | 0 | 0 | 0 | 112.1 | K372 I425 T431 | K372-N429 WeakPolarHBondContact CE-OD1 3.42Å; K372-N429 PolarHBondContact NZ-OD1 2.86Å; I425-N429 VanDerWaalsContact O-CB 3.26Å; I425-N429 WeakPolarHBondContact O-CB 3.3Å; I425-N429 PolarHBondContact O-N 3.18Å; I425-N429 PolarHBondContact O-ND2 2.7Å; N429-T431 PolarHBondContact O-N 3.44Å |
| 430 | E | 59.9 | Low | 65 | Low | 48 Ų | 48 | 72.3 Ų | 72.3 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | trans | -52.5 | 109.2 | 170.5 | -170.9 | -177.4 | -139.7 | 0 | 0 | 107.1 | A426 E434 K435 R438 | A426-E430 WeakPolarHBondContact O-CA 3.26Å; A426-E430 WeakPolarHBondContact O-CB 3.16Å; A426-E430 PolarHBondContact O-N 3.49Å; E430-E434 HydrophobicContact CG-CB 3.91Å; E430-K435 HydrophobicContact CB-CG 4.26Å; E430-K435 HydrophobicContact CG-CG 3.77Å; E430-K435 WeakPolarHBondContact O-CE 3.43Å; E430-K435 WeakPolarHBondContact OE2-CE 3.27Å; E430-K435 WeakPolarHBondContact OE2-CG 3.49Å; E430-R438 WeakPolarHBondContact OE1-CD 3.47Å; E430-R438 IonicContact OE1-CZ 2.77Å; E430-R438 IonicContact OE1-NE 2.59Å; E430-R438 IonicContact OE1-NH1 3.73Å; E430-R438 PolarHBondContact OE1-NH1 2.96Å; E430-R438 IonicContact OE2-NH1 3.21Å | ||
| 431 | T | 59.8 | Low | 64.9 | Low | 68 Ų | 68 | 76.1 Ų | 76.1 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | trans | -63.7 | 157.1 | -166.9 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | N429 E433 E434 K435 | N429-T431 PolarHBondContact O-N 3.44Å; T431-E433 PolarHBondContact O-N 2.92Å; T431-E433 VanDerWaalsContact O-N 3.17Å; T431-E434 VanDerWaalsContact CB-OE2 3.3Å; T431-E434 WeakPolarHBondContact CB-OE2 3.33Å; T431-E434 VanDerWaalsContact CG2-OE2 3.31Å; T431-E434 WeakPolarHBondContact CG2-OE2 3.29Å; T431-E434 PolarHBondContact N-OE2 2.84Å; T431-E434 PolarHBondContact O-N 2.79Å; T431-E434 WeakPolarHBondContact OG1-CB 2.89Å; T431-E434 VanDerWaalsContact OG1-CD 3.23Å; T431-E434 VanDerWaalsContact OG1-CG 3.23Å; T431-E434 WeakPolarHBondContact OG1-CG 3.31Å; T431-E434 PolarHBondContact OG1-N 3.39Å; T431-E434 VanDerWaalsContact OG1-N 3.1Å; T431-E434 PolarHBondContact OG1-OE2 2.97Å; T431-K435 PolarHBondContact O-N 2.79Å | ||
| 432 | W | 60.2 | Low | 64.6 | Low | 83 Ų | 83 | 77.1 Ų | 77.1 | 31% | 0.314 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.2 | -33.5 | 175.9 | -176.5 | -109.6 | 0 | 0 | 0 | 111.6 | S140 A184 T186 L436 | S140-W432 VanDerWaalsContact CB-CZ3 3.42Å; A184-W432 HydrophobicContact CB-CE3 4.25Å; A184-W432 HydrophobicContact CB-CH2 3.63Å; A184-W432 HydrophobicContact CB-CZ2 4.3Å; A184-W432 HydrophobicContact CB-CZ3 3.6Å; T186-W432 HydrophobicContact CG2-CZ2 4.33Å; W432-L436 VanDerWaalsContact O-CB 3.27Å; W432-L436 WeakPolarHBondContact O-CB 3.44Å; W432-L436 PolarHBondContact O-N 2.89Å |
| 433 | E | 66.1 | Low | 64.4 | Low | 124 Ų | 124 | 80.2 Ų | 80.2 | 58% | 0.579 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.2 | -43.2 | 170.7 | -66.9 | -170.9 | -157 | 0 | 0 | 113.7 | T431 L436 K437 | T431-E433 PolarHBondContact O-N 2.92Å; T431-E433 VanDerWaalsContact O-N 3.17Å; E433-L436 PolarHBondContact O-N 2.95Å; E433-K437 VanDerWaalsContact O-CB 3.29Å; E433-K437 WeakPolarHBondContact O-CB 3.39Å; E433-K437 VanDerWaalsContact O-CD 3.31Å; E433-K437 WeakPolarHBondContact O-CD 3.1Å; E433-K437 WeakPolarHBondContact O-CG 3.46Å; E433-K437 PolarHBondContact O-N 3.17Å; E433-K437 IonicContact OE2-NZ 3.22Å; E433-K437 PolarHBondContact OE2-NZ 3.08Å |
| 434 | E | 65.4 | Low | 64.1 | Low | 97 Ų | 97 | 76.7 Ų | 76.7 | 45% | 0.453 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.6 | -39.3 | 177.2 | -74.3 | 159.3 | 140.4 | 0 | 0 | 111.5 | E430 T431 L436 K437 R438 | E430-E434 HydrophobicContact CG-CB 3.91Å; T431-E434 VanDerWaalsContact CB-OE2 3.3Å; T431-E434 WeakPolarHBondContact CB-OE2 3.33Å; T431-E434 VanDerWaalsContact CG2-OE2 3.31Å; T431-E434 WeakPolarHBondContact CG2-OE2 3.29Å; T431-E434 PolarHBondContact N-OE2 2.84Å; T431-E434 PolarHBondContact O-N 2.79Å; T431-E434 WeakPolarHBondContact OG1-CB 2.89Å; T431-E434 VanDerWaalsContact OG1-CD 3.23Å; T431-E434 VanDerWaalsContact OG1-CG 3.23Å; T431-E434 WeakPolarHBondContact OG1-CG 3.31Å; T431-E434 PolarHBondContact OG1-N 3.39Å; T431-E434 VanDerWaalsContact OG1-N 3.1Å; T431-E434 PolarHBondContact OG1-OE2 2.97Å; E434-L436 VanDerWaalsContact C-N 3.33Å; E434-L436 PolarHBondContact O-N 3.36Å; E434-K437 PolarHBondContact O-N 2.87Å; E434-R438 WeakPolarHBondContact O-CB 3.47Å; E434-R438 PolarHBondContact O-N 2.96Å |
| 435 | K | 61.9 | Low | 64.1 | Low | 43 Ų | 43 | 75.5 Ų | 75.5 | 19% | 0.187 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 172.3 | -69.6 | -173.3 | 174.1 | -172.4 | 0 | 112.4 | E142 A184 E430 T431 T439 | E142-K435 IonicContact OE1-NZ 3.74Å; E142-K435 PolarHBondContact OE1-NZ 2.87Å; A184-K435 HydrophobicContact CB-CB 3.94Å; E430-K435 HydrophobicContact CB-CG 4.26Å; E430-K435 HydrophobicContact CG-CG 3.77Å; E430-K435 WeakPolarHBondContact O-CE 3.43Å; E430-K435 WeakPolarHBondContact OE2-CE 3.27Å; E430-K435 WeakPolarHBondContact OE2-CG 3.49Å; T431-K435 PolarHBondContact O-N 2.79Å; K435-T439 WeakPolarHBondContact O-CB 3.3Å; K435-T439 PolarHBondContact O-N 2.85Å; K435-T439 PolarHBondContact O-OG1 2.84Å |
| 436 | L | 68.3 | Low | 63.6 | Low | 54 Ų | 54 | 75 Ų | 75 | 28% | 0.283 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.6 | -53.4 | 174.1 | -169.2 | 67.1 | 0 | 0 | 0 | 110.7 | T186 W432 E433 E434 R438 T439 E440 | T186-L436 HydrophobicContact CG2-CD1 3.88Å; W432-L436 VanDerWaalsContact O-CB 3.27Å; W432-L436 WeakPolarHBondContact O-CB 3.44Å; W432-L436 PolarHBondContact O-N 2.89Å; E433-L436 PolarHBondContact O-N 2.95Å; E434-L436 VanDerWaalsContact C-N 3.33Å; E434-L436 PolarHBondContact O-N 3.36Å; L436-R438 PolarHBondContact O-N 2.99Å; L436-T439 CarbonylContact O-C 3.42Å; L436-T439 WeakPolarHBondContact O-CA 3.34Å; L436-T439 WeakPolarHBondContact O-CB 3.4Å; L436-T439 PolarHBondContact O-N 2.8Å; L436-E440 WeakPolarHBondContact O-CG 3.37Å; L436-E440 PolarHBondContact O-N 2.97Å |
| 437 | K | 70.7 | Confident | 63.4 | Low | 108 Ų | 108 | 74.9 Ų | 74.9 | 47% | 0.47 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -55.6 | -35.6 | 175.1 | -72.5 | 159.3 | -177.1 | 156.1 | 0 | 112.4 | E433 E434 F441 | E433-K437 VanDerWaalsContact O-CB 3.29Å; E433-K437 WeakPolarHBondContact O-CB 3.39Å; E433-K437 VanDerWaalsContact O-CD 3.31Å; E433-K437 WeakPolarHBondContact O-CD 3.1Å; E433-K437 WeakPolarHBondContact O-CG 3.46Å; E433-K437 PolarHBondContact O-N 3.17Å; E433-K437 IonicContact OE2-NZ 3.22Å; E433-K437 PolarHBondContact OE2-NZ 3.08Å; E434-K437 PolarHBondContact O-N 2.87Å; K437-F441 WeakPolarHBondContact O-CB 3.38Å; K437-F441 PolarHBondContact O-N 3.42Å |
| 438 | R | 63.6 | Low | 63.2 | Low | 135 Ų | 135 | 72.3 Ų | 72.3 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70.3 | -39.4 | 174.4 | -177.5 | 173.9 | -173 | 157.7 | 2.2 | 111.8 | E430 E434 L436 F441 I442 | E430-R438 WeakPolarHBondContact OE1-CD 3.47Å; E430-R438 IonicContact OE1-CZ 2.77Å; E430-R438 IonicContact OE1-NE 2.59Å; E430-R438 IonicContact OE1-NH1 3.73Å; E430-R438 PolarHBondContact OE1-NH1 2.96Å; E430-R438 IonicContact OE2-NH1 3.21Å; E434-R438 WeakPolarHBondContact O-CB 3.47Å; E434-R438 PolarHBondContact O-N 2.96Å; L436-R438 PolarHBondContact O-N 2.99Å; R438-F441 PolarHBondContact O-N 2.83Å; R438-I442 HydrophobicContact CG-CD1 3.95Å; R438-I442 VanDerWaalsContact O-CB 3.28Å; R438-I442 WeakPolarHBondContact O-CB 3.07Å; R438-I442 WeakPolarHBondContact O-CD1 3.46Å; R438-I442 WeakPolarHBondContact O-CG1 3.35Å; R438-I442 PolarHBondContact O-N 2.82Å |
| 439 | T | 62.4 | Low | 62.7 | Low | 25 Ų | 25 | 72.4 Ų | 72.4 | 15% | 0.153 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 174.1 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | L183 A184 K435 L436 I442 R443 | L183-T439 HydrophobicContact CB-CG2 3.99Å; L183-T439 HydrophobicContact CD2-CG2 4.21Å; L183-T439 HydrophobicContact CG-CG2 4.46Å; A184-T439 PolarHBondContact N-OG1 2.93Å; A184-T439 VanDerWaalsContact N-OG1 3.12Å; K435-T439 WeakPolarHBondContact O-CB 3.3Å; K435-T439 PolarHBondContact O-N 2.85Å; K435-T439 PolarHBondContact O-OG1 2.84Å; L436-T439 CarbonylContact O-C 3.42Å; L436-T439 WeakPolarHBondContact O-CA 3.34Å; L436-T439 WeakPolarHBondContact O-CB 3.4Å; L436-T439 PolarHBondContact O-N 2.8Å; T439-I442 PolarHBondContact O-N 2.9Å; T439-R443 VanDerWaalsContact O-CB 3.28Å; T439-R443 WeakPolarHBondContact O-CB 3.49Å; T439-R443 PolarHBondContact O-N 2.82Å |
| 440 | E | 67.5 | Low | 62.3 | Low | 111 Ų | 111 | 72.4 Ų | 72.4 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 171.9 | -69.1 | 177.7 | 149.8 | 0 | 0 | 112.3 | L436 R443 A444 | L436-E440 WeakPolarHBondContact O-CG 3.37Å; L436-E440 PolarHBondContact O-N 2.97Å; E440-R443 WeakPolarHBondContact O-CB 3.48Å; E440-R443 PolarHBondContact O-N 2.79Å; E440-A444 WeakPolarHBondContact O-CB 3.26Å; E440-A444 PolarHBondContact O-N 3.07Å |
| 441 | F | 69.5 | Low | 62 | Low | 139 Ų | 139 | 75.9 Ų | 75.9 | 61% | 0.61 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.3 | -44.9 | 176.2 | 175.6 | -98.7 | 0 | 0 | 0 | 111.8 | K437 R438 R443 A444 V445 | K437-F441 WeakPolarHBondContact O-CB 3.38Å; K437-F441 PolarHBondContact O-N 3.42Å; R438-F441 PolarHBondContact O-N 2.83Å; F441-R443 VanDerWaalsContact C-N 3.3Å; F441-R443 PolarHBondContact O-N 2.8Å; F441-A444 PolarHBondContact O-N 2.7Å; F441-V445 HydrophobicContact CD1-CG2 4.21Å; F441-V445 HydrophobicContact CD2-CG2 4.32Å; F441-V445 HydrophobicContact CE1-CG2 3.77Å; F441-V445 HydrophobicContact CE2-CG2 3.89Å; F441-V445 HydrophobicContact CG-CG2 4.47Å; F441-V445 HydrophobicContact CZ-CG2 3.6Å; F441-V445 WeakPolarHBondContact O-CB 3.25Å; F441-V445 VanDerWaalsContact O-CG2 3.3Å; F441-V445 WeakPolarHBondContact O-CG2 3.44Å; F441-V445 PolarHBondContact O-N 3.22Å |
| 442 | I | 62.2 | Low | 61.5 | Low | 38 Ų | 38 | 80.2 Ų | 80.2 | 20% | 0.195 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 175.2 | -74.6 | 168.7 | 0 | 0 | 0 | 110.3 | L183 R438 T439 V445 R446 | L183-I442 HydrophobicContact CD2-CD1 3.92Å; L183-I442 HydrophobicContact CD2-CG2 4.35Å; R438-I442 HydrophobicContact CG-CD1 3.95Å; R438-I442 VanDerWaalsContact O-CB 3.28Å; R438-I442 WeakPolarHBondContact O-CB 3.07Å; R438-I442 WeakPolarHBondContact O-CD1 3.46Å; R438-I442 WeakPolarHBondContact O-CG1 3.35Å; R438-I442 PolarHBondContact O-N 2.82Å; T439-I442 PolarHBondContact O-N 2.9Å; I442-V445 PolarHBondContact O-N 2.94Å; I442-R446 VanDerWaalsContact CG2-CZ 3.44Å; I442-R446 VanDerWaalsContact O-CG 3.3Å; I442-R446 WeakPolarHBondContact O-CG 3.32Å; I442-R446 PolarHBondContact O-N 3.01Å |
| 443 | R | 64.9 | Low | 60.4 | Low | 133 Ų | 133 | 82.9 Ų | 82.9 | 50% | 0.502 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.9 | -49.5 | 172.8 | 176.3 | -179.4 | 169.7 | 172.4 | -0.2 | 111.7 | T439 E440 F441 V445 R446 E447 | T439-R443 VanDerWaalsContact O-CB 3.28Å; T439-R443 WeakPolarHBondContact O-CB 3.49Å; T439-R443 PolarHBondContact O-N 2.82Å; E440-R443 WeakPolarHBondContact O-CB 3.48Å; E440-R443 PolarHBondContact O-N 2.79Å; F441-R443 VanDerWaalsContact C-N 3.3Å; F441-R443 PolarHBondContact O-N 2.8Å; R443-V445 VanDerWaalsContact C-N 3.33Å; R443-V445 PolarHBondContact O-N 2.77Å; R443-R446 PolarHBondContact O-N 3.42Å; R443-E447 HydrophobicContact CG-CG 4.4Å; R443-E447 WeakPolarHBondContact CG-OE1 3.41Å; R443-E447 IonicContact CZ-OE1 3.15Å; R443-E447 IonicContact NE-OE1 2.74Å; R443-E447 PolarHBondContact NE-OE1 2.97Å; R443-E447 IonicContact NH2-OE1 3.31Å; R443-E447 PolarHBondContact NH2-OE1 3.32Å; R443-E447 WeakPolarHBondContact O-CB 3.31Å; R443-E447 WeakPolarHBondContact O-CG 3.45Å; R443-E447 PolarHBondContact O-N 3.12Å |
| 444 | A | 66.9 | Low | 59 | Low | 52 Ų | 52 | 77.8 Ų | 77.8 | 43% | 0.43 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.5 | -36.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E440 F441 S448 | E440-A444 WeakPolarHBondContact O-CB 3.26Å; E440-A444 PolarHBondContact O-N 3.07Å; F441-A444 PolarHBondContact O-N 2.7Å; A444-S448 WeakPolarHBondContact O-CB 3.44Å; A444-S448 PolarHBondContact O-N 2.69Å |
| 445 | V | 64 | Low | 57.7 | Low | 35 Ų | 35 | 75.3 Ų | 75.3 | 21% | 0.212 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.9 | -44.8 | 172.5 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | F441 I442 R443 S448 E449 | F441-V445 HydrophobicContact CD1-CG2 4.21Å; F441-V445 HydrophobicContact CD2-CG2 4.32Å; F441-V445 HydrophobicContact CE1-CG2 3.77Å; F441-V445 HydrophobicContact CE2-CG2 3.89Å; F441-V445 HydrophobicContact CG-CG2 4.47Å; F441-V445 HydrophobicContact CZ-CG2 3.6Å; F441-V445 WeakPolarHBondContact O-CB 3.25Å; F441-V445 VanDerWaalsContact O-CG2 3.3Å; F441-V445 WeakPolarHBondContact O-CG2 3.44Å; F441-V445 PolarHBondContact O-N 3.22Å; I442-V445 PolarHBondContact O-N 2.94Å; R443-V445 VanDerWaalsContact C-N 3.33Å; R443-V445 PolarHBondContact O-N 2.77Å; V445-S448 CarbonylContact O-C 3.6Å; V445-S448 PolarHBondContact O-N 2.84Å; V445-S448 VanDerWaalsContact O-N 3.12Å; V445-E449 HydrophobicContact CG1-CG 4.35Å; V445-E449 WeakPolarHBondContact O-CG 3.34Å; V445-E449 PolarHBondContact O-N 2.92Å |
| 446 | R | 55 | Low | 56.9 | Low | 17 Ų | 17 | 75.4 Ų | 75.4 | 6% | 0.064 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 173.8 | -72 | 175.3 | -162.1 | 167.9 | 7.7 | 111.8 | L157 P159 E197 I442 R443 S448 E449 L450 | L157-R446 PolarHBondContact O-NE 3.32Å; L157-R446 PolarHBondContact O-NH1 3.05Å; L157-R446 PolarHBondContact O-NH2 3.06Å; P159-R446 HydrophobicContact CG-CG 4.28Å; E197-R446 IonicContact OE2-CZ 3.28Å; E197-R446 IonicContact OE2-NE 3.49Å; E197-R446 IonicContact OE2-NH1 3.11Å; E197-R446 PolarHBondContact OE2-NH1 2.87Å; I442-R446 VanDerWaalsContact CG2-CZ 3.44Å; I442-R446 VanDerWaalsContact O-CG 3.3Å; I442-R446 WeakPolarHBondContact O-CG 3.32Å; I442-R446 PolarHBondContact O-N 3.01Å; R443-R446 PolarHBondContact O-N 3.42Å; R446-S448 PolarHBondContact O-N 3.47Å; R446-E449 PolarHBondContact O-N 2.8Å; R446-L450 VanDerWaalsContact O-CB 3.24Å; R446-L450 WeakPolarHBondContact O-CB 3.34Å; R446-L450 WeakPolarHBondContact O-CG 3.33Å; R446-L450 PolarHBondContact O-N 3.28Å |
| 447 | E | 60.2 | Low | 55.6 | Low | 58 Ų | 58 | 76.7 Ų | 76.7 | 27% | 0.271 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61 | -26.8 | 174.7 | -73.8 | -179.9 | -166 | 0 | 0 | 112.3 | R443 R451 | R443-E447 HydrophobicContact CG-CG 4.4Å; R443-E447 WeakPolarHBondContact CG-OE1 3.41Å; R443-E447 IonicContact CZ-OE1 3.15Å; R443-E447 IonicContact NE-OE1 2.74Å; R443-E447 PolarHBondContact NE-OE1 2.97Å; R443-E447 IonicContact NH2-OE1 3.31Å; R443-E447 PolarHBondContact NH2-OE1 3.32Å; R443-E447 WeakPolarHBondContact O-CB 3.31Å; R443-E447 WeakPolarHBondContact O-CG 3.45Å; R443-E447 PolarHBondContact O-N 3.12Å; E447-R451 WeakPolarHBondContact O-CB 3.42Å; E447-R451 PolarHBondContact O-N 3.01Å |
| 448 | S | 58.8 | Low | 54.5 | Low | 43 Ų | 43 | 73 Ų | 73 | 30% | 0.301 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -82.6 | -41.5 | 173.2 | -156.4 | 0 | 0 | 0 | 0 | 113.1 | A444 V445 R446 R451 E452 | A444-S448 WeakPolarHBondContact O-CB 3.44Å; A444-S448 PolarHBondContact O-N 2.69Å; V445-S448 CarbonylContact O-C 3.6Å; V445-S448 PolarHBondContact O-N 2.84Å; V445-S448 VanDerWaalsContact O-N 3.12Å; R446-S448 PolarHBondContact O-N 3.47Å; S448-R451 CarbonylContact O-C 3.47Å; S448-R451 WeakPolarHBondContact O-CB 3.41Å; S448-R451 PolarHBondContact O-N 3.1Å; S448-E452 WeakPolarHBondContact O-CG 3.17Å; S448-E452 PolarHBondContact O-N 3.3Å |
| 449 | E | 51 | Low | 53.6 | Low | 53 Ų | 53 | 76.6 Ų | 76.6 | 25% | 0.248 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.3 | -38.2 | 178 | -74.2 | -177 | 128.8 | 0 | 0 | 111.9 | K160 V445 R446 E452 M453 | K160-E449 WeakPolarHBondContact CE-OE2 3.47Å; K160-E449 IonicContact NZ-OE1 4Å; K160-E449 PolarHBondContact NZ-OE1 3.02Å; K160-E449 IonicContact NZ-OE2 3.97Å; K160-E449 PolarHBondContact NZ-OE2 2.94Å; V445-E449 HydrophobicContact CG1-CG 4.35Å; V445-E449 WeakPolarHBondContact O-CG 3.34Å; V445-E449 PolarHBondContact O-N 2.92Å; R446-E449 PolarHBondContact O-N 2.8Å; E449-E452 PolarHBondContact O-N 3.1Å; E449-M453 HydrophobicContact CB-CE 4.09Å; E449-M453 WeakPolarHBondContact O-CB 3.27Å; E449-M453 VanDerWaalsContact O-CE 3.31Å; E449-M453 WeakPolarHBondContact O-CE 3.33Å; E449-M453 WeakPolarHBondContact O-CG 3.32Å; E449-M453 PolarHBondContact O-N 3.41Å |
| 450 | L | 50.3 | Low | 52.8 | Low | 57 Ų | 57 | 81.4 Ų | 81.4 | 30% | 0.298 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.5 | -49.9 | 167.5 | -70.6 | 168.9 | 0 | 0 | 0 | 109.5 | R446 E452 M453 G454 V455 | R446-L450 VanDerWaalsContact O-CB 3.24Å; R446-L450 WeakPolarHBondContact O-CB 3.34Å; R446-L450 WeakPolarHBondContact O-CG 3.33Å; R446-L450 PolarHBondContact O-N 3.28Å; L450-E452 VanDerWaalsContact C-N 3.32Å; L450-E452 PolarHBondContact O-N 3.02Å; L450-M453 CarbonylContact O-C 3.57Å; L450-M453 PolarHBondContact O-N 3.48Å; L450-M453 VanDerWaalsContact O-N 3.13Å; L450-G454 PolarHBondContact O-N 3.32Å; L450-G454 VanDerWaalsContact O-N 3.11Å; L450-V455 CarbonylContact C-O 3.56Å; L450-V455 HydrophobicContact CB-CB 4.13Å; L450-V455 HydrophobicContact CB-CG1 4.46Å; L450-V455 WeakPolarHBondContact CB-O 3.24Å; L450-V455 HydrophobicContact CD2-CB 4.18Å; L450-V455 HydrophobicContact CD2-CG1 4.1Å; L450-V455 WeakPolarHBondContact O-CA 3.25Å; L450-V455 WeakPolarHBondContact O-CB 3.32Å; L450-V455 PolarHBondContact O-N 3.31Å |
| 451 | R | 53.3 | Low | 51.6 | Low | 121 Ų | 121 | 78.3 Ų | 78.3 | 46% | 0.457 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60 | -35.7 | 178 | -177.2 | -175.2 | -60.3 | 125.7 | 4.1 | 113.4 | E447 S448 G454 V455 F467 | E447-R451 WeakPolarHBondContact O-CB 3.42Å; E447-R451 PolarHBondContact O-N 3.01Å; S448-R451 CarbonylContact O-C 3.47Å; S448-R451 WeakPolarHBondContact O-CB 3.41Å; S448-R451 PolarHBondContact O-N 3.1Å; R451-G454 PolarHBondContact O-N 3.43Å; R451-V455 PolarHBondContact N-O 3.04Å; R451-F467 HydrophobicContact CG-CD2 4.43Å; R451-F467 HydrophobicContact CG-CE2 3.99Å |
| 452 | E | 49.1 | Very low | 50.1 | Low | 159 Ų | 159 | 80.1 Ų | 80.1 | 74% | 0.743 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -72.3 | -38.3 | 174 | -77.1 | 175.4 | -166.4 | 0 | 0 | 112.6 | S448 E449 L450 G454 | S448-E452 WeakPolarHBondContact O-CG 3.17Å; S448-E452 PolarHBondContact O-N 3.3Å; E449-E452 PolarHBondContact O-N 3.1Å; L450-E452 VanDerWaalsContact C-N 3.32Å; L450-E452 PolarHBondContact O-N 3.02Å; E452-G454 PolarHBondContact O-N 2.96Å |
| 453 | M | 38.1 | Very low | 49.1 | Very low | 139 Ų | 139 | 81.8 Ų | 81.8 | 69% | 0.685 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 5.5 | 170.3 | -71.9 | -175.5 | -86.4 | 0 | 0 | 113.5 | E449 L450 | E449-M453 HydrophobicContact CB-CE 4.09Å; E449-M453 WeakPolarHBondContact O-CB 3.27Å; E449-M453 VanDerWaalsContact O-CE 3.31Å; E449-M453 WeakPolarHBondContact O-CE 3.33Å; E449-M453 WeakPolarHBondContact O-CG 3.32Å; E449-M453 PolarHBondContact O-N 3.41Å; L450-M453 CarbonylContact O-C 3.57Å; L450-M453 PolarHBondContact O-N 3.48Å; L450-M453 VanDerWaalsContact O-N 3.13Å |
| 454 | G | 36.4 | Very low | 47.8 | Very low | 17 Ų | 17 | 81.2 Ų | 81.2 | 18% | 0.175 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 22 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L450 R451 E452 V466 | L450-G454 PolarHBondContact O-N 3.32Å; L450-G454 VanDerWaalsContact O-N 3.11Å; R451-G454 PolarHBondContact O-N 3.43Å; E452-G454 PolarHBondContact O-N 2.96Å; G454-V466 VanDerWaalsContact O-CA 3.25Å; G454-V466 WeakPolarHBondContact O-CA 3.38Å; G454-V466 WeakPolarHBondContact O-CG2 3.35Å |
| 455 | V | 38.6 | Very low | 46.6 | Very low | 44 Ų | 44 | 80.1 Ų | 80.1 | 27% | 0.267 | 44% | 0.436 | S | S | . | . | trans | -115 | 102.2 | -178.3 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | L450 R451 L464 | L450-V455 CarbonylContact C-O 3.56Å; L450-V455 HydrophobicContact CB-CB 4.13Å; L450-V455 HydrophobicContact CB-CG1 4.46Å; L450-V455 WeakPolarHBondContact CB-O 3.24Å; L450-V455 HydrophobicContact CD2-CB 4.18Å; L450-V455 HydrophobicContact CD2-CG1 4.1Å; L450-V455 WeakPolarHBondContact O-CA 3.25Å; L450-V455 WeakPolarHBondContact O-CB 3.32Å; L450-V455 PolarHBondContact O-N 3.31Å; R451-V455 PolarHBondContact N-O 3.04Å; V455-L464 HydrophobicContact CG1-CD2 3.49Å; V455-L464 VanDerWaalsContact CG1-CD2 3.49Å | ||
| 456 | A | 44 | Very low | 45.3 | Very low | 45 Ų | 45 | 83.4 Ų | 83.4 | 37% | 0.372 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 139.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | G465 | A456-G465 WeakPolarHBondContact CB-O 3.46Å; A456-G465 PolarHBondContact N-O 2.92Å; A456-G465 PolarHBondContact O-N 2.98Å |
| 457 | M | 42 | Very low | 44.3 | Very low | 82 Ų | 82 | 88.9 Ų | 88.9 | 40% | 0.404 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 132.4 | 160.6 | -59.9 | -145.9 | -62.8 | 0 | 0 | 108.9 | ||
| 458 | G | 46.8 | Very low | 43.2 | Very low | 31 Ų | 31 | 93.6 Ų | 93.6 | 32% | 0.32 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 162 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D460 G461 T463 | G458-D460 PolarHBondContact O-N 3.31Å; G458-D460 VanDerWaalsContact O-N 3.14Å; G458-G461 PolarHBondContact O-N 2.72Å; G458-T463 PolarHBondContact N-O 3.36Å |
| 459 | E | 44.8 | Very low | 42 | Very low | 209 Ų | 209 | 96.9 Ų | 96.9 | 98% | 0.977 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23 | 177.6 | -61.3 | -176.9 | 154 | 0 | 0 | 112.1 | G461 | E459-G461 VanDerWaalsContact C-N 3.33Å; E459-G461 PolarHBondContact O-N 3.05Å |
| 460 | D | 46.2 | Very low | 40.9 | Very low | 126 Ų | 126 | 104.5 Ų | 104.5 | 67% | 0.674 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -7.5 | 177.5 | -29.5 | -67.9 | 0 | 0 | 0 | 114.1 | G458 Q462 | G458-D460 PolarHBondContact O-N 3.31Å; G458-D460 VanDerWaalsContact O-N 3.14Å; D460-Q462 PolarHBondContact O-N 3.38Å |
| 461 | G | 40.9 | Very low | 40 | Very low | 47 Ų | 47 | 111.6 Ų | 111.6 | 49% | 0.485 | 58% | 0.584 | S | S | . | * | S | Bend | trans | 69.9 | -11.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | G458 E459 | G458-G461 PolarHBondContact O-N 2.72Å; E459-G461 VanDerWaalsContact C-N 3.33Å; E459-G461 PolarHBondContact O-N 3.05Å |
| 462 | Q | 38.8 | Very low | 38.8 | Very low | 177 Ų | 177 | 112.9 Ų | 112.9 | 83% | 0.827 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -96.3 | -19.5 | -171.6 | -66.9 | 179.3 | 12.9 | 0 | 0 | 115 | D460 | D460-Q462 PolarHBondContact O-N 3.38Š|
| 463 | T | 40.2 | Very low | 37.9 | Very low | 73 Ų | 73 | 109.8 Ų | 109.8 | 45% | 0.448 | 61% | 0.606 | S | S | . | * | trans | -111.7 | 125.6 | -168.4 | -47.8 | 0 | 0 | 0 | 0 | 112.3 | G458 | G458-T463 PolarHBondContact N-O 3.36Š| ||
| 464 | L | 37.6 | Very low | 37.4 | Very low | 120 Ų | 120 | 114.1 Ų | 114.1 | 63% | 0.628 | 62% | 0.617 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.4 | 132.4 | 172 | -67.3 | 161.6 | 0 | 0 | 0 | 109.7 | V455 | V455-L464 HydrophobicContact CG1-CD2 3.49Å; V455-L464 VanDerWaalsContact CG1-CD2 3.49Å |
| 465 | G | 42.1 | Very low | 37 | Very low | 29 Ų | 29 | 122 Ų | 122 | 30% | 0.299 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -162.9 | 156.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116 | A456 | A456-G465 WeakPolarHBondContact CB-O 3.46Å; A456-G465 PolarHBondContact N-O 2.92Å; A456-G465 PolarHBondContact O-N 2.98Å |
| 466 | V | 37.7 | Very low | 36.8 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 63% | 0.63 | 68% | 0.678 | S | S | * | * | trans | -91.3 | 110.1 | -173.1 | -168.4 | 0 | 0 | 0 | 0 | 112.8 | G454 | G454-V466 VanDerWaalsContact O-CA 3.25Å; G454-V466 WeakPolarHBondContact O-CA 3.38Å; G454-V466 WeakPolarHBondContact O-CG2 3.35Å | ||
| 467 | F | 33.1 | Very low | 36.2 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 58% | 0.579 | 69% | 0.692 | S | S | * | * | trans | 33 | 92.8 | 157.7 | -141.4 | -72.2 | 0 | 0 | 0 | 118.1 | R451 | R451-F467 HydrophobicContact CG-CD2 4.43Å; R451-F467 HydrophobicContact CG-CE2 3.99Å | ||
| 468 | Q | 36.7 | Very low | 35.7 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 128.8 | 164.4 | -72.6 | -171.3 | -1.5 | 0 | 0 | 111.9 | ||
| 469 | P | 33.8 | Very low | 35.1 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 126.5 | 167.4 | -14.1 | 29.7 | 0 | 0 | 0 | 110.9 | K471 | P469-K471 PolarHBondContact O-N 2.83Š|
| 470 | K | 29.3 | Very low | 34.4 | Very low | 213 Ų | 213 | 138.4 Ų | 138.4 | 93% | 0.926 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 124.4 | 179.5 | -67.5 | -175.3 | 176.8 | -175.5 | 0 | 111.6 | ||
| 471 | K | 30.4 | Very low | 33.6 | Very low | 206 Ų | 206 | 139 Ų | 139 | 90% | 0.896 | 73% | 0.732 | S | S | * | * | trans | -111.5 | 125.8 | 159.9 | -93.4 | -170.9 | 174.1 | -178.5 | 0 | 110.5 | P469 | P469-K471 PolarHBondContact O-N 2.83Š| ||
| 472 | V | 27.2 | Very low | 33.1 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 89% | 0.891 | 75% | 0.747 | S | S | * | * | trans | -63.9 | 131.8 | 173.6 | -84.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 473 | A | 30.9 | Very low | 32.8 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | -159.2 | 148.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 474 | Y | 28.6 | Very low | 32.6 | Very low | 230 Ų | 230 | 140.2 Ų | 140.2 | 90% | 0.902 | 74% | 0.74 | S | S | * | * | trans | -72 | 165.2 | -166.2 | -69.4 | -98.3 | 0 | 0 | 0 | 116.2 | ||||
| 475 | H | 27.5 | Very low | 32.6 | Very low | 182 Ų | 182 | 139.8 Ų | 139.8 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | trans | -56 | 138.2 | 170.1 | -64.8 | -44.1 | 0 | 0 | 0 | 113.5 | ||||
| 476 | F | 33.7 | Very low | 32.9 | Very low | 202 Ų | 202 | 142.6 Ų | 142.6 | 89% | 0.886 | 75% | 0.749 | S | S | * | * | trans | -145 | 145.5 | 131.3 | -91.9 | -81 | 0 | 0 | 0 | 108.2 | ||||
| 477 | P | 32.7 | Very low | 33.7 | Very low | 101 Ų | 101 | 143.4 Ų | 143.4 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | trans | -79.9 | 171.1 | 173.5 | 34.2 | -35 | 0 | 0 | 0 | 112.2 | ||||
| 478 | D | 30.3 | Very low | 35.3 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | trans | 71.7 | 147.1 | 174.4 | -53.4 | -31.6 | 0 | 0 | 0 | 117.6 | ||||
| 479 | T | 34 | Very low | 37.4 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 80% | 0.798 | 71% | 0.706 | S | S | * | * | trans | 82.2 | 72.2 | 176.7 | -35.5 | 0 | 0 | 0 | 0 | 118.2 | L481 | T479-L481 PolarHBondContact O-N 3.16Š| ||
| 480 | L | 30 | Very low | 39.6 | Very low | 171 Ų | 171 | 131.1 Ų | 131.1 | 90% | 0.895 | 68% | 0.677 | S | S | * | * | 31.5 | 66.7 | 123.3 | -163 | 100 | 0 | 0 | 0 | 118.5 | |||||
| 481 | L | 30.1 | Very low | 42.4 | Very low | 139 Ų | 139 | 121.2 Ų | 121.2 | 73% | 0.728 | 63% | 0.634 | S | S | * | * | trans | -157.6 | 127.1 | 163.5 | -149.4 | 82 | 0 | 0 | 0 | 113.2 | T479 | T479-L481 PolarHBondContact O-N 3.16Š| ||
| 482 | I | 30.1 | Very low | 44.9 | Very low | 154 Ų | 154 | 111.6 Ų | 111.6 | 79% | 0.79 | 59% | 0.593 | S | S | * | * | trans | -163.2 | 81.5 | 142.6 | -94.5 | 144.8 | 0 | 0 | 0 | 107.4 | ||||
| 483 | C | 31.9 | Very low | 47.6 | Very low | 104 Ų | 104 | 105.2 Ų | 105.2 | 70% | 0.703 | 55% | 0.553 | S | S | * | * | trans | -107.7 | 50.7 | 165.7 | -162.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 484 | C | 37.8 | Very low | 49.7 | Very low | 63 Ų | 63 | 101.4 Ų | 101.4 | 43% | 0.426 | 52% | 0.52 | S | S | . | . | trans | -105.3 | -6.5 | -158.6 | -65 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 485 | L | 36.5 | Very low | 51.4 | Low | 112 Ų | 112 | 93.2 Ų | 93.2 | 59% | 0.586 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -84.7 | -15.6 | -176.1 | -64.2 | 173.9 | 0 | 0 | 0 | 113.9 | K487 | L485-K487 PolarHBondContact O-N 2.73Š|
| 486 | V | 48.3 | Very low | 52.9 | Low | 87 Ų | 87 | 90.9 Ų | 90.9 | 53% | 0.527 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 45.3 | -169.8 | -158.3 | 0 | 0 | 0 | 0 | 112.4 | P589 M593 | V486-P589 HydrophobicContact CG1-CB 4.29Å; V486-P589 VanDerWaalsContact O-CB 3.3Å; V486-P589 WeakPolarHBondContact O-CB 3.33Å; V486-M593 VanDerWaalsContact O-CE 3.3Å; V486-M593 WeakPolarHBondContact O-CE 3.46Å |
| 487 | K | 55.7 | Low | 53.3 | Low | 121 Ų | 121 | 82.5 Ų | 82.5 | 53% | 0.526 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -13 | -172.2 | -73.5 | -165.4 | 173.4 | -171.9 | 0 | 117.1 | L485 Q590 | L485-K487 PolarHBondContact O-N 2.73Å; K487-Q590 PolarHBondContact O-NE2 2.66Å |
| 488 | F | 65.6 | Low | 54.4 | Low | 116 Ų | 116 | 82.5 Ų | 82.5 | 51% | 0.509 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -106.5 | 139.3 | -174.1 | -60.8 | -74.5 | 0 | 0 | 0 | 112.7 | H490 Y507 P589 | F488-H490 PolarHBondContact O-ND1 3.19Å; F488-Y507 HydrophobicContact CB-CD1 4.2Å; F488-P589 VanDerWaalsContact O-CD 3.3Å; F488-P589 WeakPolarHBondContact O-CD 3.37Å; F488-P589 WeakPolarHBondContact O-CG 3.21Å |
| 489 | A | 80.3 | Confident | 55 | Low | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 44% | 0.443 | C | S | . | . | trans | -66.9 | 144.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I508 V547 F586 N587 N588 | A489-I508 PolarHBondContact O-N 2.99Å; A489-V547 HydrophobicContact CB-CG2 3.97Å; A489-F586 HydrophobicContact CB-CE2 3.82Å; A489-F586 HydrophobicContact CB-CZ 3.89Å; A489-N587 WeakPolarHBondContact CA-O 3.37Å; A489-N588 HydrophobicContact CB-CB 4.46Å | ||
| 490 | H | 81.6 | Confident | 55.8 | Low | 29 Ų | 29 | 80.8 Ų | 80.8 | 13% | 0.134 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 153.9 | -171.1 | 54 | -82.6 | 0 | 0 | 0 | 113.3 | F488 L505 Y506 Y507 N587 | F488-H490 PolarHBondContact O-ND1 3.19Å; H490-L505 HydrophobicContact CB-CD2 3.88Å; H490-L505 HydrophobicContact CB-CG 4.25Å; H490-Y506 CarbonylContact C-O 3.58Å; H490-Y506 WeakPolarHBondContact CA-O 3.24Å; H490-Y506 WeakPolarHBondContact CB-O 3.38Å; H490-Y507 HydrophobicContact CB-CD1 4.22Å; H490-N587 PolarHBondContact N-O 3.02Å; H490-N587 WeakPolarHBondContact NE2-CB 2.86Å; H490-N587 PolarHBondContact O-N 2.88Å |
| 491 | L | 86.9 | Confident | 57.1 | Low | 4 Ų | 4 | 73.7 Ų | 73.7 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 145.8 | 166.1 | -61.2 | 178.8 | 0 | 0 | 0 | 110.4 | L505 Y506 I508 I526 L540 I576 F584 F586 | L491-L505 CarbonylContact O-C 3.55Å; L491-L505 VanDerWaalsContact O-CA 3.29Å; L491-L505 WeakPolarHBondContact O-CA 3.48Å; L491-Y506 PolarHBondContact N-O 2.89Å; L491-Y506 PolarHBondContact O-N 2.77Å; L491-I508 HydrophobicContact CD2-CD1 4.47Å; L491-I508 HydrophobicContact CG-CD1 4.16Å; L491-I526 HydrophobicContact CD1-CD1 4.1Å; L491-L540 HydrophobicContact CD1-CD1 3.81Å; L491-I576 HydrophobicContact CD2-CD1 3.63Å; L491-F584 HydrophobicContact CB-CB 4.47Å; L491-F584 HydrophobicContact CB-CD1 4.39Å; L491-F584 HydrophobicContact CD2-CB 4.49Å; L491-F586 HydrophobicContact CD2-CB 3.84Å; L491-F586 HydrophobicContact CD2-CD2 3.96Å; L491-F586 HydrophobicContact CD2-CG 4.39Å |
| 492 | V | 83 | Confident | 58.9 | Low | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.03 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 127 | -179.1 | -177.1 | 0 | 0 | 0 | 0 | 107.5 | E502 L504 F584 R585 | V492-E502 VanDerWaalsContact CG1-CA 3.45Å; V492-E502 HydrophobicContact CG1-CB 3.47Å; V492-E502 VanDerWaalsContact CG1-CB 3.47Å; V492-E502 HydrophobicContact CG1-CG 3.47Å; V492-E502 VanDerWaalsContact CG1-CG 3.47Å; V492-L504 WeakPolarHBondContact CA-O 3.23Å; V492-F584 CarbonylContact O-C 3.53Å; V492-F584 WeakPolarHBondContact O-CA 3.47Å; V492-R585 HydrophobicContact CB-CB 4.5Å; V492-R585 WeakPolarHBondContact CB-O 3.4Å; V492-R585 PolarHBondContact N-O 2.76Å; V492-R585 PolarHBondContact O-N 2.73Å |
| 493 | N | 83.9 | Confident | 60.2 | Low | 12 Ų | 12 | 68.9 Ų | 68.9 | 6% | 0.064 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 149.1 | -179.8 | 72.9 | -55.2 | 0 | 0 | 0 | 112.9 | I500 E502 C503 L504 F584 | N493-I500 PolarHBondContact ND2-O 3.38Å; N493-E502 PolarHBondContact O-N 2.69Å; N493-E502 PolarHBondContact OD1-N 3.33Å; N493-C503 PolarHBondContact OD1-N 3.06Å; N493-C503 VanDerWaalsContact OD1-N 3.13Å; N493-L504 HydrophobicContact CB-CB 4Å; N493-L504 HydrophobicContact CB-CD1 4.4Å; N493-L504 PolarHBondContact N-O 3.08Å; N493-L504 PolarHBondContact OD1-N 3.49Å; N493-L504 PolarHBondContact OD1-O 2.98Å; N493-F584 HydrophobicContact CB-CD1 4.06Å; N493-F584 HydrophobicContact CB-CE1 4.05Å |
| 494 | L | 74.9 | Confident | 61.8 | Low | 15 Ų | 15 | 68.2 Ų | 68.2 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 140.3 | 167.8 | -54.7 | -177.7 | 0 | 0 | 0 | 109 | R575 V583 R585 | L494-R575 HydrophobicContact CD1-CG 4.2Å; L494-V583 HydrophobicContact CB-CB 4.16Å; L494-V583 HydrophobicContact CB-CG1 3.95Å; L494-V583 HydrophobicContact CD1-CG1 4.02Å; L494-V583 HydrophobicContact CG-CG1 4.37Å; L494-V583 PolarHBondContact N-O 3.36Å; L494-R585 HydrophobicContact CD1-CB 4.19Å; L494-R585 HydrophobicContact CD2-CB 4.03Å; L494-R585 VanDerWaalsContact CD2-CZ 3.49Å; L494-R585 HydrophobicContact CG-CB 4.2Å |
| 495 | N | 65.8 | Low | 63.4 | Low | 59 Ų | 59 | 68.5 Ų | 68.5 | 32% | 0.316 | 35% | 0.353 | S | S | . | . | trans | -143.4 | 161.2 | -178.6 | -165.3 | 17.1 | 0 | 0 | 0 | 110.7 | D497 I500 S501 W609 | N495-D497 PolarHBondContact O-N 3.39Å; N495-I500 HydrophobicContact CB-CB 4.39Å; N495-I500 HydrophobicContact CB-CG2 4.2Å; N495-I500 WeakPolarHBondContact ND2-CB 3.31Å; N495-I500 WeakPolarHBondContact ND2-CG2 3.27Å; N495-S501 PolarHBondContact N-OG 2.87Å; N495-S501 PolarHBondContact O-OG 3.37Å; N495-S501 VanDerWaalsContact O-OG 3.13Å; N495-W609 WeakPolarHBondContact O-CB 3.39Å | ||
| 496 | E | 57.4 | Low | 65.4 | Low | 133 Ų | 133 | 66 Ų | 66 | 62% | 0.621 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -57.8 | -32.1 | 176.6 | -175.5 | 167 | -162 | 0 | 0 | 112 | P498 W609 | E496-P498 WeakPolarHBondContact O-CD 3.5Å; E496-W609 HydrophobicContact CB-CD2 3.82Å; E496-W609 HydrophobicContact CB-CE3 4.11Å; E496-W609 HydrophobicContact CB-CG 4.29Å; E496-W609 HydrophobicContact CB-CH2 4.05Å; E496-W609 HydrophobicContact CB-CZ2 3.79Å; E496-W609 HydrophobicContact CB-CZ3 4.23Å; E496-W609 HydrophobicContact CG-CD2 4.1Å; E496-W609 HydrophobicContact CG-CE3 3.85Å; E496-W609 HydrophobicContact CG-CH2 3.62Å; E496-W609 HydrophobicContact CG-CZ2 3.91Å; E496-W609 HydrophobicContact CG-CZ3 3.62Å; E496-W609 VanDerWaalsContact OE1-CH2 3.31Å; E496-W609 WeakPolarHBondContact OE1-CH2 3.45Å |
| 497 | D | 43.4 | Very low | 66.9 | Low | 26 Ų | 26 | 67.2 Ų | 67.2 | 14% | 0.139 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -87.8 | 120.7 | 167.5 | 174.6 | 26 | 0 | 0 | 0 | 111.7 | N495 F499 I500 S501 | N495-D497 PolarHBondContact O-N 3.39Å; D497-F499 PolarHBondContact O-N 3.46Å; D497-F499 WeakPolarHBondContact OD1-CB 3.31Å; D497-F499 WeakPolarHBondContact OD1-CD2 3.49Å; D497-F499 PolarHBondContact OD1-N 3.31Å; D497-F499 WeakPolarHBondContact OD2-CB 3.42Å; D497-I500 HydrophobicContact CB-CB 4.38Å; D497-I500 HydrophobicContact CB-CD1 4.21Å; D497-I500 PolarHBondContact O-N 3.28Å; D497-I500 WeakPolarHBondContact OD2-CD1 3.02Å; D497-I500 VanDerWaalsContact OD2-CG1 3.23Å; D497-I500 WeakPolarHBondContact OD2-CG1 3.49Å; D497-I500 PolarHBondContact OD2-N 3.08Å; D497-I500 VanDerWaalsContact OD2-N 3.16Å; D497-S501 PolarHBondContact O-N 3.05Å; D497-S501 PolarHBondContact O-OG 3.44Å; D497-S501 VanDerWaalsContact O-OG 3.14Å |
| 498 | P | 54.1 | Low | 68.2 | Low | 101 Ų | 101 | 61.5 Ų | 61.5 | 66% | 0.656 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -22.4 | 170.9 | -24.1 | 35.4 | 0 | 0 | 0 | 114.8 | E496 | E496-P498 WeakPolarHBondContact O-CD 3.5Š|
| 499 | F | 43.8 | Very low | 68.7 | Low | 173 Ų | 173 | 63.5 Ų | 63.5 | 76% | 0.759 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -15.8 | 177.9 | -64.1 | -79.4 | 0 | 0 | 0 | 114.1 | D497 C503 | D497-F499 PolarHBondContact O-N 3.46Å; D497-F499 WeakPolarHBondContact OD1-CB 3.31Å; D497-F499 WeakPolarHBondContact OD1-CD2 3.49Å; D497-F499 PolarHBondContact OD1-N 3.31Å; D497-F499 WeakPolarHBondContact OD2-CB 3.42Å; F499-C503 PolarHBondContact O-SG 3.01Å |
| 500 | I | 51.2 | Low | 68.7 | Low | 73 Ų | 73 | 70.8 Ų | 70.8 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -20.9 | 170.2 | -66.8 | 161 | 0 | 0 | 0 | 111.2 | N493 N495 D497 C503 | N493-I500 PolarHBondContact ND2-O 3.38Å; N495-I500 HydrophobicContact CB-CB 4.39Å; N495-I500 HydrophobicContact CB-CG2 4.2Å; N495-I500 WeakPolarHBondContact ND2-CB 3.31Å; N495-I500 WeakPolarHBondContact ND2-CG2 3.27Å; D497-I500 HydrophobicContact CB-CB 4.38Å; D497-I500 HydrophobicContact CB-CD1 4.21Å; D497-I500 PolarHBondContact O-N 3.28Å; D497-I500 WeakPolarHBondContact OD2-CD1 3.02Å; D497-I500 VanDerWaalsContact OD2-CG1 3.23Å; D497-I500 WeakPolarHBondContact OD2-CG1 3.49Å; D497-I500 PolarHBondContact OD2-N 3.08Å; D497-I500 VanDerWaalsContact OD2-N 3.16Å; I500-C503 PolarHBondContact O-N 3.42Å |
| 501 | S | 57.5 | Low | 68.8 | Low | 22 Ų | 22 | 71.1 Ų | 71.1 | 15% | 0.154 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 144 | 164.5 | -65.2 | 0 | 0 | 0 | 0 | 110.7 | N495 D497 C503 | N495-S501 PolarHBondContact N-OG 2.87Å; N495-S501 PolarHBondContact O-OG 3.37Å; N495-S501 VanDerWaalsContact O-OG 3.13Å; D497-S501 PolarHBondContact O-N 3.05Å; D497-S501 PolarHBondContact O-OG 3.44Å; D497-S501 VanDerWaalsContact O-OG 3.14Å; S501-C503 PolarHBondContact O-N 2.94Å; S501-C503 VanDerWaalsContact O-N 3.12Å |
| 502 | E | 67 | Low | 68.9 | Low | 102 Ų | 102 | 75.1 Ų | 75.1 | 48% | 0.477 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 3.7 | -178.5 | -37.4 | -151.4 | 131 | 0 | 0 | 117.3 | V492 N493 R585 | V492-E502 VanDerWaalsContact CG1-CA 3.45Å; V492-E502 HydrophobicContact CG1-CB 3.47Å; V492-E502 VanDerWaalsContact CG1-CB 3.47Å; V492-E502 HydrophobicContact CG1-CG 3.47Å; V492-E502 VanDerWaalsContact CG1-CG 3.47Å; N493-E502 PolarHBondContact O-N 2.69Å; N493-E502 PolarHBondContact OD1-N 3.33Å; E502-R585 IonicContact OE1-CZ 3.16Å; E502-R585 IonicContact OE1-NE 3.9Å; E502-R585 PolarHBondContact OE1-NE 2.84Å; E502-R585 IonicContact OE1-NH2 2.7Å; E502-R585 PolarHBondContact OE1-NH2 2.91Å |
| 503 | C | 58.3 | Low | 69.2 | Low | 90 Ų | 90 | 75.7 Ų | 75.7 | 61% | 0.608 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -77.1 | -20.3 | 174.9 | -67.7 | 0 | 0 | 0 | 0 | 115.2 | N493 F499 I500 S501 | N493-C503 PolarHBondContact OD1-N 3.06Å; N493-C503 VanDerWaalsContact OD1-N 3.13Å; F499-C503 PolarHBondContact O-SG 3.01Å; I500-C503 PolarHBondContact O-N 3.42Å; S501-C503 PolarHBondContact O-N 2.94Å; S501-C503 VanDerWaalsContact O-N 3.12Å |
| 504 | L | 65.4 | Low | 69.5 | Low | 89 Ų | 89 | 77.9 Ų | 77.9 | 47% | 0.466 | 39% | 0.394 | S | S | . | . | trans | -110.3 | 114.2 | 175.9 | -61.3 | 174.2 | 0 | 0 | 0 | 109.6 | V492 N493 Y506 | V492-L504 WeakPolarHBondContact CA-O 3.23Å; N493-L504 HydrophobicContact CB-CB 4Å; N493-L504 HydrophobicContact CB-CD1 4.4Å; N493-L504 PolarHBondContact N-O 3.08Å; N493-L504 PolarHBondContact OD1-N 3.49Å; N493-L504 PolarHBondContact OD1-O 2.98Å; L504-Y506 HydrophobicContact CB-CE2 4.17Å | ||
| 505 | L | 71 | Confident | 70.3 | Confident | 70 Ų | 70 | 77.2 Ų | 77.2 | 37% | 0.366 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 120.1 | -178.7 | -168.9 | 152.8 | 0 | 0 | 0 | 110.9 | H490 L491 Y507 | H490-L505 HydrophobicContact CB-CD2 3.88Å; H490-L505 HydrophobicContact CB-CG 4.25Å; L491-L505 CarbonylContact O-C 3.55Å; L491-L505 VanDerWaalsContact O-CA 3.29Å; L491-L505 WeakPolarHBondContact O-CA 3.48Å; L505-Y507 HydrophobicContact CD2-CD1 3.81Å; L505-Y507 HydrophobicContact CD2-CD2 3.95Å; L505-Y507 HydrophobicContact CD2-CE1 3.53Å; L505-Y507 HydrophobicContact CD2-CE2 3.68Å; L505-Y507 HydrophobicContact CD2-CG 4.01Å; L505-Y507 VanDerWaalsContact CD2-CZ 3.46Å |
| 506 | Y | 79.1 | Confident | 71.5 | Confident | 60 Ų | 60 | 74.4 Ų | 74.4 | 24% | 0.235 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 109.4 | 179.3 | -59.4 | -85.3 | 0 | 0 | 0 | 110.5 | H490 L491 L504 I526 F584 | H490-Y506 CarbonylContact C-O 3.58Å; H490-Y506 WeakPolarHBondContact CA-O 3.24Å; H490-Y506 WeakPolarHBondContact CB-O 3.38Å; L491-Y506 PolarHBondContact N-O 2.89Å; L491-Y506 PolarHBondContact O-N 2.77Å; L504-Y506 HydrophobicContact CB-CE2 4.17Å; Y506-I526 HydrophobicContact CD1-CB 4.43Å; Y506-I526 HydrophobicContact CD1-CD1 4.22Å; Y506-I526 HydrophobicContact CD1-CG1 3.88Å; Y506-I526 HydrophobicContact CD1-CG2 4.02Å; Y506-I526 HydrophobicContact CD2-CG2 4.41Å; Y506-I526 HydrophobicContact CE1-CG1 4.49Å; Y506-I526 HydrophobicContact CE1-CG2 3.89Å; Y506-I526 HydrophobicContact CE2-CG2 4.29Å; Y506-I526 HydrophobicContact CG-CD1 3.98Å; Y506-I526 HydrophobicContact CG-CG1 4.17Å; Y506-I526 HydrophobicContact CG-CG2 4.28Å; Y506-F584 HydrophobicContact CD2-CE1 4.29Å; Y506-F584 AromaticContact CE2-CE1 3.93Å; Y506-F584 HydrophobicContact CE2-CE1 3.93Å; Y506-F584 HydrophobicContact CE2-CZ 4.49Å |
| 507 | Y | 79.8 | Confident | 72.9 | Confident | 112 Ų | 112 | 71.3 Ų | 71.3 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 125.2 | 175 | -62.8 | -75.3 | 0 | 0 | 0 | 111.6 | F488 H490 L505 K509 | F488-Y507 HydrophobicContact CB-CD1 4.2Å; H490-Y507 HydrophobicContact CB-CD1 4.22Å; L505-Y507 HydrophobicContact CD2-CD1 3.81Å; L505-Y507 HydrophobicContact CD2-CD2 3.95Å; L505-Y507 HydrophobicContact CD2-CE1 3.53Å; L505-Y507 HydrophobicContact CD2-CE2 3.68Å; L505-Y507 HydrophobicContact CD2-CG 4.01Å; L505-Y507 VanDerWaalsContact CD2-CZ 3.46Å; Y507-K509 PolarHBondContact O-N 3.09Å |
| 508 | I | 82.2 | Confident | 74.7 | Confident | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | trans | -92.3 | 100.6 | 175.4 | -51.3 | -177.9 | 0 | 0 | 0 | 108.4 | A489 L491 L540 N542 V547 F586 | A489-I508 PolarHBondContact O-N 2.99Å; L491-I508 HydrophobicContact CD2-CD1 4.47Å; L491-I508 HydrophobicContact CG-CD1 4.16Å; I508-L540 HydrophobicContact CD1-CB 4.36Å; I508-L540 HydrophobicContact CD1-CD1 3.98Å; I508-L540 HydrophobicContact CG2-CB 4.43Å; I508-N542 HydrophobicContact CG2-CB 3.87Å; I508-N542 PolarHBondContact O-ND2 2.76Å; I508-V547 HydrophobicContact CD1-CG1 3.76Å; I508-V547 HydrophobicContact CG2-CG1 4.19Å; I508-V547 HydrophobicContact CG2-CG2 4.41Å; I508-F586 HydrophobicContact CD1-CD2 4.15Å; I508-F586 HydrophobicContact CD1-CE2 3.97Å | ||
| 509 | K | 77.1 | Confident | 76.1 | Confident | 157 Ų | 157 | 73 Ų | 73 | 68% | 0.683 | 37% | 0.365 | S | S | * | . | trans | -69 | 157.8 | 174.8 | -66 | 172.8 | -176.4 | 169 | 0 | 110.3 | Y507 N542 | Y507-K509 PolarHBondContact O-N 3.09Å; K509-N542 WeakPolarHBondContact O-CB 3.43Å | ||
| 510 | E | 78.3 | Confident | 77.9 | Confident | 154 Ų | 154 | 65.7 Ų | 65.7 | 72% | 0.72 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -57.1 | 134.2 | 169.7 | -171.8 | 168.8 | -140.7 | 0 | 0 | 110.5 | ||
| 511 | G | 85.4 | Confident | 79.3 | Confident | 35 Ų | 35 | 71.1 Ų | 71.1 | 36% | 0.361 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 104.8 | -156.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N542 | G511-N542 PolarHBondContact N-O 3.22Å; G511-N542 PolarHBondContact O-N 3.16Å |
| 512 | I | 88.5 | Confident | 80.4 | Confident | 89 Ų | 89 | 73.3 Ų | 73.3 | 46% | 0.456 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 128 | -175.7 | -59.4 | 168.7 | 0 | 0 | 0 | 109.8 | K514 E539 E541 | I512-K514 HydrophobicContact CG2-CG 4.48Å; I512-E539 HydrophobicContact CG2-CB 4Å; I512-E539 HydrophobicContact CG2-CG 4.29Å; I512-E541 HydrophobicContact CG1-CB 4.4Å; I512-E541 HydrophobicContact CG1-CG 4.08Å |
| 513 | T | 89.2 | Confident | 81.1 | Confident | 16 Ų | 16 | 78.4 Ų | 78.4 | 10% | 0.098 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.1 | 172.5 | -56.5 | 0 | 0 | 0 | 0 | 109.6 | D525 I526 L540 | T513-D525 HydrophobicContact CG2-CB 3.84Å; T513-I526 HydrophobicContact CG2-CD1 4.04Å; T513-I526 HydrophobicContact CG2-CG1 4.02Å; T513-L540 PolarHBondContact N-O 3.17Å; T513-L540 PolarHBondContact O-N 2.99Å |
| 514 | K | 90.9 | Very high | 82.4 | Confident | 59 Ų | 59 | 74.3 Ų | 74.3 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 139.7 | -174.2 | -60 | -173.2 | 174.3 | -170.7 | 0 | 112.9 | I512 D525 I526 E539 | I512-K514 HydrophobicContact CG2-CG 4.48Å; K514-D525 WeakPolarHBondContact CB-OD2 3.46Å; K514-D525 PolarHBondContact N-OD2 3.11Å; K514-D525 PolarHBondContact O-N 3.01Å; K514-I526 PolarHBondContact O-N 2.86Å; K514-E539 HydrophobicContact CG-CG 4.33Å |
| 515 | V | 91.3 | Very high | 83.4 | Confident | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 129 | -177.3 | -166.2 | 0 | 0 | 0 | 0 | 110.9 | Q524 I526 L528 H537 C538 L540 L578 | V515-Q524 PolarHBondContact O-OE1 3.24Å; V515-I526 WeakPolarHBondContact CA-O 3.26Å; V515-I526 HydrophobicContact CB-CB 4.39Å; V515-I526 HydrophobicContact CG1-CB 4.04Å; V515-I526 HydrophobicContact CG1-CG2 4.02Å; V515-I526 HydrophobicContact CG2-CB 4.1Å; V515-I526 HydrophobicContact CG2-CD1 4.19Å; V515-I526 HydrophobicContact CG2-CG1 4.48Å; V515-L528 HydrophobicContact CG1-CD1 3.72Å; V515-L528 HydrophobicContact CG1-CG 4.23Å; V515-H537 WeakPolarHBondContact O-CA 3.19Å; V515-H537 WeakPolarHBondContact O-CB 3.5Å; V515-H537 PolarHBondContact O-N 3.41Å; V515-C538 WeakPolarHBondContact CA-O 3.26Å; V515-C538 WeakPolarHBondContact CB-O 3.09Å; V515-C538 PolarHBondContact N-O 2.75Å; V515-C538 PolarHBondContact O-N 2.98Å; V515-C538 VanDerWaalsContact O-N 3.11Å; V515-L540 HydrophobicContact CG2-CD1 3.8Å; V515-L540 HydrophobicContact CG2-CG 4.25Å; V515-L578 HydrophobicContact CG1-CD1 3.8Å |
| 516 | G | 90.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.9 | -162.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I526 Q527 L528 Q534 S535 | G516-I526 PolarHBondContact N-O 3.47Å; G516-I526 VanDerWaalsContact N-O 3.15Å; G516-Q527 CarbonylContact O-C 3.57Å; G516-Q527 WeakPolarHBondContact O-CA 3.45Å; G516-L528 PolarHBondContact O-N 3.29Å; G516-Q534 WeakPolarHBondContact CA-O 3.34Å; G516-S535 WeakPolarHBondContact CA-O 3.34Å |
| 517 | R | 86.4 | Confident | 84.6 | Confident | 67 Ų | 67 | 72.9 Ų | 72.9 | 25% | 0.253 | 36% | 0.359 | S | S | . | . | trans | -80.7 | 159 | 178.5 | -66.3 | -176.2 | -173 | 174.7 | 6.6 | 113 | D519 L528 G530 I533 Q534 S535 | R517-D519 VanDerWaalsContact CB-OD1 3.22Å; R517-D519 WeakPolarHBondContact CB-OD1 3.2Å; R517-D519 WeakPolarHBondContact CD-OD1 3.35Å; R517-D519 WeakPolarHBondContact CD-OD2 3.09Å; R517-D519 IonicContact CZ-OD2 3.89Å; R517-D519 IonicContact NE-OD2 2.72Å; R517-D519 IonicContact NH1-OD2 3.05Å; R517-D519 PolarHBondContact NH1-OD2 3.42Å; R517-D519 VanDerWaalsContact NH1-OD2 3.15Å; R517-D519 PolarHBondContact O-N 3.46Å; R517-L528 WeakPolarHBondContact CA-O 3.18Å; R517-G530 PolarHBondContact NE-O 3.35Å; R517-G530 PolarHBondContact NH2-O 2.95Å; R517-I533 HydrophobicContact CG-CB 4.47Å; R517-I533 HydrophobicContact CG-CG2 4.03Å; R517-I533 VanDerWaalsContact CZ-O 3.28Å; R517-I533 PolarHBondContact NE-O 3.37Å; R517-I533 PolarHBondContact NH2-O 2.86Å; R517-Q534 PolarHBondContact N-O 3.06Å; R517-S535 PolarHBondContact N-O 3.1Å | ||
| 518 | P | 82.5 | Confident | 84.8 | Confident | 70 Ų | 70 | 67.9 Ų | 67.9 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -8.7 | 168 | 30.6 | -37.1 | 0 | 0 | 0 | 114.3 | A520 N529 | P518-A520 VanDerWaalsContact C-N 3.29Å; P518-A520 PolarHBondContact O-N 3.47Å; P518-N529 VanDerWaalsContact CD-OD1 3.22Å; P518-N529 WeakPolarHBondContact CD-OD1 3.33Å; P518-N529 WeakPolarHBondContact CG-OD1 3.4Å |
| 519 | D | 82.9 | Confident | 84.7 | Confident | 92 Ų | 92 | 73.3 Ų | 73.3 | 49% | 0.492 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 1.9 | 177.8 | 65.9 | 21.5 | 0 | 0 | 0 | 114.3 | R517 S535 | R517-D519 VanDerWaalsContact CB-OD1 3.22Å; R517-D519 WeakPolarHBondContact CB-OD1 3.2Å; R517-D519 WeakPolarHBondContact CD-OD1 3.35Å; R517-D519 WeakPolarHBondContact CD-OD2 3.09Å; R517-D519 IonicContact CZ-OD2 3.89Å; R517-D519 IonicContact NE-OD2 2.72Å; R517-D519 IonicContact NH1-OD2 3.05Å; R517-D519 PolarHBondContact NH1-OD2 3.42Å; R517-D519 VanDerWaalsContact NH1-OD2 3.15Å; R517-D519 PolarHBondContact O-N 3.46Å; D519-S535 VanDerWaalsContact OD1-CB 3.32Å; D519-S535 WeakPolarHBondContact OD1-CB 3.48Å; D519-S535 PolarHBondContact OD1-OG 3.08Å |
| 520 | A | 81.2 | Confident | 84.5 | Confident | 20 Ų | 20 | 67 Ų | 67 | 17% | 0.165 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -74.1 | 144.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | P518 V522 Q524 S535 | P518-A520 VanDerWaalsContact C-N 3.29Å; P518-A520 PolarHBondContact O-N 3.47Å; A520-V522 WeakPolarHBondContact CB-O 3.29Å; A520-V522 PolarHBondContact O-N 3.36Å; A520-Q524 HydrophobicContact CB-CG 4.02Å; A520-S535 WeakPolarHBondContact CB-O 3.49Å |
| 521 | L | 80.7 | Confident | 84.5 | Confident | 187 Ų | 187 | 67.7 Ų | 67.7 | 98% | 0.979 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -57.8 | -29.1 | 174.7 | -73 | 166.3 | 0 | 0 | 0 | 113.4 | ||
| 522 | V | 80.7 | Confident | 84.4 | Confident | 68 Ų | 68 | 68.9 Ų | 68.9 | 41% | 0.412 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -114.3 | 131.8 | 172.8 | -178 | 0 | 0 | 0 | 0 | 108 | A520 Q524 | A520-V522 WeakPolarHBondContact CB-O 3.29Å; A520-V522 PolarHBondContact O-N 3.36Å; V522-Q524 PolarHBondContact O-N 3.49Å; V522-Q524 PolarHBondContact O-NE2 2.87Å |
| 523 | R | 81.9 | Confident | 84.3 | Confident | 210 Ų | 210 | 64.9 Ų | 64.9 | 79% | 0.792 | 33% | 0.329 | S | S | * | . | trans | -56 | 122.4 | 176.5 | 178.7 | 178.1 | 177.5 | 167.3 | 2.2 | 110.3 | ||||
| 524 | Q | 85.6 | Confident | 84.2 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 1% | 0.014 | 34% | 0.339 | C | S | . | . | trans | -82 | 147.3 | 170.8 | -50.2 | -61.6 | -64.6 | 0 | 0 | 109.9 | V515 A520 V522 Q527 | V515-Q524 PolarHBondContact O-OE1 3.24Å; A520-Q524 HydrophobicContact CB-CG 4.02Å; V522-Q524 PolarHBondContact O-N 3.49Å; V522-Q524 PolarHBondContact O-NE2 2.87Å; Q524-Q527 HydrophobicContact CB-CG 4.23Å; Q524-Q527 WeakPolarHBondContact O-CG 3.42Å; Q524-Q527 PolarHBondContact O-NE2 3.3Å | ||
| 525 | D | 86 | Confident | 84.1 | Confident | 96 Ų | 96 | 66.8 Ų | 66.8 | 51% | 0.513 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -82.2 | -41.9 | 179.9 | -58.6 | -65.4 | 0 | 0 | 0 | 111.4 | T513 K514 | T513-D525 HydrophobicContact CG2-CB 3.84Å; K514-D525 WeakPolarHBondContact CB-OD2 3.46Å; K514-D525 PolarHBondContact N-OD2 3.11Å; K514-D525 PolarHBondContact O-N 3.01Å |
| 526 | I | 86.9 | Confident | 84 | Confident | 6 Ų | 6 | 69.6 Ų | 69.6 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 111.8 | 170.8 | -56.5 | -178.8 | 0 | 0 | 0 | 107.7 | L491 Y506 T513 K514 V515 G516 L528 L540 | L491-I526 HydrophobicContact CD1-CD1 4.1Å; Y506-I526 HydrophobicContact CD1-CB 4.43Å; Y506-I526 HydrophobicContact CD1-CD1 4.22Å; Y506-I526 HydrophobicContact CD1-CG1 3.88Å; Y506-I526 HydrophobicContact CD1-CG2 4.02Å; Y506-I526 HydrophobicContact CD2-CG2 4.41Å; Y506-I526 HydrophobicContact CE1-CG1 4.49Å; Y506-I526 HydrophobicContact CE1-CG2 3.89Å; Y506-I526 HydrophobicContact CE2-CG2 4.29Å; Y506-I526 HydrophobicContact CG-CD1 3.98Å; Y506-I526 HydrophobicContact CG-CG1 4.17Å; Y506-I526 HydrophobicContact CG-CG2 4.28Å; T513-I526 HydrophobicContact CG2-CD1 4.04Å; T513-I526 HydrophobicContact CG2-CG1 4.02Å; K514-I526 PolarHBondContact O-N 2.86Å; V515-I526 WeakPolarHBondContact CA-O 3.26Å; V515-I526 HydrophobicContact CB-CB 4.39Å; V515-I526 HydrophobicContact CG1-CB 4.04Å; V515-I526 HydrophobicContact CG1-CG2 4.02Å; V515-I526 HydrophobicContact CG2-CB 4.1Å; V515-I526 HydrophobicContact CG2-CD1 4.19Å; V515-I526 HydrophobicContact CG2-CG1 4.48Å; G516-I526 PolarHBondContact N-O 3.47Å; G516-I526 VanDerWaalsContact N-O 3.15Å; I526-L528 HydrophobicContact CG2-CD2 4.09Å; I526-L528 HydrophobicContact CG2-CG 4.13Å; I526-L540 HydrophobicContact CD1-CD1 4.12Å |
| 527 | Q | 87.9 | Confident | 84 | Confident | 87 Ų | 87 | 69.6 Ų | 69.6 | 41% | 0.407 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 112.7 | -173.1 | -64.2 | -178.6 | 8.5 | 0 | 0 | 110.7 | G516 Q524 | G516-Q527 CarbonylContact O-C 3.57Å; G516-Q527 WeakPolarHBondContact O-CA 3.45Å; Q524-Q527 HydrophobicContact CB-CG 4.23Å; Q524-Q527 WeakPolarHBondContact O-CG 3.42Å; Q524-Q527 PolarHBondContact O-NE2 3.3Å |
| 528 | L | 84.6 | Confident | 84.4 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | trans | -120.4 | 130.9 | -176.1 | -57.1 | -179.6 | 0 | 0 | 0 | 110.7 | V515 G516 R517 I526 I533 L578 H582 F584 | V515-L528 HydrophobicContact CG1-CD1 3.72Å; V515-L528 HydrophobicContact CG1-CG 4.23Å; G516-L528 PolarHBondContact O-N 3.29Å; R517-L528 WeakPolarHBondContact CA-O 3.18Å; I526-L528 HydrophobicContact CG2-CD2 4.09Å; I526-L528 HydrophobicContact CG2-CG 4.13Å; L528-I533 HydrophobicContact CB-CG1 4.3Å; L528-I533 HydrophobicContact CB-CG2 4.21Å; L528-L578 HydrophobicContact CD1-CB 4.44Å; L528-L578 HydrophobicContact CD1-CD1 3.74Å; L528-H582 HydrophobicContact CD1-CB 4.24Å; L528-F584 HydrophobicContact CD1-CE2 3.97Å; L528-F584 HydrophobicContact CD1-CZ 4.14Å; L528-F584 HydrophobicContact CD2-CZ 3.95Å | ||
| 529 | N | 79.8 | Confident | 84.9 | Confident | 114 Ų | 114 | 64.7 Ų | 64.7 | 61% | 0.61 | 33% | 0.331 | S | S | * | . | trans | -101.6 | 133.3 | 178.1 | -74.9 | -43.5 | 0 | 0 | 0 | 111.1 | P518 H582 | P518-N529 VanDerWaalsContact CD-OD1 3.22Å; P518-N529 WeakPolarHBondContact CD-OD1 3.33Å; P518-N529 WeakPolarHBondContact CG-OD1 3.4Å; N529-H582 PolarHBondContact O-CE1 3.48Å; N529-H582 PolarHBondContact O-NE2 3.42Å | ||
| 530 | G | 74 | Confident | 85.3 | Confident | 26 Ų | 26 | 60.5 Ų | 60.5 | 27% | 0.268 | 31% | 0.308 | S | S | . | . | trans | 167.9 | 152 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | R517 L532 I533 | R517-G530 PolarHBondContact NE-O 3.35Å; R517-G530 PolarHBondContact NH2-O 2.95Å; G530-L532 PolarHBondContact O-N 2.98Å; G530-L532 VanDerWaalsContact O-N 3.14Å; G530-I533 PolarHBondContact O-N 2.97Å; G530-I533 VanDerWaalsContact O-N 3.08Å | ||
| 531 | Q | 78.1 | Confident | 85.8 | Confident | 167 Ų | 167 | 61.5 Ų | 61.5 | 78% | 0.78 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30 | -176.9 | -167 | 177.9 | 16.2 | 0 | 0 | 113.1 | ||
| 532 | L | 82.2 | Confident | 86.1 | Confident | 61 Ų | 61 | 52.8 Ų | 52.8 | 32% | 0.319 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 7 | -179.2 | -59.6 | 178 | 0 | 0 | 0 | 114.1 | G530 H537 L556 G579 K580 Y581 | G530-L532 PolarHBondContact O-N 2.98Å; G530-L532 VanDerWaalsContact O-N 3.14Å; L532-H537 PolarHBondContact O-CE1 3.32Å; L532-L556 HydrophobicContact CB-CD1 4.44Å; L532-L556 HydrophobicContact CD1-CD1 4.4Å; L532-G579 WeakPolarHBondContact O-CA 3.25Å; L532-K580 HydrophobicContact CD1-CB 3.95Å; L532-K580 HydrophobicContact CD1-CD 3.73Å; L532-K580 HydrophobicContact CD1-CG 3.63Å; L532-Y581 HydrophobicContact CD1-CE2 4.3Å |
| 533 | I | 87.6 | Confident | 86.3 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | trans | -91 | 135.3 | 164.3 | -58.8 | -61 | 0 | 0 | 0 | 107.7 | R517 L528 G530 H537 L578 | R517-I533 HydrophobicContact CG-CB 4.47Å; R517-I533 HydrophobicContact CG-CG2 4.03Å; R517-I533 VanDerWaalsContact CZ-O 3.28Å; R517-I533 PolarHBondContact NE-O 3.37Å; R517-I533 PolarHBondContact NH2-O 2.86Å; L528-I533 HydrophobicContact CB-CG1 4.3Å; L528-I533 HydrophobicContact CB-CG2 4.21Å; G530-I533 PolarHBondContact O-N 2.97Å; G530-I533 VanDerWaalsContact O-N 3.08Å; I533-H537 HydrophobicContact CG2-CB 4.17Å; I533-L578 HydrophobicContact CD1-CB 3.87Å | ||
| 534 | Q | 87.4 | Confident | 86.1 | Confident | 66 Ų | 66 | 53.2 Ų | 53.2 | 31% | 0.308 | 27% | 0.268 | S | S | . | . | trans | -88.1 | 163.1 | 174.8 | -68.2 | -166.8 | 9 | 0 | 0 | 110.9 | G516 R517 E536 H537 A553 A554 | G516-Q534 WeakPolarHBondContact CA-O 3.34Å; R517-Q534 PolarHBondContact N-O 3.06Å; Q534-E536 VanDerWaalsContact C-N 3.35Å; Q534-E536 VanDerWaalsContact CB-O 3.26Å; Q534-E536 WeakPolarHBondContact CB-O 3.31Å; Q534-E536 PolarHBondContact O-N 3.1Å; Q534-E536 PolarHBondContact OE1-O 2.79Å; Q534-H537 HydrophobicContact CB-CB 4.35Å; Q534-H537 PolarHBondContact N-ND1 2.91Å; Q534-A553 PolarHBondContact NE2-O 3.01Å; Q534-A553 PolarHBondContact OE1-O 2.87Å; Q534-A554 PolarHBondContact NE2-O 3.15Å | ||
| 535 | S | 87.2 | Confident | 85.4 | Confident | 49 Ų | 49 | 55.4 Ų | 55.4 | 34% | 0.343 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -59.6 | -43.4 | 175.3 | -55.6 | 0 | 0 | 0 | 0 | 112.2 | G516 R517 D519 A520 | G516-S535 WeakPolarHBondContact CA-O 3.34Å; R517-S535 PolarHBondContact N-O 3.1Å; D519-S535 VanDerWaalsContact OD1-CB 3.32Å; D519-S535 WeakPolarHBondContact OD1-CB 3.48Å; D519-S535 PolarHBondContact OD1-OG 3.08Å; A520-S535 WeakPolarHBondContact CB-O 3.49Å |
| 536 | E | 89.8 | Confident | 85.3 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 28% | 0.28 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -113.4 | 120.6 | 158.5 | -55.6 | -164.1 | 167.1 | 0 | 0 | 107.7 | Q534 K552 | Q534-E536 VanDerWaalsContact C-N 3.35Å; Q534-E536 VanDerWaalsContact CB-O 3.26Å; Q534-E536 WeakPolarHBondContact CB-O 3.31Å; Q534-E536 PolarHBondContact O-N 3.1Å; Q534-E536 PolarHBondContact OE1-O 2.79Å; E536-K552 HydrophobicContact CB-CD 4.13Å; E536-K552 HydrophobicContact CB-CG 4.19Å; E536-K552 IonicContact OE2-NZ 2.69Å; E536-K552 PolarHBondContact OE2-NZ 3.16Å |
| 537 | H | 91.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -113.8 | -48.3 | -170.2 | -167 | 75.8 | 0 | 0 | 0 | 112.9 | V515 L532 I533 Q534 K552 A555 L556 G579 | V515-H537 WeakPolarHBondContact O-CA 3.19Å; V515-H537 WeakPolarHBondContact O-CB 3.5Å; V515-H537 PolarHBondContact O-N 3.41Å; L532-H537 PolarHBondContact O-CE1 3.32Å; I533-H537 HydrophobicContact CG2-CB 4.17Å; Q534-H537 HydrophobicContact CB-CB 4.35Å; Q534-H537 PolarHBondContact N-ND1 2.91Å; H537-K552 WeakPolarHBondContact O-CB 3.4Å; H537-K552 PolarHBondContact O-N 2.93Å; H537-A555 WeakPolarHBondContact O-CB 3.43Å; H537-L556 PolarHBondContact NE2-O 2.76Å; H537-G579 PolarHBondContact NE2-N 3.09Å | ||
| 538 | C | 93.1 | Very high | 85.5 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 164 | 170.3 | 62.8 | 0 | 0 | 0 | 0 | 111.7 | V515 L549 I550 | V515-C538 WeakPolarHBondContact CA-O 3.26Å; V515-C538 WeakPolarHBondContact CB-O 3.09Å; V515-C538 PolarHBondContact N-O 2.75Å; V515-C538 PolarHBondContact O-N 2.98Å; V515-C538 VanDerWaalsContact O-N 3.11Å; C538-L549 HydrophobicContact CB-CD2 4.45Å; C538-I550 CarbonylContact C-O 3.52Å; C538-I550 VanDerWaalsContact CA-O 3.3Å; C538-I550 WeakPolarHBondContact CA-O 3.41Å; C538-I550 WeakPolarHBondContact CB-O 3.46Å |
| 539 | E | 92.9 | Very high | 85.9 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 16% | 0.159 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142 | 172.1 | -66.3 | -178.3 | -177.9 | 0 | 0 | 109.1 | I512 K514 I550 K552 | I512-E539 HydrophobicContact CG2-CB 4Å; I512-E539 HydrophobicContact CG2-CG 4.29Å; K514-E539 HydrophobicContact CG-CG 4.33Å; E539-I550 HydrophobicContact CB-CB 4.42Å; E539-I550 PolarHBondContact N-O 3.03Å; E539-I550 PolarHBondContact O-N 2.9Å; E539-K552 WeakPolarHBondContact OE1-CE 3.37Å; E539-K552 IonicContact OE1-NZ 3.89Å; E539-K552 PolarHBondContact OE1-NZ 2.96Å |
| 540 | L | 91.4 | Very high | 86.6 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 104.4 | 178 | -65.5 | 162.3 | 0 | 0 | 0 | 107.4 | L491 I508 T513 V515 I526 V547 T548 L549 L570 | L491-L540 HydrophobicContact CD1-CD1 3.81Å; I508-L540 HydrophobicContact CD1-CB 4.36Å; I508-L540 HydrophobicContact CD1-CD1 3.98Å; I508-L540 HydrophobicContact CG2-CB 4.43Å; T513-L540 PolarHBondContact N-O 3.17Å; T513-L540 PolarHBondContact O-N 2.99Å; V515-L540 HydrophobicContact CG2-CD1 3.8Å; V515-L540 HydrophobicContact CG2-CG 4.25Å; I526-L540 HydrophobicContact CD1-CD1 4.12Å; L540-V547 HydrophobicContact CB-CG1 4.45Å; L540-T548 WeakPolarHBondContact CA-O 3.4Å; L540-L549 HydrophobicContact CD2-CB 3.99Å; L540-L549 HydrophobicContact CD2-CD1 4.23Å; L540-L549 HydrophobicContact CD2-CG 4.06Å; L540-L570 HydrophobicContact CD2-CD1 3.84Å |
| 541 | E | 91.6 | Very high | 87.4 | Confident | 42 Ų | 42 | 48.5 Ų | 48.5 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 115.5 | -178.9 | -172.3 | -178.8 | -127 | 0 | 0 | 110.2 | I512 K543 V547 T548 I550 | I512-E541 HydrophobicContact CG1-CB 4.4Å; I512-E541 HydrophobicContact CG1-CG 4.08Å; E541-K543 HydrophobicContact CG-CD 4.33Å; E541-K543 HydrophobicContact CG-CG 4.31Å; E541-K543 WeakPolarHBondContact OE1-CE 3.35Å; E541-K543 IonicContact OE1-NZ 3.15Å; E541-K543 PolarHBondContact OE1-NZ 3.37Å; E541-K543 WeakPolarHBondContact OE2-CE 3.17Å; E541-K543 IonicContact OE2-NZ 3.93Å; E541-K543 PolarHBondContact OE2-NZ 3.31Å; E541-V547 CarbonylContact O-C 3.55Å; E541-V547 WeakPolarHBondContact O-CA 3.31Å; E541-T548 PolarHBondContact N-O 2.62Å; E541-T548 PolarHBondContact O-N 3.23Å; E541-I550 HydrophobicContact CB-CD1 4.09Å |
| 542 | N | 87.3 | Confident | 88 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 112.2 | 175.1 | -179.4 | -1 | 0 | 0 | 0 | 110 | I508 K509 G511 N545 I546 V547 | I508-N542 HydrophobicContact CG2-CB 3.87Å; I508-N542 PolarHBondContact O-ND2 2.76Å; K509-N542 WeakPolarHBondContact O-CB 3.43Å; G511-N542 PolarHBondContact N-O 3.22Å; G511-N542 PolarHBondContact O-N 3.16Å; N542-N545 VanDerWaalsContact OD1-CA 3.27Å; N542-N545 WeakPolarHBondContact OD1-CA 3.4Å; N542-N545 PolarHBondContact OD1-N 3.03Å; N542-I546 WeakPolarHBondContact CA-O 3.48Å; N542-V547 HydrophobicContact CB-CG2 4.04Å |
| 543 | K | 84.8 | Confident | 88 | Confident | 121 Ų | 121 | 44.9 Ų | 44.9 | 53% | 0.526 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.5 | 173.2 | -75.3 | 168.1 | 176 | 153.6 | 0 | 108.3 | E541 N545 I546 | E541-K543 HydrophobicContact CG-CD 4.33Å; E541-K543 HydrophobicContact CG-CG 4.31Å; E541-K543 WeakPolarHBondContact OE1-CE 3.35Å; E541-K543 IonicContact OE1-NZ 3.15Å; E541-K543 PolarHBondContact OE1-NZ 3.37Å; E541-K543 WeakPolarHBondContact OE2-CE 3.17Å; E541-K543 IonicContact OE2-NZ 3.93Å; E541-K543 PolarHBondContact OE2-NZ 3.31Å; K543-N545 PolarHBondContact O-N 3.3Å; K543-I546 PolarHBondContact N-O 2.92Å; K543-I546 WeakPolarHBondContact O-CB 3.33Å; K543-I546 PolarHBondContact O-N 3.49Å |
| 544 | E | 79.2 | Confident | 87.7 | Confident | 166 Ų | 166 | 49.4 Ų | 49.4 | 78% | 0.776 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 27.5 | 175.2 | -53.9 | -175 | 163.2 | 0 | 0 | 114.2 | I546 | E544-I546 VanDerWaalsContact C-N 3.3Š|
| 545 | N | 71 | Confident | 87.7 | Confident | 49 Ų | 49 | 46.9 Ų | 46.9 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 13.2 | -172.7 | -50.8 | -86.1 | 0 | 0 | 0 | 115.8 | N542 K543 N588 Q590 | N542-N545 VanDerWaalsContact OD1-CA 3.27Å; N542-N545 WeakPolarHBondContact OD1-CA 3.4Å; N542-N545 PolarHBondContact OD1-N 3.03Å; K543-N545 PolarHBondContact O-N 3.3Å; N545-N588 PolarHBondContact O-ND2 2.88Å; N545-Q590 PolarHBondContact ND2-OE1 2.75Å; N545-Q590 PolarHBondContact OD1-NE2 2.85Å |
| 546 | I | 83.4 | Confident | 87.7 | Confident | 95 Ų | 95 | 47.8 Ų | 47.8 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 120.2 | 165 | -55.3 | 177.2 | 0 | 0 | 0 | 107.8 | N542 K543 E544 V569 | N542-I546 WeakPolarHBondContact CA-O 3.48Å; K543-I546 PolarHBondContact N-O 2.92Å; K543-I546 WeakPolarHBondContact O-CB 3.33Å; K543-I546 PolarHBondContact O-N 3.49Å; E544-I546 VanDerWaalsContact C-N 3.3Å; I546-V569 HydrophobicContact CG2-CG1 3.56Å; I546-V569 HydrophobicContact CG2-CG2 4.38Å |
| 547 | V | 87.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.8 | -179.1 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | A489 I508 L540 E541 N542 L570 F586 | A489-V547 HydrophobicContact CB-CG2 3.97Å; I508-V547 HydrophobicContact CD1-CG1 3.76Å; I508-V547 HydrophobicContact CG2-CG1 4.19Å; I508-V547 HydrophobicContact CG2-CG2 4.41Å; L540-V547 HydrophobicContact CB-CG1 4.45Å; E541-V547 CarbonylContact O-C 3.55Å; E541-V547 WeakPolarHBondContact O-CA 3.31Å; N542-V547 HydrophobicContact CB-CG2 4.04Å; V547-L570 HydrophobicContact CG1-CD1 4.03Å; V547-L570 PolarHBondContact O-N 3.07Å; V547-F586 HydrophobicContact CB-CE2 3.96Å; V547-F586 HydrophobicContact CB-CZ 3.77Å; V547-F586 HydrophobicContact CG1-CE2 4.26Å; V547-F586 HydrophobicContact CG2-CE2 3.8Å; V547-F586 HydrophobicContact CG2-CZ 3.66Å |
| 548 | T | 91.9 | Very high | 87.6 | Confident | 26 Ų | 26 | 46.1 Ų | 46.1 | 16% | 0.16 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 126.5 | 178.3 | -52.4 | 0 | 0 | 0 | 0 | 110.3 | L540 E541 I550 P567 V568 | L540-T548 WeakPolarHBondContact CA-O 3.4Å; E541-T548 PolarHBondContact N-O 2.62Å; E541-T548 PolarHBondContact O-N 3.23Å; T548-I550 HydrophobicContact CG2-CG1 4.34Å; T548-P567 HydrophobicContact CG2-CB 3.82Å; T548-V568 CarbonylContact C-O 3.6Å; T548-V568 WeakPolarHBondContact CA-O 3.32Å |
| 549 | L | 92.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 124.1 | 171.8 | -173.4 | 157.4 | 0 | 0 | 0 | 109.6 | C538 L540 C557 V559 P567 V568 L570 I576 | C538-L549 HydrophobicContact CB-CD2 4.45Å; L540-L549 HydrophobicContact CD2-CB 3.99Å; L540-L549 HydrophobicContact CD2-CD1 4.23Å; L540-L549 HydrophobicContact CD2-CG 4.06Å; L549-C557 HydrophobicContact CD2-CB 4.23Å; L549-V559 HydrophobicContact CD1-CG2 4.35Å; L549-P567 WeakPolarHBondContact O-CA 3.04Å; L549-V568 PolarHBondContact N-O 2.87Å; L549-V568 PolarHBondContact O-N 2.81Å; L549-L570 HydrophobicContact CB-CD1 4.12Å; L549-L570 HydrophobicContact CB-CD2 4.16Å; L549-L570 HydrophobicContact CB-CG 4.15Å; L549-L570 HydrophobicContact CD1-CD2 4.45Å; L549-I576 HydrophobicContact CD1-CD1 4.22Å; L549-I576 HydrophobicContact CD1-CG1 4.45Å; L549-I576 HydrophobicContact CD1-CG2 3.6Å |
| 550 | I | 93.3 | Very high | 86.9 | Confident | 52 Ų | 52 | 47.5 Ų | 47.5 | 27% | 0.267 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 105.7 | -180 | -56.7 | 171.6 | 0 | 0 | 0 | 107.8 | C538 E539 E541 T548 P567 | C538-I550 CarbonylContact C-O 3.52Å; C538-I550 VanDerWaalsContact CA-O 3.3Å; C538-I550 WeakPolarHBondContact CA-O 3.41Å; C538-I550 WeakPolarHBondContact CB-O 3.46Å; E539-I550 HydrophobicContact CB-CB 4.42Å; E539-I550 PolarHBondContact N-O 3.03Å; E539-I550 PolarHBondContact O-N 2.9Å; E541-I550 HydrophobicContact CB-CD1 4.09Å; T548-I550 HydrophobicContact CG2-CG1 4.34Å; I550-P567 HydrophobicContact CG1-CB 4.25Å; I550-P567 HydrophobicContact CG1-CG 4.45Å |
| 551 | P | 92.1 | Very high | 86 | Confident | 19 Ų | 19 | 47.7 Ų | 47.7 | 12% | 0.123 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 147.8 | 179.3 | 31.3 | -35 | 0 | 0 | 0 | 111.6 | C557 V564 T565 | P551-C557 HydrophobicContact CB-CB 4.18Å; P551-V564 HydrophobicContact CG-CG1 4.41Å; P551-T565 VanDerWaalsContact CG-C 3.48Å; P551-T565 WeakPolarHBondContact CG-O 3.43Å |
| 552 | K | 89.8 | Confident | 85.5 | Confident | 58 Ų | 58 | 52.9 Ų | 52.9 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -82.6 | 161.6 | 170.1 | -64.9 | -86.1 | 175.3 | 161.9 | 0 | 110.5 | E536 H537 E539 A554 A555 | E536-K552 HydrophobicContact CB-CD 4.13Å; E536-K552 HydrophobicContact CB-CG 4.19Å; E536-K552 IonicContact OE2-NZ 2.69Å; E536-K552 PolarHBondContact OE2-NZ 3.16Å; H537-K552 WeakPolarHBondContact O-CB 3.4Å; H537-K552 PolarHBondContact O-N 2.93Å; E539-K552 WeakPolarHBondContact OE1-CE 3.37Å; E539-K552 IonicContact OE1-NZ 3.89Å; E539-K552 PolarHBondContact OE1-NZ 2.96Å; K552-A554 PolarHBondContact O-N 3.21Å; K552-A555 HydrophobicContact CB-CB 4.19Å; K552-A555 VanDerWaalsContact O-CB 3.24Å; K552-A555 WeakPolarHBondContact O-CB 3.43Å; K552-A555 PolarHBondContact O-N 2.93Å |
| 553 | A | 82.6 | Confident | 85.4 | Confident | 93 Ų | 93 | 56.2 Ų | 56.2 | 77% | 0.769 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 126.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q534 A555 | Q534-A553 PolarHBondContact NE2-O 3.01Å; Q534-A553 PolarHBondContact OE1-O 2.87Å; A553-A555 PolarHBondContact O-N 2.86Å |
| 554 | A | 81.3 | Confident | 85.4 | Confident | 99 Ų | 99 | 51.3 Ų | 51.3 | 82% | 0.818 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 17.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q534 K552 | Q534-A554 PolarHBondContact NE2-O 3.15Å; K552-A554 PolarHBondContact O-N 3.21Å |
| 555 | A | 86.4 | Confident | 85.6 | Confident | 13 Ų | 13 | 49 Ų | 49 | 11% | 0.107 | 30% | 0.296 | C | S | . | . | trans | -77.9 | 133.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | H537 K552 A553 C557 | H537-A555 WeakPolarHBondContact O-CB 3.43Å; K552-A555 HydrophobicContact CB-CB 4.19Å; K552-A555 VanDerWaalsContact O-CB 3.24Å; K552-A555 WeakPolarHBondContact O-CB 3.43Å; K552-A555 PolarHBondContact O-N 2.93Å; A553-A555 PolarHBondContact O-N 2.86Å; A555-C557 PolarHBondContact O-N 2.82Å | ||
| 556 | L | 88.4 | Confident | 86.4 | Confident | 69 Ų | 69 | 52.8 Ų | 52.8 | 36% | 0.361 | 31% | 0.313 | S | S | . | . | trans | -82.1 | 95 | 176.4 | -70 | 176 | 0 | 0 | 0 | 110.2 | L532 H537 F558 G579 | L532-L556 HydrophobicContact CB-CD1 4.44Å; L532-L556 HydrophobicContact CD1-CD1 4.4Å; H537-L556 PolarHBondContact NE2-O 2.76Å; L556-F558 HydrophobicContact CB-CE2 4.22Å; L556-G579 PolarHBondContact O-N 2.92Å | ||
| 557 | C | 90.1 | Very high | 86.7 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.02 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 135.6 | 172.9 | -61.5 | 0 | 0 | 0 | 0 | 109.9 | L549 P551 A555 V564 I577 L578 | L549-C557 HydrophobicContact CD2-CB 4.23Å; P551-C557 HydrophobicContact CB-CB 4.18Å; A555-C557 PolarHBondContact O-N 2.82Å; C557-V564 PolarHBondContact O-N 3.29Å; C557-I577 WeakPolarHBondContact CA-O 3.5Å; C557-L578 HydrophobicContact CB-CD2 4.28Å |
| 558 | F | 88.6 | Confident | 86.8 | Confident | 22 Ų | 22 | 54.4 Ų | 54.4 | 10% | 0.096 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 145.7 | 172.4 | -50.2 | -107.9 | 0 | 0 | 0 | 110.3 | L556 K562 A563 I576 I577 G579 | L556-F558 HydrophobicContact CB-CE2 4.22Å; F558-K562 CarbonylContact C-O 3.48Å; F558-K562 WeakPolarHBondContact CA-O 3.44Å; F558-K562 WeakPolarHBondContact CB-O 3.5Å; F558-A563 HydrophobicContact CD1-CB 3.83Å; F558-A563 HydrophobicContact CE1-CB 3.84Å; F558-I576 CarbonylContact O-C 3.54Å; F558-I576 WeakPolarHBondContact O-CA 3.42Å; F558-I577 HydrophobicContact CB-CB 4.14Å; F558-I577 HydrophobicContact CB-CD1 3.99Å; F558-I577 HydrophobicContact CD2-CB 4.18Å; F558-I577 HydrophobicContact CD2-CG2 4.3Å; F558-I577 PolarHBondContact N-O 2.78Å; F558-I577 PolarHBondContact O-N 2.85Å; F558-G579 WeakPolarHBondContact CE2-O 2.77Å |
| 559 | V | 89.2 | Confident | 86.8 | Confident | 11 Ų | 11 | 56 Ų | 56 | 7% | 0.067 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 121.3 | 172.3 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | L549 G561 K562 V564 L570 N574 R575 I576 | L549-V559 HydrophobicContact CD1-CG2 4.35Å; V559-G561 PolarHBondContact O-N 2.86Å; V559-K562 PolarHBondContact N-O 2.73Å; V559-K562 PolarHBondContact O-N 2.93Å; V559-V564 HydrophobicContact CB-CG2 3.95Å; V559-V564 HydrophobicContact CG2-CG2 3.84Å; V559-L570 HydrophobicContact CG1-CD2 4.26Å; V559-L570 HydrophobicContact CG2-CD2 4.16Å; V559-N574 HydrophobicContact CG1-CB 4.31Å; V559-R575 CarbonylContact C-O 3.46Å; V559-R575 VanDerWaalsContact CA-O 3.31Å; V559-R575 WeakPolarHBondContact CA-O 3.41Å; V559-I576 HydrophobicContact CG2-CG1 4.41Å |
| 560 | N | 82.6 | Confident | 86.6 | Confident | 53 Ų | 53 | 56.1 Ų | 56.1 | 28% | 0.283 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 59.1 | -174.8 | -58.4 | -40.3 | 0 | 0 | 0 | 111.9 | K562 N574 R575 | N560-K562 PolarHBondContact O-N 2.83Å; N560-N574 PolarHBondContact ND2-ND2 3.01Å; N560-R575 PolarHBondContact N-O 3.29Å; N560-R575 PolarHBondContact OD1-N 2.64Å |
| 561 | G | 71.3 | Confident | 86.3 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 6% | 0.062 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | -23.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | V559 E615 | V559-G561 PolarHBondContact O-N 2.86Å; G561-E615 WeakPolarHBondContact CA-OE2 3.22Å; G561-E615 PolarHBondContact N-OE2 2.82Å |
| 562 | K | 81.9 | Confident | 85.7 | Confident | 152 Ų | 152 | 58.7 Ų | 58.7 | 66% | 0.661 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 133.1 | -175.9 | -65.2 | 176.6 | -178.2 | 175.2 | 0 | 111.6 | F558 V559 N560 | F558-K562 CarbonylContact C-O 3.48Å; F558-K562 WeakPolarHBondContact CA-O 3.44Å; F558-K562 WeakPolarHBondContact CB-O 3.5Å; V559-K562 PolarHBondContact N-O 2.73Å; V559-K562 PolarHBondContact O-N 2.93Å; N560-K562 PolarHBondContact O-N 2.83Å |
| 563 | A | 84.7 | Confident | 85.2 | Confident | 73 Ų | 73 | 57.7 Ų | 57.7 | 60% | 0.603 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 140 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F558 | F558-A563 HydrophobicContact CD1-CB 3.83Å; F558-A563 HydrophobicContact CE1-CB 3.84Å |
| 564 | V | 84.4 | Confident | 85.5 | Confident | 17 Ų | 17 | 54.4 Ų | 54.4 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | trans | -123.3 | 119.4 | -174.8 | 174.4 | 0 | 0 | 0 | 0 | 110.2 | P551 C557 V559 E566 V568 | P551-V564 HydrophobicContact CG-CG1 4.41Å; C557-V564 PolarHBondContact O-N 3.29Å; V559-V564 HydrophobicContact CB-CG2 3.95Å; V559-V564 HydrophobicContact CG2-CG2 3.84Å; V564-E566 WeakPolarHBondContact CG1-O 3.4Å; V564-V568 HydrophobicContact CG1-CB 4.07Å; V564-V568 HydrophobicContact CG1-CG2 3.52Å; V564-V568 HydrophobicContact CG2-CG2 4.15Å | ||
| 565 | T | 84.3 | Confident | 85.6 | Confident | 117 Ų | 117 | 50.8 Ų | 50.8 | 72% | 0.718 | 29% | 0.292 | S | S | * | . | trans | -111.4 | -15.1 | 176.3 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | P551 | P551-T565 VanDerWaalsContact CG-C 3.48Å; P551-T565 WeakPolarHBondContact CG-O 3.43Å | ||
| 566 | E | 87.3 | Confident | 85.8 | Confident | 130 Ų | 130 | 50.2 Ų | 50.2 | 61% | 0.607 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -114.5 | 164.1 | -178.4 | -63.3 | -58.6 | 149.9 | 0 | 0 | 110.5 | V564 V568 | V564-E566 WeakPolarHBondContact CG1-O 3.4Å; E566-V568 PolarHBondContact O-N 2.92Å |
| 567 | P | 90.1 | Very high | 85.8 | Confident | 80 Ų | 80 | 47.1 Ų | 47.1 | 52% | 0.519 | 27% | 0.271 | S | S | . | . | trans | -58.4 | 126.6 | 173.7 | -25.2 | 35.9 | 0 | 0 | 0 | 113 | T548 L549 I550 | T548-P567 HydrophobicContact CG2-CB 3.82Å; L549-P567 WeakPolarHBondContact O-CA 3.04Å; I550-P567 HydrophobicContact CG1-CB 4.25Å; I550-P567 HydrophobicContact CG1-CG 4.45Å | ||
| 568 | V | 90.5 | Very high | 85.7 | Confident | 48 Ų | 48 | 47.2 Ų | 47.2 | 29% | 0.291 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 128 | -179 | 167.5 | 0 | 0 | 0 | 0 | 111.3 | T548 L549 V564 E566 L570 | T548-V568 CarbonylContact C-O 3.6Å; T548-V568 WeakPolarHBondContact CA-O 3.32Å; L549-V568 PolarHBondContact N-O 2.87Å; L549-V568 PolarHBondContact O-N 2.81Å; V564-V568 HydrophobicContact CG1-CB 4.07Å; V564-V568 HydrophobicContact CG1-CG2 3.52Å; V564-V568 HydrophobicContact CG2-CG2 4.15Å; E566-V568 PolarHBondContact O-N 2.92Å; V568-L570 PolarHBondContact O-N 2.49Å |
| 569 | V | 91 | Very high | 85.5 | Confident | 60 Ų | 60 | 46.2 Ų | 46.2 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 123.5 | 174.6 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | I546 H571 | I546-V569 HydrophobicContact CG2-CG1 3.56Å; I546-V569 HydrophobicContact CG2-CG2 4.38Å; V569-H571 PolarHBondContact O-ND1 2.82Å; V569-H571 VanDerWaalsContact O-ND1 3.09Å |
| 570 | L | 88.8 | Confident | 85 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 132 | 179.4 | -60 | 174.5 | 0 | 0 | 0 | 110.6 | L540 V547 L549 V559 V568 I576 F586 | L540-L570 HydrophobicContact CD2-CD1 3.84Å; V547-L570 HydrophobicContact CG1-CD1 4.03Å; V547-L570 PolarHBondContact O-N 3.07Å; L549-L570 HydrophobicContact CB-CD1 4.12Å; L549-L570 HydrophobicContact CB-CD2 4.16Å; L549-L570 HydrophobicContact CB-CG 4.15Å; L549-L570 HydrophobicContact CD1-CD2 4.45Å; V559-L570 HydrophobicContact CG1-CD2 4.26Å; V559-L570 HydrophobicContact CG2-CD2 4.16Å; V568-L570 PolarHBondContact O-N 2.49Å; L570-I576 HydrophobicContact CD1-CD1 3.53Å; L570-I576 HydrophobicContact CD2-CD1 3.65Å; L570-I576 HydrophobicContact CD2-CG1 3.94Å; L570-I576 HydrophobicContact CG-CD1 4.22Å; L570-F586 HydrophobicContact CB-CD1 3.56Å; L570-F586 HydrophobicContact CB-CD2 4.49Å; L570-F586 HydrophobicContact CB-CE1 3.74Å; L570-F586 HydrophobicContact CB-CG 3.96Å; L570-F586 HydrophobicContact CB-CZ 4.28Å; L570-F586 HydrophobicContact CD1-CD2 4.26Å; L570-F586 HydrophobicContact CD1-CG 4.24Å; L570-F586 VanDerWaalsContact O-CE1 3.3Å; L570-F586 WeakPolarHBondContact O-CE1 3.42Å |
| 571 | H | 86.3 | Confident | 84.8 | Confident | 96 Ų | 96 | 56.2 Ų | 56.2 | 44% | 0.444 | 30% | 0.304 | S | S | . | . | trans | -114.8 | 148.1 | 178.3 | -63 | 72.9 | 0 | 0 | 0 | 110.1 | V569 G573 N574 E591 | V569-H571 PolarHBondContact O-ND1 2.82Å; V569-H571 VanDerWaalsContact O-ND1 3.09Å; H571-G573 PolarHBondContact O-N 2.72Å; H571-N574 PolarHBondContact N-OD1 3.15Å; H571-N574 WeakPolarHBondContact O-CB 3.41Å; H571-N574 PolarHBondContact O-N 3.34Å; H571-N574 PolarHBondContact O-ND2 2.86Å; H571-N574 VanDerWaalsContact O-ND2 3.15Å; H571-E591 WeakPolarHBondContact CB-OE1 3.42Å; H571-E591 IonicContact CD2-OE1 2.62Å; H571-E591 PolarHBondContact CD2-OE1 2.89Å; H571-E591 IonicContact CG-OE1 2.89Å | ||
| 572 | S | 80.8 | Confident | 85.4 | Confident | 28 Ų | 28 | 58.1 Ų | 58.1 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 128.2 | -175.3 | -161.6 | 0 | 0 | 0 | 0 | 112 | N587 N588 E591 L592 | S572-N587 WeakPolarHBondContact OG-CA 3.29Å; S572-N588 PolarHBondContact OG-N 3.03Å; S572-E591 WeakPolarHBondContact CB-OE2 3.43Å; S572-E591 PolarHBondContact N-OE1 3.11Å; S572-E591 PolarHBondContact N-OE2 3.19Å; S572-L592 WeakPolarHBondContact OG-CD1 3.26Å; S572-L592 WeakPolarHBondContact OG-CG 3.34Å |
| 573 | G | 78.1 | Confident | 85.6 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 39% | 0.392 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | -8.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | H571 R575 F586 | H571-G573 PolarHBondContact O-N 2.72Å; G573-R575 PolarHBondContact O-N 2.86Å; G573-F586 PolarHBondContact N-O 2.81Å |
| 574 | N | 88.8 | Confident | 85.8 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 13% | 0.128 | 26% | 0.258 | C | S | . | . | trans | -62.4 | 130.3 | 177.8 | -76.9 | -169.6 | 0 | 0 | 0 | 112 | V559 N560 H571 R585 F586 | V559-N574 HydrophobicContact CG1-CB 4.31Å; N560-N574 PolarHBondContact ND2-ND2 3.01Å; H571-N574 PolarHBondContact N-OD1 3.15Å; H571-N574 WeakPolarHBondContact O-CB 3.41Å; H571-N574 PolarHBondContact O-N 3.34Å; H571-N574 PolarHBondContact O-ND2 2.86Å; H571-N574 VanDerWaalsContact O-ND2 3.15Å; N574-R585 WeakPolarHBondContact O-CA 3.26Å; N574-F586 PolarHBondContact O-N 3.49Å | ||
| 575 | R | 84.6 | Confident | 86 | Confident | 22 Ų | 22 | 50.3 Ų | 50.3 | 8% | 0.083 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 122.2 | 175.6 | -69.1 | 170.3 | -70.9 | 128.2 | 7.1 | 109.6 | L494 V559 N560 G573 F584 E615 | L494-R575 HydrophobicContact CD1-CG 4.2Å; V559-R575 CarbonylContact C-O 3.46Å; V559-R575 VanDerWaalsContact CA-O 3.31Å; V559-R575 WeakPolarHBondContact CA-O 3.41Å; N560-R575 PolarHBondContact N-O 3.29Å; N560-R575 PolarHBondContact OD1-N 2.64Å; G573-R575 PolarHBondContact O-N 2.86Å; R575-F584 CarbonylContact C-O 3.55Å; R575-F584 VanDerWaalsContact CA-O 3.29Å; R575-F584 WeakPolarHBondContact CA-O 3.18Å; R575-E615 IonicContact CZ-OE1 2.72Å; R575-E615 IonicContact CZ-OE2 2.71Å; R575-E615 VanDerWaalsContact CZ-OE2 3.28Å; R575-E615 VanDerWaalsContact NH1-CD 3.32Å; R575-E615 IonicContact NH1-OE1 3.74Å; R575-E615 PolarHBondContact NH1-OE1 3.3Å; R575-E615 IonicContact NH1-OE2 2.73Å; R575-E615 PolarHBondContact NH1-OE2 3.22Å; R575-E615 VanDerWaalsContact NH2-CD 3.31Å; R575-E615 IonicContact NH2-OE1 2.67Å; R575-E615 PolarHBondContact NH2-OE1 3.42Å; R575-E615 IonicContact NH2-OE2 3.47Å; R575-E615 PolarHBondContact NH2-OE2 2.88Å; R575-E615 VanDerWaalsContact NH2-OE2 3.11Å |
| 576 | I | 89.6 | Confident | 86.2 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128 | -179.2 | -56.1 | 168 | 0 | 0 | 0 | 108.3 | L491 L549 F558 V559 L570 L578 V583 F584 F586 | L491-I576 HydrophobicContact CD2-CD1 3.63Å; L549-I576 HydrophobicContact CD1-CD1 4.22Å; L549-I576 HydrophobicContact CD1-CG1 4.45Å; L549-I576 HydrophobicContact CD1-CG2 3.6Å; F558-I576 CarbonylContact O-C 3.54Å; F558-I576 WeakPolarHBondContact O-CA 3.42Å; V559-I576 HydrophobicContact CG2-CG1 4.41Å; L570-I576 HydrophobicContact CD1-CD1 3.53Å; L570-I576 HydrophobicContact CD2-CD1 3.65Å; L570-I576 HydrophobicContact CD2-CG1 3.94Å; L570-I576 HydrophobicContact CG-CD1 4.22Å; I576-L578 HydrophobicContact CG2-CD2 3.91Å; I576-L578 HydrophobicContact CG2-CG 4.19Å; I576-V583 CarbonylContact O-C 3.46Å; I576-F584 PolarHBondContact N-O 2.97Å; I576-F584 PolarHBondContact O-N 2.99Å; I576-F586 HydrophobicContact CD1-CB 4.01Å |
| 577 | I | 88.1 | Confident | 86 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.7 | 173.9 | -54.9 | 126.3 | 0 | 0 | 0 | 108.6 | C557 F558 H582 V583 L616 | C557-I577 WeakPolarHBondContact CA-O 3.5Å; F558-I577 HydrophobicContact CB-CB 4.14Å; F558-I577 HydrophobicContact CB-CD1 3.99Å; F558-I577 HydrophobicContact CD2-CB 4.18Å; F558-I577 HydrophobicContact CD2-CG2 4.3Å; F558-I577 PolarHBondContact N-O 2.78Å; F558-I577 PolarHBondContact O-N 2.85Å; I577-H582 WeakPolarHBondContact CA-O 3.12Å; I577-V583 HydrophobicContact CG1-CG1 4.05Å; I577-V583 HydrophobicContact CG1-CG2 4.21Å; I577-V583 HydrophobicContact CG2-CG2 4.45Å; I577-L616 HydrophobicContact CD1-CD1 3.98Å; I577-L616 HydrophobicContact CD1-CD2 4.26Å; I577-L616 HydrophobicContact CD1-CG 4.32Å |
| 578 | L | 88.9 | Confident | 85.6 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.3 | 175.8 | -56.9 | -177.8 | 0 | 0 | 0 | 109.5 | V515 L528 I533 C557 I576 K580 H582 F584 | V515-L578 HydrophobicContact CG1-CD1 3.8Å; L528-L578 HydrophobicContact CD1-CB 4.44Å; L528-L578 HydrophobicContact CD1-CD1 3.74Å; I533-L578 HydrophobicContact CD1-CB 3.87Å; C557-L578 HydrophobicContact CB-CD2 4.28Å; I576-L578 HydrophobicContact CG2-CD2 3.91Å; I576-L578 HydrophobicContact CG2-CG 4.19Å; L578-K580 PolarHBondContact O-N 2.82Å; L578-H582 HydrophobicContact CB-CB 4.21Å; L578-H582 PolarHBondContact N-O 2.81Å; L578-H582 PolarHBondContact O-N 2.84Å; L578-F584 HydrophobicContact CD1-CD2 4.47Å; L578-F584 HydrophobicContact CD1-CE2 4.16Å |
| 579 | G | 84.6 | Confident | 84.6 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | -121.9 | -166.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L532 H537 L556 F558 | L532-G579 WeakPolarHBondContact O-CA 3.25Å; H537-G579 PolarHBondContact NE2-N 3.09Å; L556-G579 PolarHBondContact O-N 2.92Å; F558-G579 WeakPolarHBondContact CE2-O 2.77Å |
| 580 | K | 78.3 | Confident | 83.6 | Confident | 114 Ų | 114 | 35.1 Ų | 35.1 | 50% | 0.496 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 3.4 | 169.1 | -72 | -169.3 | 176.2 | -162.1 | 0 | 113.5 | L532 L578 | L532-K580 HydrophobicContact CD1-CB 3.95Å; L532-K580 HydrophobicContact CD1-CD 3.73Å; L532-K580 HydrophobicContact CD1-CG 3.63Å; L578-K580 PolarHBondContact O-N 2.82Å |
| 581 | Y | 79.2 | Confident | 82.7 | Confident | 161 Ų | 161 | 37.4 Ų | 37.4 | 63% | 0.631 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -136.1 | -19.2 | -162.3 | -52.2 | -57.7 | 0 | 0 | 0 | 114.4 | L532 | L532-Y581 HydrophobicContact CD1-CE2 4.3Š|
| 582 | H | 84.2 | Confident | 81.4 | Confident | 46 Ų | 46 | 36 Ų | 36 | 21% | 0.213 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 98.7 | 179.2 | -68.1 | -85.6 | 0 | 0 | 0 | 109.1 | L528 N529 I577 L578 F584 | L528-H582 HydrophobicContact CD1-CB 4.24Å; N529-H582 PolarHBondContact O-CE1 3.48Å; N529-H582 PolarHBondContact O-NE2 3.42Å; I577-H582 WeakPolarHBondContact CA-O 3.12Å; L578-H582 HydrophobicContact CB-CB 4.21Å; L578-H582 PolarHBondContact N-O 2.81Å; L578-H582 PolarHBondContact O-N 2.84Å; H582-F584 HydrophobicContact CB-CE2 3.81Å; H582-F584 HydrophobicContact CB-CZ 4.27Å |
| 583 | V | 86.2 | Confident | 80.1 | Confident | 20 Ų | 20 | 39.7 Ų | 39.7 | 12% | 0.121 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 133.3 | -178.3 | -167.2 | 0 | 0 | 0 | 0 | 109.6 | L494 I576 I577 | L494-V583 HydrophobicContact CB-CB 4.16Å; L494-V583 HydrophobicContact CB-CG1 3.95Å; L494-V583 HydrophobicContact CD1-CG1 4.02Å; L494-V583 HydrophobicContact CG-CG1 4.37Å; L494-V583 PolarHBondContact N-O 3.36Å; I576-V583 CarbonylContact O-C 3.46Å; I577-V583 HydrophobicContact CG1-CG1 4.05Å; I577-V583 HydrophobicContact CG1-CG2 4.21Å; I577-V583 HydrophobicContact CG2-CG2 4.45Å |
| 584 | F | 88.3 | Confident | 79.1 | Confident | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 155.1 | 179.1 | -58.2 | -80.5 | 0 | 0 | 0 | 111.6 | L491 V492 N493 Y506 L528 R575 I576 L578 H582 | L491-F584 HydrophobicContact CB-CB 4.47Å; L491-F584 HydrophobicContact CB-CD1 4.39Å; L491-F584 HydrophobicContact CD2-CB 4.49Å; V492-F584 CarbonylContact O-C 3.53Å; V492-F584 WeakPolarHBondContact O-CA 3.47Å; N493-F584 HydrophobicContact CB-CD1 4.06Å; N493-F584 HydrophobicContact CB-CE1 4.05Å; Y506-F584 HydrophobicContact CD2-CE1 4.29Å; Y506-F584 AromaticContact CE2-CE1 3.93Å; Y506-F584 HydrophobicContact CE2-CE1 3.93Å; Y506-F584 HydrophobicContact CE2-CZ 4.49Å; L528-F584 HydrophobicContact CD1-CE2 3.97Å; L528-F584 HydrophobicContact CD1-CZ 4.14Å; L528-F584 HydrophobicContact CD2-CZ 3.95Å; R575-F584 CarbonylContact C-O 3.55Å; R575-F584 VanDerWaalsContact CA-O 3.29Å; R575-F584 WeakPolarHBondContact CA-O 3.18Å; I576-F584 PolarHBondContact N-O 2.97Å; I576-F584 PolarHBondContact O-N 2.99Å; L578-F584 HydrophobicContact CD1-CD2 4.47Å; L578-F584 HydrophobicContact CD1-CE2 4.16Å; H582-F584 HydrophobicContact CB-CE2 3.81Å; H582-F584 HydrophobicContact CB-CZ 4.27Å |
| 585 | R | 87.5 | Confident | 77.4 | Confident | 52 Ų | 52 | 46.8 Ų | 46.8 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.5 | 164.1 | 164.2 | 159 | 53.2 | -130.6 | 5.4 | 107.9 | V492 L494 E502 N574 I607 | V492-R585 HydrophobicContact CB-CB 4.5Å; V492-R585 WeakPolarHBondContact CB-O 3.4Å; V492-R585 PolarHBondContact N-O 2.76Å; V492-R585 PolarHBondContact O-N 2.73Å; L494-R585 HydrophobicContact CD1-CB 4.19Å; L494-R585 HydrophobicContact CD2-CB 4.03Å; L494-R585 VanDerWaalsContact CD2-CZ 3.49Å; L494-R585 HydrophobicContact CG-CB 4.2Å; E502-R585 IonicContact OE1-CZ 3.16Å; E502-R585 IonicContact OE1-NE 3.9Å; E502-R585 PolarHBondContact OE1-NE 2.84Å; E502-R585 IonicContact OE1-NH2 2.7Å; E502-R585 PolarHBondContact OE1-NH2 2.91Å; N574-R585 WeakPolarHBondContact O-CA 3.26Å; R585-I607 PolarHBondContact NH1-O 3.37Å |
| 586 | F | 89.3 | Confident | 75.5 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 133.3 | 172.7 | 171.2 | -104 | 0 | 0 | 0 | 110.2 | A489 L491 I508 V547 L570 G573 N574 I576 N588 | A489-F586 HydrophobicContact CB-CE2 3.82Å; A489-F586 HydrophobicContact CB-CZ 3.89Å; L491-F586 HydrophobicContact CD2-CB 3.84Å; L491-F586 HydrophobicContact CD2-CD2 3.96Å; L491-F586 HydrophobicContact CD2-CG 4.39Å; I508-F586 HydrophobicContact CD1-CD2 4.15Å; I508-F586 HydrophobicContact CD1-CE2 3.97Å; V547-F586 HydrophobicContact CB-CE2 3.96Å; V547-F586 HydrophobicContact CB-CZ 3.77Å; V547-F586 HydrophobicContact CG1-CE2 4.26Å; V547-F586 HydrophobicContact CG2-CE2 3.8Å; V547-F586 HydrophobicContact CG2-CZ 3.66Å; L570-F586 HydrophobicContact CB-CD1 3.56Å; L570-F586 HydrophobicContact CB-CD2 4.49Å; L570-F586 HydrophobicContact CB-CE1 3.74Å; L570-F586 HydrophobicContact CB-CG 3.96Å; L570-F586 HydrophobicContact CB-CZ 4.28Å; L570-F586 HydrophobicContact CD1-CD2 4.26Å; L570-F586 HydrophobicContact CD1-CG 4.24Å; L570-F586 VanDerWaalsContact O-CE1 3.3Å; L570-F586 WeakPolarHBondContact O-CE1 3.42Å; G573-F586 PolarHBondContact N-O 2.81Å; N574-F586 PolarHBondContact O-N 3.49Å; I576-F586 HydrophobicContact CD1-CB 4.01Å; F586-N588 HydrophobicContact CE1-CB 3.95Å; F586-N588 HydrophobicContact CZ-CB 4Å |
| 587 | N | 83.5 | Confident | 73.2 | Confident | 32 Ų | 32 | 64.2 Ų | 64.2 | 17% | 0.171 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131.7 | 178.5 | -76.1 | -21.3 | 0 | 0 | 0 | 110.6 | A489 H490 S572 | A489-N587 WeakPolarHBondContact CA-O 3.37Å; H490-N587 PolarHBondContact N-O 3.02Å; H490-N587 WeakPolarHBondContact NE2-CB 2.86Å; H490-N587 PolarHBondContact O-N 2.88Å; S572-N587 WeakPolarHBondContact OG-CA 3.29Å |
| 588 | N | 82.1 | Confident | 70.9 | Confident | 12 Ų | 12 | 68.4 Ų | 68.4 | 6% | 0.064 | 33% | 0.327 | C | S | . | . | trans | -119.8 | 102.5 | 175.1 | -171.2 | -8.7 | 0 | 0 | 0 | 110.3 | A489 N545 S572 F586 Q590 E591 L592 | A489-N588 HydrophobicContact CB-CB 4.46Å; N545-N588 PolarHBondContact O-ND2 2.88Å; S572-N588 PolarHBondContact OG-N 3.03Å; F586-N588 HydrophobicContact CE1-CB 3.95Å; F586-N588 HydrophobicContact CZ-CB 4Å; N588-Q590 PolarHBondContact O-N 3.31Å; N588-Q590 VanDerWaalsContact O-N 3.16Å; N588-Q590 PolarHBondContact OD1-N 3.08Å; N588-E591 HydrophobicContact CB-CB 3.88Å; N588-E591 WeakPolarHBondContact CB-OE2 3.49Å; N588-E591 PolarHBondContact O-N 2.92Å; N588-L592 PolarHBondContact O-N 2.72Å; N588-L592 VanDerWaalsContact O-N 3.1Å | ||
| 589 | P | 69.5 | Low | 68 | Low | 12 Ų | 12 | 74.7 Ų | 74.7 | 8% | 0.078 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.3 | -29.9 | -177.3 | -28.1 | 36.3 | 0 | 0 | 0 | 114.7 | V486 F488 M593 | V486-P589 HydrophobicContact CG1-CB 4.29Å; V486-P589 VanDerWaalsContact O-CB 3.3Å; V486-P589 WeakPolarHBondContact O-CB 3.33Å; F488-P589 VanDerWaalsContact O-CD 3.3Å; F488-P589 WeakPolarHBondContact O-CD 3.37Å; F488-P589 WeakPolarHBondContact O-CG 3.21Å; P589-M593 HydrophobicContact CB-CE 4.21Å; P589-M593 VanDerWaalsContact O-CG 3.28Å; P589-M593 WeakPolarHBondContact O-CG 3.33Å; P589-M593 PolarHBondContact O-N 2.99Å |
| 590 | Q | 68.4 | Low | 65.6 | Low | 59 Ų | 59 | 80.6 Ų | 80.6 | 28% | 0.276 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -75.9 | -39.3 | -177.4 | -60.4 | -178.7 | 32.2 | 0 | 0 | 111.3 | K487 N545 N588 L592 M593 Q594 | K487-Q590 PolarHBondContact O-NE2 2.66Å; N545-Q590 PolarHBondContact ND2-OE1 2.75Å; N545-Q590 PolarHBondContact OD1-NE2 2.85Å; N588-Q590 PolarHBondContact O-N 3.31Å; N588-Q590 VanDerWaalsContact O-N 3.16Å; N588-Q590 PolarHBondContact OD1-N 3.08Å; Q590-L592 VanDerWaalsContact C-N 3.34Å; Q590-M593 PolarHBondContact O-N 2.79Å; Q590-Q594 WeakPolarHBondContact O-CG 3.32Å; Q590-Q594 PolarHBondContact O-N 2.99Å |
| 591 | E | 70.9 | Confident | 63.2 | Low | 52 Ų | 52 | 81.5 Ų | 81.5 | 24% | 0.243 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 171.7 | -166.8 | -177.6 | 174.6 | 0 | 0 | 111.5 | H571 S572 N588 Q594 S595 | H571-E591 WeakPolarHBondContact CB-OE1 3.42Å; H571-E591 IonicContact CD2-OE1 2.62Å; H571-E591 PolarHBondContact CD2-OE1 2.89Å; H571-E591 IonicContact CG-OE1 2.89Å; S572-E591 WeakPolarHBondContact CB-OE2 3.43Å; S572-E591 PolarHBondContact N-OE1 3.11Å; S572-E591 PolarHBondContact N-OE2 3.19Å; N588-E591 HydrophobicContact CB-CB 3.88Å; N588-E591 WeakPolarHBondContact CB-OE2 3.49Å; N588-E591 PolarHBondContact O-N 2.92Å; E591-Q594 PolarHBondContact O-N 2.78Å; E591-S595 PolarHBondContact O-N 3.5Å; E591-S595 PolarHBondContact O-OG 2.8Å |
| 592 | L | 58.4 | Low | 61 | Low | 68 Ų | 68 | 78.1 Ų | 78.1 | 36% | 0.356 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69.3 | -26.8 | 173.5 | -69.8 | 172.7 | 0 | 0 | 0 | 113.8 | S572 N588 Q590 R596 | S572-L592 WeakPolarHBondContact OG-CD1 3.26Å; S572-L592 WeakPolarHBondContact OG-CG 3.34Å; N588-L592 PolarHBondContact O-N 2.72Å; N588-L592 VanDerWaalsContact O-N 3.1Å; Q590-L592 VanDerWaalsContact C-N 3.34Å; L592-R596 WeakPolarHBondContact O-CB 3.46Å; L592-R596 WeakPolarHBondContact O-CD 3.41Å; L592-R596 WeakPolarHBondContact O-CG 3.49Å; L592-R596 PolarHBondContact O-N 3.08Å |
| 593 | M | 54.1 | Low | 58.4 | Low | 105 Ų | 105 | 83.5 Ų | 83.5 | 52% | 0.517 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -75.2 | -38 | 171.6 | -72.8 | 173.9 | -149.4 | 0 | 0 | 111.5 | V486 P589 Q590 | V486-M593 VanDerWaalsContact O-CE 3.3Å; V486-M593 WeakPolarHBondContact O-CE 3.46Å; P589-M593 HydrophobicContact CB-CE 4.21Å; P589-M593 VanDerWaalsContact O-CG 3.28Å; P589-M593 WeakPolarHBondContact O-CG 3.33Å; P589-M593 PolarHBondContact O-N 2.99Å; Q590-M593 PolarHBondContact O-N 2.79Å |
| 594 | Q | 57.4 | Low | 56.3 | Low | 150 Ų | 150 | 88.7 Ų | 88.7 | 70% | 0.701 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -70.3 | -41 | 178.8 | -69.4 | 173.9 | 19.9 | 0 | 0 | 112.1 | Q590 E591 | Q590-Q594 WeakPolarHBondContact O-CG 3.32Å; Q590-Q594 PolarHBondContact O-N 2.99Å; E591-Q594 PolarHBondContact O-N 2.78Å |
| 595 | S | 52.1 | Low | 53.9 | Low | 60 Ų | 60 | 96.6 Ų | 96.6 | 42% | 0.42 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.4 | -26.4 | 178.4 | 55.5 | 0 | 0 | 0 | 0 | 114 | E591 M597 S598 | E591-S595 PolarHBondContact O-N 3.5Å; E591-S595 PolarHBondContact O-OG 2.8Å; S595-M597 PolarHBondContact O-N 2.93Å; S595-M597 VanDerWaalsContact O-N 3.14Å; S595-S598 PolarHBondContact O-N 3.4Å; S595-S598 PolarHBondContact O-OG 2.93Å; S595-S598 VanDerWaalsContact O-OG 3.13Å |
| 596 | R | 44.1 | Very low | 52.1 | Low | 211 Ų | 211 | 100 Ų | 100 | 80% | 0.796 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 1.4 | 177.4 | -80.3 | 178.5 | 175.2 | -169.9 | -0.8 | 115.4 | L592 | L592-R596 WeakPolarHBondContact O-CB 3.46Å; L592-R596 WeakPolarHBondContact O-CD 3.41Å; L592-R596 WeakPolarHBondContact O-CG 3.49Å; L592-R596 PolarHBondContact O-N 3.08Å |
| 597 | M | 41.4 | Very low | 50.4 | Low | 179 Ų | 179 | 104.1 Ų | 104.1 | 88% | 0.882 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -0.6 | 173 | -64.2 | -167.9 | 71.9 | 0 | 0 | 114 | S595 | S595-M597 PolarHBondContact O-N 2.93Å; S595-M597 VanDerWaalsContact O-N 3.14Å |
| 598 | S | 40.7 | Very low | 48.9 | Very low | 92 Ų | 92 | 106.7 Ų | 106.7 | 64% | 0.643 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -110.4 | 157.7 | 172.2 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | S595 | S595-S598 PolarHBondContact O-N 3.4Å; S595-S598 PolarHBondContact O-OG 2.93Å; S595-S598 VanDerWaalsContact O-OG 3.13Å |
| 599 | T | 28.5 | Very low | 47.5 | Very low | 136 Ų | 136 | 108.9 Ų | 108.9 | 83% | 0.834 | 59% | 0.587 | S | S | * | * | trans | -94.8 | 169.1 | -162.8 | 38.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 600 | S | 33.7 | Very low | 46.9 | Very low | 125 Ų | 125 | 110.1 Ų | 110.1 | 87% | 0.874 | 60% | 0.598 | S | S | * | * | trans | 97.5 | 158.1 | 165.7 | 79.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 601 | V | 27.1 | Very low | 46.8 | Very low | 134 Ų | 134 | 113.7 Ų | 113.7 | 81% | 0.812 | 61% | 0.61 | S | S | * | * | trans | -116.4 | 129.7 | -163.8 | 177.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 602 | S | 34.1 | Very low | 46.1 | Very low | 89 Ų | 89 | 111.5 Ų | 111.5 | 62% | 0.622 | 60% | 0.601 | S | S | * | * | trans | -125.7 | 144.3 | 162.6 | 54.8 | 0 | 0 | 0 | 0 | 109.9 | D604 | S602-D604 PolarHBondContact OG-OD2 3.15Š| ||
| 603 | N | 28.8 | Very low | 46.1 | Very low | 160 Ų | 160 | 112.2 Ų | 112.2 | 86% | 0.856 | 60% | 0.602 | S | S | * | * | trans | -96.5 | 84.6 | 175.7 | -68.5 | -27.8 | 0 | 0 | 0 | 108.6 | ||||
| 604 | D | 42.2 | Very low | 46.5 | Very low | 128 Ų | 128 | 111.6 Ų | 111.6 | 68% | 0.684 | 60% | 0.601 | S | S | * | * | trans | -92.7 | 128.8 | 174.1 | -64.4 | -58.6 | 0 | 0 | 0 | 110.1 | S602 | S602-D604 PolarHBondContact OG-OD2 3.15Š| ||
| 605 | E | 38.2 | Very low | 46.9 | Very low | 173 Ų | 173 | 106.3 Ų | 106.3 | 81% | 0.808 | 58% | 0.576 | S | S | * | * | trans | -66.2 | 152.8 | 179.3 | -69.1 | -173 | 131.5 | 0 | 0 | 111.3 | I607 | E605-I607 PolarHBondContact O-N 3.33Š| ||
| 606 | P | 49.1 | Very low | 47.2 | Very low | 122 Ų | 122 | 105 Ų | 105 | 79% | 0.792 | 57% | 0.565 | S | S | * | * | trans | -61.8 | 107.1 | -178.5 | 24.8 | -34.4 | 0 | 0 | 0 | 111.2 | D608 | P606-D608 PolarHBondContact O-N 3.31Š| ||
| 607 | I | 53.1 | Low | 47.8 | Very low | 88 Ų | 88 | 98.6 Ų | 98.6 | 45% | 0.451 | 55% | 0.546 | S | S | . | . | trans | -68.1 | 96 | -175.1 | -52 | 176.3 | 0 | 0 | 0 | 110.2 | R585 E605 Y611 | R585-I607 PolarHBondContact NH1-O 3.37Å; E605-I607 PolarHBondContact O-N 3.33Å; I607-Y611 HydrophobicContact CG2-CD1 4.02Å; I607-Y611 HydrophobicContact CG2-CG 4.44Å | ||
| 608 | D | 54 | Low | 48.6 | Very low | 86 Ų | 86 | 98.1 Ų | 98.1 | 46% | 0.46 | 54% | 0.541 | S | S | . | . | trans | -95.2 | -174.6 | -177.4 | 77.3 | -1.1 | 0 | 0 | 0 | 113 | P606 A610 Y611 A612 | P606-D608 PolarHBondContact O-N 3.31Å; D608-A610 WeakPolarHBondContact OD1-CA 3.47Å; D608-A610 WeakPolarHBondContact OD1-CB 3.49Å; D608-A610 PolarHBondContact OD1-N 3.19Å; D608-Y611 PolarHBondContact OD1-N 3.05Å; D608-A612 PolarHBondContact O-N 3.17Å | ||
| 609 | W | 52.4 | Low | 49.4 | Very low | 58 Ų | 58 | 99.1 Ų | 99.1 | 22% | 0.22 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -69.6 | -32.8 | 176.1 | 174 | 96.7 | 0 | 0 | 0 | 112.9 | N495 E496 A612 Q613 | N495-W609 WeakPolarHBondContact O-CB 3.39Å; E496-W609 HydrophobicContact CB-CD2 3.82Å; E496-W609 HydrophobicContact CB-CE3 4.11Å; E496-W609 HydrophobicContact CB-CG 4.29Å; E496-W609 HydrophobicContact CB-CH2 4.05Å; E496-W609 HydrophobicContact CB-CZ2 3.79Å; E496-W609 HydrophobicContact CB-CZ3 4.23Å; E496-W609 HydrophobicContact CG-CD2 4.1Å; E496-W609 HydrophobicContact CG-CE3 3.85Å; E496-W609 HydrophobicContact CG-CH2 3.62Å; E496-W609 HydrophobicContact CG-CZ2 3.91Å; E496-W609 HydrophobicContact CG-CZ3 3.62Å; E496-W609 VanDerWaalsContact OE1-CH2 3.31Å; E496-W609 WeakPolarHBondContact OE1-CH2 3.45Å; W609-A612 PolarHBondContact O-N 3.21Å; W609-Q613 VanDerWaalsContact CZ2-NE2 3.26Å; W609-Q613 WeakPolarHBondContact O-CB 3.48Å; W609-Q613 PolarHBondContact O-N 3.13Å |
| 610 | A | 56.2 | Low | 50.5 | Low | 37 Ų | 37 | 96.7 Ų | 96.7 | 31% | 0.306 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D608 Q613 N614 | D608-A610 WeakPolarHBondContact OD1-CA 3.47Å; D608-A610 WeakPolarHBondContact OD1-CB 3.49Å; D608-A610 PolarHBondContact OD1-N 3.19Å; A610-Q613 PolarHBondContact O-N 3.02Å; A610-N614 WeakPolarHBondContact O-CB 3.28Å; A610-N614 PolarHBondContact O-N 2.97Å; A610-N614 PolarHBondContact O-ND2 2.89Å |
| 611 | Y | 65.9 | Low | 51.1 | Low | 134 Ų | 134 | 94.2 Ų | 94.2 | 53% | 0.525 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 170.9 | -170.9 | -82.7 | 0 | 0 | 0 | 111.5 | I607 D608 Q613 N614 E615 | I607-Y611 HydrophobicContact CG2-CD1 4.02Å; I607-Y611 HydrophobicContact CG2-CG 4.44Å; D608-Y611 PolarHBondContact OD1-N 3.05Å; Y611-Q613 VanDerWaalsContact C-N 3.35Å; Y611-Q613 PolarHBondContact O-N 3.28Å; Y611-N614 PolarHBondContact O-N 2.86Å; Y611-E615 PolarHBondContact O-N 3Å; Y611-E615 VanDerWaalsContact O-N 3.11Å |
| 612 | A | 57.1 | Low | 52.1 | Low | 7 Ų | 7 | 92 Ų | 92 | 6% | 0.058 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -66.7 | -32.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D608 W609 | D608-A612 PolarHBondContact O-N 3.17Å; W609-A612 PolarHBondContact O-N 3.21Å |
| 613 | Q | 58.5 | Low | 53 | Low | 82 Ų | 82 | 92.6 Ų | 92.6 | 38% | 0.383 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.4 | -41.7 | 175.3 | -172.5 | 116.5 | -54.2 | 0 | 0 | 111.7 | W609 A610 Y611 L616 L617 | W609-Q613 VanDerWaalsContact CZ2-NE2 3.26Å; W609-Q613 WeakPolarHBondContact O-CB 3.48Å; W609-Q613 PolarHBondContact O-N 3.13Å; A610-Q613 PolarHBondContact O-N 3.02Å; Y611-Q613 VanDerWaalsContact C-N 3.35Å; Y611-Q613 PolarHBondContact O-N 3.28Å; Q613-L616 PolarHBondContact O-N 2.98Å; Q613-L617 HydrophobicContact CG-CD1 4.14Å; Q613-L617 WeakPolarHBondContact O-CG 3.32Å; Q613-L617 PolarHBondContact O-N 3.42Å; Q613-L617 VanDerWaalsContact O-N 3.15Å |
| 614 | N | 60.9 | Low | 54 | Low | 92 Ų | 92 | 89.7 Ų | 89.7 | 49% | 0.492 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 179.1 | -72.1 | -23.1 | 0 | 0 | 0 | 112.2 | A610 Y611 L616 L617 E618 | A610-N614 WeakPolarHBondContact O-CB 3.28Å; A610-N614 PolarHBondContact O-N 2.97Å; A610-N614 PolarHBondContact O-ND2 2.89Å; Y611-N614 PolarHBondContact O-N 2.86Å; N614-L616 VanDerWaalsContact C-N 3.27Å; N614-L616 PolarHBondContact O-N 2.82Å; N614-L617 PolarHBondContact O-N 2.85Å; N614-E618 PolarHBondContact O-N 2.96Å |
| 615 | E | 66.8 | Low | 54.6 | Low | 39 Ų | 39 | 90.9 Ų | 90.9 | 18% | 0.182 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -59 | -37 | 175.3 | -174.4 | -173.1 | -107.5 | 0 | 0 | 112.5 | G561 R575 Y611 I619 | G561-E615 WeakPolarHBondContact CA-OE2 3.22Å; G561-E615 PolarHBondContact N-OE2 2.82Å; R575-E615 IonicContact CZ-OE1 2.72Å; R575-E615 IonicContact CZ-OE2 2.71Å; R575-E615 VanDerWaalsContact CZ-OE2 3.28Å; R575-E615 VanDerWaalsContact NH1-CD 3.32Å; R575-E615 IonicContact NH1-OE1 3.74Å; R575-E615 PolarHBondContact NH1-OE1 3.3Å; R575-E615 IonicContact NH1-OE2 2.73Å; R575-E615 PolarHBondContact NH1-OE2 3.22Å; R575-E615 VanDerWaalsContact NH2-CD 3.31Å; R575-E615 IonicContact NH2-OE1 2.67Å; R575-E615 PolarHBondContact NH2-OE1 3.42Å; R575-E615 IonicContact NH2-OE2 3.47Å; R575-E615 PolarHBondContact NH2-OE2 2.88Å; R575-E615 VanDerWaalsContact NH2-OE2 3.11Å; Y611-E615 PolarHBondContact O-N 3Å; Y611-E615 VanDerWaalsContact O-N 3.11Å; E615-I619 HydrophobicContact CG-CD1 4.21Å; E615-I619 WeakPolarHBondContact O-CG1 3.3Å |
| 616 | L | 58.2 | Low | 55.7 | Low | 34 Ų | 34 | 85.1 Ų | 85.1 | 18% | 0.178 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -69.4 | -32.8 | 173.8 | -81.5 | 169.4 | 0 | 0 | 0 | 113.1 | I577 Q613 N614 Q620 | I577-L616 HydrophobicContact CD1-CD1 3.98Å; I577-L616 HydrophobicContact CD1-CD2 4.26Å; I577-L616 HydrophobicContact CD1-CG 4.32Å; Q613-L616 PolarHBondContact O-N 2.98Å; N614-L616 VanDerWaalsContact C-N 3.27Å; N614-L616 PolarHBondContact O-N 2.82Å; L616-Q620 WeakPolarHBondContact O-CG 3.44Å |
| 617 | L | 56.5 | Low | 56.3 | Low | 76 Ų | 76 | 82.9 Ų | 82.9 | 40% | 0.398 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -75.7 | -43.8 | -179.1 | -72.4 | 165.5 | 0 | 0 | 0 | 112 | Q613 N614 I619 L624 | Q613-L617 HydrophobicContact CG-CD1 4.14Å; Q613-L617 WeakPolarHBondContact O-CG 3.32Å; Q613-L617 PolarHBondContact O-N 3.42Å; Q613-L617 VanDerWaalsContact O-N 3.15Å; N614-L617 PolarHBondContact O-N 2.85Å; L617-I619 PolarHBondContact O-N 3.21Å; L617-L624 HydrophobicContact CD2-CD1 3.99Å; L617-L624 HydrophobicContact CD2-CD2 4.16Å |
| 618 | E | 58 | Low | 56.2 | Low | 169 Ų | 169 | 84.6 Ų | 84.6 | 79% | 0.79 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.3 | -39.2 | 179.4 | -70.4 | -169.4 | 152.7 | 0 | 0 | 112.6 | N614 | N614-E618 PolarHBondContact O-N 2.96Å |
| 619 | I | 58.9 | Low | 56.9 | Low | 112 Ų | 112 | 86.2 Ų | 86.2 | 57% | 0.574 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -78.4 | -24.3 | -174.6 | -64.6 | 174.6 | 0 | 0 | 0 | 112.7 | E615 L617 | E615-I619 HydrophobicContact CG-CD1 4.21Å; E615-I619 WeakPolarHBondContact O-CG1 3.3Å; L617-I619 PolarHBondContact O-N 3.21Å |
| 620 | Q | 50.5 | Low | 57.9 | Low | 86 Ų | 86 | 89.1 Ų | 89.1 | 40% | 0.402 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -91 | -11.9 | -176.5 | -67.6 | -174.4 | 27.9 | 0 | 0 | 114.6 | L616 I622 | L616-Q620 WeakPolarHBondContact O-CG 3.44Å; Q620-I622 VanDerWaalsContact C-N 3.27Å; Q620-I622 HydrophobicContact CB-CD1 4.34Å; Q620-I622 PolarHBondContact O-N 3.06Å |
| 621 | G | 47.2 | Very low | 58.4 | Low | 72 Ų | 72 | 92.7 Ų | 92.7 | 74% | 0.742 | 47% | 0.47 | S | S | * | . | trans | 64.9 | 22.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 622 | I | 47.5 | Very low | 58.5 | Low | 87 Ų | 87 | 91.3 Ų | 91.3 | 45% | 0.446 | 47% | 0.471 | S | S | . | . | trans | -88.9 | 127.5 | -177.7 | -68.5 | 164.5 | 0 | 0 | 0 | 109.9 | Q620 L624 E627 | Q620-I622 VanDerWaalsContact C-N 3.27Å; Q620-I622 HydrophobicContact CB-CD1 4.34Å; Q620-I622 PolarHBondContact O-N 3.06Å; I622-L624 VanDerWaalsContact C-N 3.27Å; I622-L624 PolarHBondContact O-N 3.08Å; I622-E627 HydrophobicContact CG2-CB 4.49Å; I622-E627 WeakPolarHBondContact CG2-OE2 3.43Å | ||
| 623 | D | 52.5 | Low | 59.3 | Low | 103 Ų | 103 | 97.8 Ų | 97.8 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | trans | -69.4 | 89.3 | 166.4 | -177.8 | -8 | 0 | 0 | 0 | 109.5 | K625 A626 E627 | D623-K625 PolarHBondContact O-N 3.16Å; D623-K625 VanDerWaalsContact O-N 3.17Å; D623-K625 WeakPolarHBondContact OD1-CA 3.46Å; D623-K625 VanDerWaalsContact OD1-CB 3.26Å; D623-K625 WeakPolarHBondContact OD1-CB 3.35Å; D623-K625 PolarHBondContact OD1-N 2.65Å; D623-A626 HydrophobicContact CB-CB 4.08Å; D623-A626 PolarHBondContact O-N 3.14Å; D623-A626 PolarHBondContact OD1-N 2.66Å; D623-A626 WeakPolarHBondContact OD2-CB 3.48Å; D623-E627 PolarHBondContact O-N 3.22Å | ||
| 624 | L | 49.9 | Very low | 60 | Low | 99 Ų | 99 | 98 Ų | 98 | 52% | 0.518 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.6 | -25 | 179.5 | -147.6 | 77.6 | 0 | 0 | 0 | 112 | L617 I622 M628 | L617-L624 HydrophobicContact CD2-CD1 3.99Å; L617-L624 HydrophobicContact CD2-CD2 4.16Å; I622-L624 VanDerWaalsContact C-N 3.27Å; I622-L624 PolarHBondContact O-N 3.08Å; L624-M628 WeakPolarHBondContact O-CA 3.34Å; L624-M628 WeakPolarHBondContact O-CB 3.4Å; L624-M628 PolarHBondContact O-N 3.39Å |
| 625 | K | 55.1 | Low | 60.3 | Low | 153 Ų | 153 | 100.3 Ų | 100.3 | 67% | 0.665 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -75.9 | -45.1 | 179.3 | -163.8 | 177.6 | -175.8 | 178.9 | 0 | 110.5 | D623 Q629 | D623-K625 PolarHBondContact O-N 3.16Å; D623-K625 VanDerWaalsContact O-N 3.17Å; D623-K625 WeakPolarHBondContact OD1-CA 3.46Å; D623-K625 VanDerWaalsContact OD1-CB 3.26Å; D623-K625 WeakPolarHBondContact OD1-CB 3.35Å; D623-K625 PolarHBondContact OD1-N 2.65Å; K625-Q629 WeakPolarHBondContact O-CB 3.47Å; K625-Q629 VanDerWaalsContact O-CG 3.31Å; K625-Q629 WeakPolarHBondContact O-CG 3.49Å; K625-Q629 PolarHBondContact O-N 3.44Å |
| 626 | A | 62.2 | Low | 60.5 | Low | 52 Ų | 52 | 103 Ų | 103 | 43% | 0.43 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -46.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D623 Q629 K630 | D623-A626 HydrophobicContact CB-CB 4.08Å; D623-A626 PolarHBondContact O-N 3.14Å; D623-A626 PolarHBondContact OD1-N 2.66Å; D623-A626 WeakPolarHBondContact OD2-CB 3.48Å; A626-Q629 PolarHBondContact O-N 2.9Å; A626-K630 WeakPolarHBondContact O-CB 3.35Å; A626-K630 PolarHBondContact O-N 3.48Å |
| 627 | E | 61.3 | Low | 61.4 | Low | 74 Ų | 74 | 108.1 Ų | 108.1 | 35% | 0.346 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.2 | -36.4 | -179.4 | -153.9 | -166.3 | 146.1 | 0 | 0 | 112.2 | I622 D623 K630 K631 | I622-E627 HydrophobicContact CG2-CB 4.49Å; I622-E627 WeakPolarHBondContact CG2-OE2 3.43Å; D623-E627 PolarHBondContact O-N 3.22Å; E627-K630 PolarHBondContact O-N 3.03Å; E627-K631 WeakPolarHBondContact O-CB 3.35Å; E627-K631 PolarHBondContact O-N 3.08Å; E627-K631 VanDerWaalsContact OE1-CE 3.31Å; E627-K631 WeakPolarHBondContact OE1-CE 3.28Å; E627-K631 IonicContact OE1-NZ 2.77Å; E627-K631 PolarHBondContact OE1-NZ 2.87Å |
| 628 | M | 50.6 | Low | 62.2 | Low | 124 Ų | 124 | 110 Ų | 110 | 61% | 0.611 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71.5 | -36.5 | 174.4 | -170 | 175 | 70.5 | 0 | 0 | 112.1 | L624 K630 K631 L632 | L624-M628 WeakPolarHBondContact O-CA 3.34Å; L624-M628 WeakPolarHBondContact O-CB 3.4Å; L624-M628 PolarHBondContact O-N 3.39Å; M628-K630 VanDerWaalsContact C-N 3.34Å; M628-K631 PolarHBondContact O-N 2.77Å; M628-L632 WeakPolarHBondContact O-CB 3.41Å; M628-L632 PolarHBondContact O-N 3.16Å |
| 629 | Q | 67.8 | Low | 62.7 | Low | 121 Ų | 121 | 108.8 Ų | 108.8 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.5 | -39.1 | 171.3 | -77.9 | -170.9 | -81.4 | 0 | 0 | 111.7 | K625 A626 L632 M633 | K625-Q629 WeakPolarHBondContact O-CB 3.47Å; K625-Q629 VanDerWaalsContact O-CG 3.31Å; K625-Q629 WeakPolarHBondContact O-CG 3.49Å; K625-Q629 PolarHBondContact O-N 3.44Å; A626-Q629 PolarHBondContact O-N 2.9Å; Q629-L632 PolarHBondContact O-N 3.44Å; Q629-M633 PolarHBondContact O-N 3.38Å |
| 630 | K | 73.9 | Confident | 63.4 | Low | 119 Ų | 119 | 108.8 Ų | 108.8 | 52% | 0.517 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.9 | -49 | 173.8 | -173.8 | 173.7 | -178 | -76.3 | 0 | 111.4 | A626 E627 M628 L632 M633 E634 | A626-K630 WeakPolarHBondContact O-CB 3.35Å; A626-K630 PolarHBondContact O-N 3.48Å; E627-K630 PolarHBondContact O-N 3.03Å; M628-K630 VanDerWaalsContact C-N 3.34Å; K630-L632 VanDerWaalsContact C-N 3.32Å; K630-L632 PolarHBondContact O-N 3.46Å; K630-M633 PolarHBondContact O-N 2.69Å; K630-E634 WeakPolarHBondContact CE-OE1 3.4Å; K630-E634 IonicContact NZ-OE1 3.78Å; K630-E634 PolarHBondContact NZ-OE1 3.13Å; K630-E634 IonicContact NZ-OE2 3.57Å; K630-E634 WeakPolarHBondContact O-CB 3.43Å; K630-E634 WeakPolarHBondContact O-CG 3.48Å; K630-E634 PolarHBondContact O-N 3.36Å |
| 631 | K | 67.7 | Low | 64.8 | Low | 112 Ų | 112 | 110.4 Ų | 110.4 | 49% | 0.487 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.9 | -31.6 | 175.9 | -81.6 | 170.3 | 169.2 | 161.6 | 0 | 113.4 | E627 M628 M635 | E627-K631 WeakPolarHBondContact O-CB 3.35Å; E627-K631 PolarHBondContact O-N 3.08Å; E627-K631 VanDerWaalsContact OE1-CE 3.31Å; E627-K631 WeakPolarHBondContact OE1-CE 3.28Å; E627-K631 IonicContact OE1-NZ 2.77Å; E627-K631 PolarHBondContact OE1-NZ 2.87Å; M628-K631 PolarHBondContact O-N 2.77Å; K631-M635 WeakPolarHBondContact O-CB 3.22Å; K631-M635 WeakPolarHBondContact O-CG 3.33Å; K631-M635 PolarHBondContact O-N 2.79Å |
| 632 | L | 67.9 | Low | 65.9 | Low | 104 Ų | 104 | 111.2 Ų | 111.2 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.6 | -42.5 | 173.9 | -165.9 | 81 | 0 | 0 | 0 | 110.7 | M628 Q629 K630 M635 E636 | M628-L632 WeakPolarHBondContact O-CB 3.41Å; M628-L632 PolarHBondContact O-N 3.16Å; Q629-L632 PolarHBondContact O-N 3.44Å; K630-L632 VanDerWaalsContact C-N 3.32Å; K630-L632 PolarHBondContact O-N 3.46Å; L632-M635 PolarHBondContact O-N 3.19Å; L632-E636 VanDerWaalsContact O-CB 3.28Å; L632-E636 WeakPolarHBondContact O-CB 3.31Å; L632-E636 PolarHBondContact O-N 3.16Å |
| 633 | M | 72.7 | Confident | 67.2 | Low | 143 Ų | 143 | 113.2 Ų | 113.2 | 70% | 0.704 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.4 | -45.1 | 172.1 | -79.2 | -172.1 | 168.4 | 0 | 0 | 112 | Q629 K630 M635 E636 E637 | Q629-M633 PolarHBondContact O-N 3.38Å; K630-M633 PolarHBondContact O-N 2.69Å; M633-M635 PolarHBondContact O-N 3.17Å; M633-E636 PolarHBondContact O-N 2.76Å; M633-E637 VanDerWaalsContact O-CB 3.24Å; M633-E637 WeakPolarHBondContact O-CB 3.27Å; M633-E637 PolarHBondContact O-N 2.78Å |
| 634 | E | 74.8 | Confident | 68.2 | Low | 88 Ų | 88 | 113.8 Ų | 113.8 | 41% | 0.411 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 176.7 | -72.5 | 170.9 | 165 | 0 | 0 | 111.3 | K630 Q638 | K630-E634 WeakPolarHBondContact CE-OE1 3.4Å; K630-E634 IonicContact NZ-OE1 3.78Å; K630-E634 PolarHBondContact NZ-OE1 3.13Å; K630-E634 IonicContact NZ-OE2 3.57Å; K630-E634 WeakPolarHBondContact O-CB 3.43Å; K630-E634 WeakPolarHBondContact O-CG 3.48Å; K630-E634 PolarHBondContact O-N 3.36Å; E634-Q638 WeakPolarHBondContact O-CB 3.22Å; E634-Q638 PolarHBondContact O-N 2.92Å |
| 635 | M | 66.6 | Low | 69.4 | Low | 140 Ų | 140 | 113.9 Ų | 113.9 | 69% | 0.69 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.9 | -40.9 | 173.8 | -78 | -99.2 | -69.3 | 0 | 0 | 113.1 | K631 L632 M633 Y639 | K631-M635 WeakPolarHBondContact O-CB 3.22Å; K631-M635 WeakPolarHBondContact O-CG 3.33Å; K631-M635 PolarHBondContact O-N 2.79Å; L632-M635 PolarHBondContact O-N 3.19Å; M633-M635 PolarHBondContact O-N 3.17Å; M635-Y639 WeakPolarHBondContact O-CB 3.26Å; M635-Y639 PolarHBondContact O-N 3.09Å |
| 636 | E | 70.8 | Confident | 70.1 | Confident | 96 Ų | 96 | 114.3 Ų | 114.3 | 45% | 0.449 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 176.8 | -90.4 | -160.6 | -153.8 | 0 | 0 | 111.8 | L632 M633 K640 | L632-E636 VanDerWaalsContact O-CB 3.28Å; L632-E636 WeakPolarHBondContact O-CB 3.31Å; L632-E636 PolarHBondContact O-N 3.16Å; M633-E636 PolarHBondContact O-N 2.76Å; E636-K640 WeakPolarHBondContact O-CB 3.47Å; E636-K640 WeakPolarHBondContact O-CD 3.34Å; E636-K640 WeakPolarHBondContact O-CG 3.46Å; E636-K640 PolarHBondContact O-N 3.15Å; E636-K640 IonicContact OE2-NZ 2.83Å; E636-K640 PolarHBondContact OE2-NZ 2.99Å |
| 637 | E | 76.7 | Confident | 70.6 | Confident | 140 Ų | 140 | 114.6 Ų | 114.6 | 65% | 0.654 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.7 | -43.5 | 176.7 | -174.5 | 165.6 | -136.8 | 0 | 0 | 110.3 | M633 K640 K641 | M633-E637 VanDerWaalsContact O-CB 3.24Å; M633-E637 WeakPolarHBondContact O-CB 3.27Å; M633-E637 PolarHBondContact O-N 2.78Å; E637-K640 PolarHBondContact O-N 3.2Å; E637-K641 WeakPolarHBondContact O-CB 3.39Å; E637-K641 PolarHBondContact O-N 2.82Å |
| 638 | Q | 74.2 | Confident | 71.4 | Confident | 115 Ų | 115 | 115.2 Ų | 115.2 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 174.3 | -174 | 168.2 | -21.4 | 0 | 0 | 111.9 | E634 K641 E642 | E634-Q638 WeakPolarHBondContact O-CB 3.22Å; E634-Q638 PolarHBondContact O-N 2.92Å; Q638-K641 CarbonylContact O-C 3.42Å; Q638-K641 PolarHBondContact O-N 3.39Å; Q638-E642 HydrophobicContact CG-CG 4.4Å; Q638-E642 WeakPolarHBondContact CG-OE1 3.28Å; Q638-E642 PolarHBondContact NE2-OE1 2.66Å; Q638-E642 WeakPolarHBondContact O-CB 3.41Å; Q638-E642 WeakPolarHBondContact O-CG 3.45Å; Q638-E642 PolarHBondContact O-N 2.91Å |
| 639 | Y | 68.5 | Low | 72.6 | Confident | 145 Ų | 145 | 111.2 Ų | 111.2 | 57% | 0.569 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.3 | -39.1 | 173.8 | 179.6 | -100.7 | 0 | 0 | 0 | 112.4 | M635 K641 K643 | M635-Y639 WeakPolarHBondContact O-CB 3.26Å; M635-Y639 PolarHBondContact O-N 3.09Å; Y639-K641 VanDerWaalsContact C-N 3.28Å; Y639-K641 PolarHBondContact O-N 3.38Å; Y639-K643 HydrophobicContact CE1-CD 4.05Å; Y639-K643 WeakPolarHBondContact O-CB 3.39Å; Y639-K643 PolarHBondContact O-N 2.66Å |
| 640 | K | 73.2 | Confident | 72.9 | Confident | 111 Ų | 111 | 112.2 Ų | 112.2 | 48% | 0.483 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 170.7 | -80.6 | 161.3 | -180 | 147.2 | 0 | 110.4 | E636 E637 Q644 | E636-K640 WeakPolarHBondContact O-CB 3.47Å; E636-K640 WeakPolarHBondContact O-CD 3.34Å; E636-K640 WeakPolarHBondContact O-CG 3.46Å; E636-K640 PolarHBondContact O-N 3.15Å; E636-K640 IonicContact OE2-NZ 2.83Å; E636-K640 PolarHBondContact OE2-NZ 2.99Å; E637-K640 PolarHBondContact O-N 3.2Å; K640-Q644 VanDerWaalsContact O-CB 3.24Å; K640-Q644 WeakPolarHBondContact O-CB 3.26Å; K640-Q644 WeakPolarHBondContact O-CG 3.48Å; K640-Q644 PolarHBondContact O-N 2.57Å |
| 641 | K | 79.2 | Confident | 72.8 | Confident | 121 Ų | 121 | 109.6 Ų | 109.6 | 53% | 0.526 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.7 | -47.8 | 179.6 | -166.3 | 175.6 | -175.8 | -179.6 | 0 | 112.1 | E637 Q638 Y639 K643 Q644 E645 | E637-K641 WeakPolarHBondContact O-CB 3.39Å; E637-K641 PolarHBondContact O-N 2.82Å; Q638-K641 CarbonylContact O-C 3.42Å; Q638-K641 PolarHBondContact O-N 3.39Å; Y639-K641 VanDerWaalsContact C-N 3.28Å; Y639-K641 PolarHBondContact O-N 3.38Å; K641-K643 VanDerWaalsContact C-N 3.34Å; K641-K643 PolarHBondContact O-N 2.48Å; K641-Q644 CarbonylContact O-C 3.55Å; K641-Q644 PolarHBondContact O-N 2.83Å; K641-E645 WeakPolarHBondContact O-CB 3.36Å; K641-E645 WeakPolarHBondContact O-CG 3.48Å; K641-E645 PolarHBondContact O-N 2.97Å |
| 642 | E | 71.2 | Confident | 73.3 | Confident | 89 Ų | 89 | 111.4 Ų | 111.4 | 42% | 0.416 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 173.2 | -74.5 | 176.7 | -160.6 | 0 | 0 | 111.5 | Q638 E645 F646 | Q638-E642 HydrophobicContact CG-CG 4.4Å; Q638-E642 WeakPolarHBondContact CG-OE1 3.28Å; Q638-E642 PolarHBondContact NE2-OE1 2.66Å; Q638-E642 WeakPolarHBondContact O-CB 3.41Å; Q638-E642 WeakPolarHBondContact O-CG 3.45Å; Q638-E642 PolarHBondContact O-N 2.91Å; E642-E645 PolarHBondContact O-N 2.83Å; E642-F646 WeakPolarHBondContact O-CB 3.23Å; E642-F646 PolarHBondContact O-N 3.25Å |
| 643 | K | 73.7 | Confident | 73.5 | Confident | 128 Ų | 128 | 111.7 Ų | 111.7 | 56% | 0.557 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.5 | -37.9 | 173.7 | -177.1 | 173.5 | 178.1 | 176.8 | 0 | 112.2 | Y639 K641 A647 | Y639-K643 HydrophobicContact CE1-CD 4.05Å; Y639-K643 WeakPolarHBondContact O-CB 3.39Å; Y639-K643 PolarHBondContact O-N 2.66Å; K641-K643 VanDerWaalsContact C-N 3.34Å; K641-K643 PolarHBondContact O-N 2.48Å; K643-A647 WeakPolarHBondContact O-CB 3.39Å; K643-A647 PolarHBondContact O-N 3.44Å |
| 644 | Q | 73.6 | Confident | 73.5 | Confident | 116 Ų | 116 | 108.5 Ų | 108.5 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.4 | -35.1 | 171.9 | -80.4 | 177.5 | 7 | 0 | 0 | 111.9 | K640 K641 M648 | K640-Q644 VanDerWaalsContact O-CB 3.24Å; K640-Q644 WeakPolarHBondContact O-CB 3.26Å; K640-Q644 WeakPolarHBondContact O-CG 3.48Å; K640-Q644 PolarHBondContact O-N 2.57Å; K641-Q644 CarbonylContact O-C 3.55Å; K641-Q644 PolarHBondContact O-N 2.83Å; Q644-M648 HydrophobicContact CB-CE 4Å; Q644-M648 WeakPolarHBondContact O-CB 3.26Å; Q644-M648 WeakPolarHBondContact O-CE 3.39Å; Q644-M648 VanDerWaalsContact O-CG 3.25Å; Q644-M648 WeakPolarHBondContact O-CG 3.49Å; Q644-M648 PolarHBondContact O-N 3.42Å |
| 645 | E | 74.9 | Confident | 73.7 | Confident | 100 Ų | 100 | 109.7 Ų | 109.7 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.4 | -39.7 | 177 | -77.5 | 177 | -164.3 | 0 | 0 | 111.3 | K641 E642 M648 A649 | K641-E645 WeakPolarHBondContact O-CB 3.36Å; K641-E645 WeakPolarHBondContact O-CG 3.48Å; K641-E645 PolarHBondContact O-N 2.97Å; E642-E645 PolarHBondContact O-N 2.83Å; E645-M648 CarbonylContact O-C 3.54Å; E645-M648 PolarHBondContact O-N 3.24Å; E645-A649 WeakPolarHBondContact O-CA 3.25Å; E645-A649 WeakPolarHBondContact O-CB 3.45Å; E645-A649 PolarHBondContact O-N 3.34Å |
| 646 | F | 69.8 | Low | 74.2 | Confident | 163 Ų | 163 | 107.2 Ų | 107.2 | 72% | 0.715 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.8 | -42.2 | 168.6 | -97.8 | -79.1 | 0 | 0 | 0 | 112.1 | E642 A649 F650 | E642-F646 WeakPolarHBondContact O-CB 3.23Å; E642-F646 PolarHBondContact O-N 3.25Å; F646-A649 PolarHBondContact O-N 2.84Å; F646-F650 VanDerWaalsContact O-CB 3.28Å; F646-F650 WeakPolarHBondContact O-CB 3.36Å; F646-F650 PolarHBondContact O-N 3.46Å |
| 647 | A | 73.3 | Confident | 74 | Confident | 57 Ų | 57 | 109.3 Ų | 109.3 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K643 E651 | K643-A647 WeakPolarHBondContact O-CB 3.39Å; K643-A647 PolarHBondContact O-N 3.44Å; A647-E651 WeakPolarHBondContact O-CB 3.38Å; A647-E651 PolarHBondContact O-N 3.03Å |
| 648 | M | 77.4 | Confident | 73.8 | Confident | 87 Ų | 87 | 107 Ų | 107 | 43% | 0.429 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.5 | -28.3 | 173.6 | -77.2 | -172.4 | -94.5 | 0 | 0 | 112.7 | Q644 E645 R652 | Q644-M648 HydrophobicContact CB-CE 4Å; Q644-M648 WeakPolarHBondContact O-CB 3.26Å; Q644-M648 WeakPolarHBondContact O-CE 3.39Å; Q644-M648 VanDerWaalsContact O-CG 3.25Å; Q644-M648 WeakPolarHBondContact O-CG 3.49Å; Q644-M648 PolarHBondContact O-N 3.42Å; E645-M648 CarbonylContact O-C 3.54Å; E645-M648 PolarHBondContact O-N 3.24Å; M648-R652 WeakPolarHBondContact O-CA 3.31Å; M648-R652 WeakPolarHBondContact O-CB 3.31Å; M648-R652 WeakPolarHBondContact O-CG 3.2Å; M648-R652 PolarHBondContact O-N 3.14Å; M648-R652 PolarHBondContact O-NH1 3.24Å |
| 649 | A | 76.6 | Confident | 74 | Confident | 40 Ų | 40 | 107 Ų | 107 | 33% | 0.331 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -74 | -40.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E645 F646 R652 Q653 | E645-A649 WeakPolarHBondContact O-CA 3.25Å; E645-A649 WeakPolarHBondContact O-CB 3.45Å; E645-A649 PolarHBondContact O-N 3.34Å; F646-A649 PolarHBondContact O-N 2.84Å; A649-R652 PolarHBondContact O-N 3.37Å; A649-Q653 WeakPolarHBondContact O-CB 3.38Å; A649-Q653 WeakPolarHBondContact O-CG 3.24Å; A649-Q653 PolarHBondContact O-N 3.49Å |
| 650 | F | 73.9 | Confident | 74.1 | Confident | 142 Ų | 142 | 106.2 Ų | 106.2 | 62% | 0.623 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.5 | -44.4 | 172.1 | -175.6 | -97.1 | 0 | 0 | 0 | 111.3 | F646 R652 Q653 K654 | F646-F650 VanDerWaalsContact O-CB 3.28Å; F646-F650 WeakPolarHBondContact O-CB 3.36Å; F646-F650 PolarHBondContact O-N 3.46Å; F650-R652 VanDerWaalsContact C-N 3.34Å; F650-R652 PolarHBondContact O-N 2.97Å; F650-Q653 PolarHBondContact O-N 3.46Å; F650-K654 WeakPolarHBondContact O-CB 3.35Å; F650-K654 PolarHBondContact O-N 3.36Å |
| 651 | E | 72.4 | Confident | 74 | Confident | 65 Ų | 65 | 105.5 Ų | 105.5 | 30% | 0.304 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71 | -28.4 | 176.5 | -163.7 | 67.1 | -155.1 | 0 | 0 | 111.6 | A647 K654 K655 | A647-E651 WeakPolarHBondContact O-CB 3.38Å; A647-E651 PolarHBondContact O-N 3.03Å; E651-K654 IonicContact OE1-NZ 3.78Å; E651-K654 PolarHBondContact OE1-NZ 2.63Å; E651-K654 IonicContact OE2-NZ 2.65Å; E651-K654 PolarHBondContact OE2-NZ 2.81Å; E651-K655 HydrophobicContact CG-CD 4.34Å; E651-K655 WeakPolarHBondContact O-CB 3.47Å; E651-K655 WeakPolarHBondContact O-CG 3.48Å; E651-K655 PolarHBondContact O-N 2.66Å |
| 652 | R | 78.4 | Confident | 73.7 | Confident | 150 Ų | 150 | 104.2 Ų | 104.2 | 57% | 0.566 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.9 | -48.4 | 167.2 | -81.7 | 177.4 | -153.9 | 108.4 | -4.5 | 111.3 | M648 A649 F650 K654 K655 E656 | M648-R652 WeakPolarHBondContact O-CA 3.31Å; M648-R652 WeakPolarHBondContact O-CB 3.31Å; M648-R652 WeakPolarHBondContact O-CG 3.2Å; M648-R652 PolarHBondContact O-N 3.14Å; M648-R652 PolarHBondContact O-NH1 3.24Å; A649-R652 PolarHBondContact O-N 3.37Å; F650-R652 VanDerWaalsContact C-N 3.34Å; F650-R652 PolarHBondContact O-N 2.97Å; R652-K654 VanDerWaalsContact C-N 3.35Å; R652-K655 CarbonylContact O-C 3.5Å; R652-K655 PolarHBondContact O-N 3.36Å; R652-E656 VanDerWaalsContact O-CB 3.24Å; R652-E656 WeakPolarHBondContact O-CB 3.45Å; R652-E656 PolarHBondContact O-N 2.85Å |
| 653 | Q | 70.9 | Confident | 73.8 | Confident | 110 Ų | 110 | 103 Ų | 103 | 51% | 0.514 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 176.4 | -81.1 | -172.1 | -13.1 | 0 | 0 | 110.9 | A649 F650 E656 Y657 | A649-Q653 WeakPolarHBondContact O-CB 3.38Å; A649-Q653 WeakPolarHBondContact O-CG 3.24Å; A649-Q653 PolarHBondContact O-N 3.49Å; F650-Q653 PolarHBondContact O-N 3.46Å; Q653-E656 CarbonylContact O-C 3.58Å; Q653-E656 PolarHBondContact O-N 3.15Å; Q653-Y657 HydrophobicContact CB-CD2 4.43Å; Q653-Y657 HydrophobicContact CB-CE2 4.4Å; Q653-Y657 WeakPolarHBondContact O-CB 3.39Å; Q653-Y657 WeakPolarHBondContact O-CD2 3.45Å; Q653-Y657 PolarHBondContact O-N 2.95Å |
| 654 | K | 74.1 | Confident | 73.5 | Confident | 75 Ų | 75 | 101.7 Ų | 101.7 | 33% | 0.326 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.1 | -49.9 | 172.1 | 178 | -171.2 | 152 | -152.6 | 0 | 110.5 | F650 E651 R652 E656 Y657 E658 | F650-K654 WeakPolarHBondContact O-CB 3.35Å; F650-K654 PolarHBondContact O-N 3.36Å; E651-K654 IonicContact OE1-NZ 3.78Å; E651-K654 PolarHBondContact OE1-NZ 2.63Å; E651-K654 IonicContact OE2-NZ 2.65Å; E651-K654 PolarHBondContact OE2-NZ 2.81Å; R652-K654 VanDerWaalsContact C-N 3.35Å; K654-E656 VanDerWaalsContact C-N 3.3Å; K654-E656 PolarHBondContact O-N 2.65Å; K654-Y657 CarbonylContact O-C 3.59Å; K654-Y657 PolarHBondContact O-N 3.27Å; K654-E658 WeakPolarHBondContact CE-OE1 3.4Å; K654-E658 HydrophobicContact CG-CG 4.35Å; K654-E658 WeakPolarHBondContact O-CB 3.35Å; K654-E658 VanDerWaalsContact O-CG 3.27Å; K654-E658 WeakPolarHBondContact O-CG 3.27Å; K654-E658 PolarHBondContact O-N 3.13Å |
| 655 | K | 78.1 | Confident | 73.2 | Confident | 113 Ų | 113 | 101.1 Ų | 101.1 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68 | -23.8 | 175.7 | -75.4 | 174.8 | 179.6 | 179.4 | 0 | 114.3 | E651 R652 M659 | E651-K655 HydrophobicContact CG-CD 4.34Å; E651-K655 WeakPolarHBondContact O-CB 3.47Å; E651-K655 WeakPolarHBondContact O-CG 3.48Å; E651-K655 PolarHBondContact O-N 2.66Å; R652-K655 CarbonylContact O-C 3.5Å; R652-K655 PolarHBondContact O-N 3.36Å; K655-M659 WeakPolarHBondContact O-CA 3.47Å; K655-M659 WeakPolarHBondContact O-CB 3.22Å; K655-M659 VanDerWaalsContact O-CG 3.3Å; K655-M659 WeakPolarHBondContact O-CG 3.44Å; K655-M659 PolarHBondContact O-N 3.25Å |
| 656 | E | 76.9 | Confident | 73 | Confident | 88 Ų | 88 | 101.5 Ų | 101.5 | 41% | 0.411 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -81.3 | -31.3 | 173.7 | -162.7 | -168.5 | 160 | 0 | 0 | 110.9 | R652 Q653 K654 R660 | R652-E656 VanDerWaalsContact O-CB 3.24Å; R652-E656 WeakPolarHBondContact O-CB 3.45Å; R652-E656 PolarHBondContact O-N 2.85Å; Q653-E656 CarbonylContact O-C 3.58Å; Q653-E656 PolarHBondContact O-N 3.15Å; K654-E656 VanDerWaalsContact C-N 3.3Å; K654-E656 PolarHBondContact O-N 2.65Å; E656-R660 VanDerWaalsContact CD-NH1 3.26Å; E656-R660 WeakPolarHBondContact O-CB 3.46Å; E656-R660 VanDerWaalsContact O-CG 3.29Å; E656-R660 WeakPolarHBondContact O-CG 3.48Å; E656-R660 PolarHBondContact O-N 3.48Å; E656-R660 IonicContact OE1-CZ 2.62Å; E656-R660 IonicContact OE1-NH1 2.75Å; E656-R660 PolarHBondContact OE1-NH1 2.93Å; E656-R660 IonicContact OE1-NH2 3.43Å; E656-R660 PolarHBondContact OE1-NH2 3.03Å |
| 657 | Y | 68 | Low | 72.7 | Confident | 141 Ų | 141 | 99.4 Ų | 99.4 | 55% | 0.553 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -75 | -40.1 | 168.6 | -76 | -58.1 | 0 | 0 | 0 | 111.6 | Q653 K654 R660 I661 | Q653-Y657 HydrophobicContact CB-CD2 4.43Å; Q653-Y657 HydrophobicContact CB-CE2 4.4Å; Q653-Y657 WeakPolarHBondContact O-CB 3.39Å; Q653-Y657 WeakPolarHBondContact O-CD2 3.45Å; Q653-Y657 PolarHBondContact O-N 2.95Å; K654-Y657 CarbonylContact O-C 3.59Å; K654-Y657 PolarHBondContact O-N 3.27Å; Y657-R660 CarbonylContact O-C 3.58Å; Y657-R660 PolarHBondContact O-N 3.19Å; Y657-I661 WeakPolarHBondContact O-CB 3.3Å; Y657-I661 WeakPolarHBondContact O-CD1 3.44Å; Y657-I661 WeakPolarHBondContact O-CG1 3.09Å; Y657-I661 PolarHBondContact O-N 3.01Å |
| 658 | E | 72.3 | Confident | 72 | Confident | 92 Ų | 92 | 100.4 Ų | 100.4 | 43% | 0.43 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.1 | -45.5 | 172.1 | -72.9 | 168.1 | 163.3 | 0 | 0 | 109.7 | K654 R660 I661 E662 | K654-E658 WeakPolarHBondContact CE-OE1 3.4Å; K654-E658 HydrophobicContact CG-CG 4.35Å; K654-E658 WeakPolarHBondContact O-CB 3.35Å; K654-E658 VanDerWaalsContact O-CG 3.27Å; K654-E658 WeakPolarHBondContact O-CG 3.27Å; K654-E658 PolarHBondContact O-N 3.13Å; E658-R660 PolarHBondContact O-N 3.13Å; E658-I661 CarbonylContact O-C 3.42Å; E658-I661 PolarHBondContact O-N 2.87Å; E658-E662 WeakPolarHBondContact O-CA 3.48Å; E658-E662 WeakPolarHBondContact O-CB 3.19Å; E658-E662 PolarHBondContact O-N 3.3Å |
| 659 | M | 76.9 | Confident | 71 | Confident | 114 Ų | 114 | 100 Ų | 100 | 56% | 0.562 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.7 | -34 | 170.4 | -81.4 | -167.2 | -65.5 | 0 | 0 | 112.5 | K655 T663 | K655-M659 WeakPolarHBondContact O-CA 3.47Å; K655-M659 WeakPolarHBondContact O-CB 3.22Å; K655-M659 VanDerWaalsContact O-CG 3.3Å; K655-M659 WeakPolarHBondContact O-CG 3.44Å; K655-M659 PolarHBondContact O-N 3.25Å; M659-T663 WeakPolarHBondContact O-CA 3.2Å; M659-T663 WeakPolarHBondContact O-CB 3.22Å; M659-T663 PolarHBondContact O-N 3.12Å; M659-T663 PolarHBondContact O-OG1 2.69Å |
| 660 | R | 72.1 | Confident | 70.1 | Confident | 129 Ų | 129 | 102.9 Ų | 102.9 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.4 | -36.9 | 172.7 | -84.7 | -165.2 | -174.6 | 90.4 | 12 | 111.8 | E656 Y657 E658 L664 | E656-R660 VanDerWaalsContact CD-NH1 3.26Å; E656-R660 WeakPolarHBondContact O-CB 3.46Å; E656-R660 VanDerWaalsContact O-CG 3.29Å; E656-R660 WeakPolarHBondContact O-CG 3.48Å; E656-R660 PolarHBondContact O-N 3.48Å; E656-R660 IonicContact OE1-CZ 2.62Å; E656-R660 IonicContact OE1-NH1 2.75Å; E656-R660 PolarHBondContact OE1-NH1 2.93Å; E656-R660 IonicContact OE1-NH2 3.43Å; E656-R660 PolarHBondContact OE1-NH2 3.03Å; Y657-R660 CarbonylContact O-C 3.58Å; Y657-R660 PolarHBondContact O-N 3.19Å; E658-R660 PolarHBondContact O-N 3.13Å; R660-L664 WeakPolarHBondContact O-CA 3.39Å; R660-L664 WeakPolarHBondContact O-CB 3.38Å; R660-L664 WeakPolarHBondContact O-CD1 3.3Å; R660-L664 WeakPolarHBondContact O-CG 3.36Å; R660-L664 PolarHBondContact O-N 3.14Å |
| 661 | I | 69.5 | Low | 68.8 | Low | 95 Ų | 95 | 98.1 Ų | 98.1 | 49% | 0.487 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -71 | -40.7 | 176.3 | -74.1 | 162.8 | 0 | 0 | 0 | 109.8 | Y657 E658 L664 Q665 | Y657-I661 WeakPolarHBondContact O-CB 3.3Å; Y657-I661 WeakPolarHBondContact O-CD1 3.44Å; Y657-I661 WeakPolarHBondContact O-CG1 3.09Å; Y657-I661 PolarHBondContact O-N 3.01Å; E658-I661 CarbonylContact O-C 3.42Å; E658-I661 PolarHBondContact O-N 2.87Å; I661-L664 CarbonylContact O-C 3.54Å; I661-L664 PolarHBondContact O-N 3.44Å; I661-Q665 VanDerWaalsContact CG2-OE1 3.24Å; I661-Q665 WeakPolarHBondContact O-CA 3.43Å; I661-Q665 WeakPolarHBondContact O-CB 3.41Å; I661-Q665 VanDerWaalsContact O-CG 3.27Å; I661-Q665 WeakPolarHBondContact O-CG 3.48Å; I661-Q665 PolarHBondContact O-N 2.75Å |
| 662 | E | 74 | Confident | 67.4 | Low | 94 Ų | 94 | 100.1 Ų | 100.1 | 44% | 0.439 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -78.5 | -24.1 | 177.6 | -159.3 | -139 | -163.4 | 0 | 0 | 112 | E658 K666 | E658-E662 WeakPolarHBondContact O-CA 3.48Å; E658-E662 WeakPolarHBondContact O-CB 3.19Å; E658-E662 PolarHBondContact O-N 3.3Å; E662-K666 VanDerWaalsContact CD-CE 3.41Å; E662-K666 HydrophobicContact CG-CD 4.47Å; E662-K666 WeakPolarHBondContact O-CA 3.25Å; E662-K666 WeakPolarHBondContact O-CB 3.45Å; E662-K666 WeakPolarHBondContact O-CD 3.26Å; E662-K666 WeakPolarHBondContact O-CG 3.34Å; E662-K666 PolarHBondContact O-N 2.85Å; E662-K666 VanDerWaalsContact OE1-CE 3.23Å; E662-K666 WeakPolarHBondContact OE1-CE 3.44Å; E662-K666 IonicContact OE1-NZ 3.86Å; E662-K666 PolarHBondContact OE1-NZ 2.9Å; E662-K666 IonicContact OE2-NZ 3.72Å; E662-K666 PolarHBondContact OE2-NZ 2.86Å |
| 663 | T | 72.2 | Confident | 65.6 | Low | 65 Ų | 65 | 95.7 Ų | 95.7 | 40% | 0.399 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -83.8 | -29.7 | 169 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | M659 Q667 | M659-T663 WeakPolarHBondContact O-CA 3.2Å; M659-T663 WeakPolarHBondContact O-CB 3.22Å; M659-T663 PolarHBondContact O-N 3.12Å; M659-T663 PolarHBondContact O-OG1 2.69Å; T663-Q667 WeakPolarHBondContact O-CA 3.38Å; T663-Q667 WeakPolarHBondContact O-CB 3.37Å; T663-Q667 WeakPolarHBondContact O-CG 3.29Å; T663-Q667 PolarHBondContact O-N 3.01Å |
| 664 | L | 67.4 | Low | 64 | Low | 100 Ų | 100 | 95.9 Ų | 95.9 | 52% | 0.524 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -76.2 | -34.6 | 169.5 | -76.2 | 167.7 | 0 | 0 | 0 | 111.1 | R660 I661 Q667 V668 | R660-L664 WeakPolarHBondContact O-CA 3.39Å; R660-L664 WeakPolarHBondContact O-CB 3.38Å; R660-L664 WeakPolarHBondContact O-CD1 3.3Å; R660-L664 WeakPolarHBondContact O-CG 3.36Å; R660-L664 PolarHBondContact O-N 3.14Å; I661-L664 CarbonylContact O-C 3.54Å; I661-L664 PolarHBondContact O-N 3.44Å; L664-Q667 CarbonylContact O-C 3.6Å; L664-Q667 PolarHBondContact O-N 3.47Å; L664-V668 WeakPolarHBondContact O-CB 3.43Å; L664-V668 WeakPolarHBondContact O-CG2 3.16Å; L664-V668 PolarHBondContact O-N 3.4Å |
| 665 | Q | 68.2 | Low | 62.3 | Low | 104 Ų | 104 | 97.4 Ų | 97.4 | 49% | 0.486 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.5 | -53.1 | 168.3 | -79.5 | -178.3 | -94.8 | 0 | 0 | 108.4 | I661 Q667 V668 D669 | I661-Q665 VanDerWaalsContact CG2-OE1 3.24Å; I661-Q665 WeakPolarHBondContact O-CA 3.43Å; I661-Q665 WeakPolarHBondContact O-CB 3.41Å; I661-Q665 VanDerWaalsContact O-CG 3.27Å; I661-Q665 WeakPolarHBondContact O-CG 3.48Å; I661-Q665 PolarHBondContact O-N 2.75Å; Q665-Q667 PolarHBondContact O-N 3.42Å; Q665-Q667 VanDerWaalsContact O-N 3.08Å; Q665-V668 CarbonylContact O-C 3.49Å; Q665-V668 WeakPolarHBondContact O-CA 3.49Å; Q665-V668 PolarHBondContact O-N 3.47Å; Q665-D669 VanDerWaalsContact C-OD2 3.22Å; Q665-D669 WeakPolarHBondContact O-CA 3.09Å; Q665-D669 WeakPolarHBondContact O-CB 2.86Å; Q665-D669 PolarHBondContact O-N 3.01Å; Q665-D669 VanDerWaalsContact O-OD2 3.1Å |
| 666 | K | 70.4 | Confident | 60.2 | Low | 108 Ų | 108 | 93.6 Ų | 93.6 | 47% | 0.47 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -55.4 | -32.2 | 169.7 | -73.2 | 164.3 | -173.9 | 166.3 | 0 | 113.1 | E662 L670 | E662-K666 VanDerWaalsContact CD-CE 3.41Å; E662-K666 HydrophobicContact CG-CD 4.47Å; E662-K666 WeakPolarHBondContact O-CA 3.25Å; E662-K666 WeakPolarHBondContact O-CB 3.45Å; E662-K666 WeakPolarHBondContact O-CD 3.26Å; E662-K666 WeakPolarHBondContact O-CG 3.34Å; E662-K666 PolarHBondContact O-N 2.85Å; E662-K666 VanDerWaalsContact OE1-CE 3.23Å; E662-K666 WeakPolarHBondContact OE1-CE 3.44Å; E662-K666 IonicContact OE1-NZ 3.86Å; E662-K666 PolarHBondContact OE1-NZ 2.9Å; E662-K666 IonicContact OE2-NZ 3.72Å; E662-K666 PolarHBondContact OE2-NZ 2.86Å; K666-L670 WeakPolarHBondContact O-CA 3.13Å; K666-L670 WeakPolarHBondContact O-CB 3.28Å; K666-L670 PolarHBondContact O-N 3.28Å |
| 667 | Q | 64.1 | Low | 57.9 | Low | 119 Ų | 119 | 92.9 Ų | 92.9 | 56% | 0.556 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -76.5 | -27.3 | 171.7 | -78.6 | 172.6 | 16.3 | 0 | 0 | 113.5 | T663 L664 Q665 A671 | T663-Q667 WeakPolarHBondContact O-CA 3.38Å; T663-Q667 WeakPolarHBondContact O-CB 3.37Å; T663-Q667 WeakPolarHBondContact O-CG 3.29Å; T663-Q667 PolarHBondContact O-N 3.01Å; L664-Q667 CarbonylContact O-C 3.6Å; L664-Q667 PolarHBondContact O-N 3.47Å; Q665-Q667 PolarHBondContact O-N 3.42Å; Q665-Q667 VanDerWaalsContact O-N 3.08Å; Q667-A671 WeakPolarHBondContact O-CA 3.48Å; Q667-A671 WeakPolarHBondContact O-CB 3.14Å; Q667-A671 PolarHBondContact O-N 2.96Å |
| 668 | V | 57.8 | Low | 56.1 | Low | 77 Ų | 77 | 90.9 Ų | 90.9 | 47% | 0.467 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -84.1 | -30.8 | 175.2 | 164 | 0 | 0 | 0 | 0 | 111.4 | L664 Q665 Q672 | L664-V668 WeakPolarHBondContact O-CB 3.43Å; L664-V668 WeakPolarHBondContact O-CG2 3.16Å; L664-V668 PolarHBondContact O-N 3.4Å; Q665-V668 CarbonylContact O-C 3.49Å; Q665-V668 WeakPolarHBondContact O-CA 3.49Å; Q665-V668 PolarHBondContact O-N 3.47Å; V668-Q672 WeakPolarHBondContact O-CA 3.34Å; V668-Q672 WeakPolarHBondContact O-CB 3.42Å; V668-Q672 WeakPolarHBondContact O-CG 3.16Å; V668-Q672 PolarHBondContact O-N 3.48Å; V668-Q672 PolarHBondContact O-OE1 3.4Å |
| 669 | D | 56.5 | Low | 54 | Low | 78 Ų | 78 | 88.7 Ų | 88.7 | 42% | 0.417 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -89.4 | -23.2 | 179.6 | -61.2 | -31 | 0 | 0 | 0 | 111.2 | Q665 Q672 S673 | Q665-D669 VanDerWaalsContact C-OD2 3.22Å; Q665-D669 WeakPolarHBondContact O-CA 3.09Å; Q665-D669 WeakPolarHBondContact O-CB 2.86Å; Q665-D669 PolarHBondContact O-N 3.01Å; Q665-D669 VanDerWaalsContact O-OD2 3.1Å; D669-Q672 CarbonylContact O-C 3.6Å; D669-S673 VanDerWaalsContact O-CA 3.29Å; D669-S673 WeakPolarHBondContact O-CA 3.21Å; D669-S673 WeakPolarHBondContact O-CB 3.27Å; D669-S673 PolarHBondContact O-N 2.9Å |
| 670 | L | 56.9 | Low | 51.6 | Low | 101 Ų | 101 | 87.5 Ų | 87.5 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -101.6 | -18 | 169.6 | -160.7 | 148.5 | 0 | 0 | 0 | 111 | K666 S673 M674 | K666-L670 WeakPolarHBondContact O-CA 3.13Å; K666-L670 WeakPolarHBondContact O-CB 3.28Å; K666-L670 PolarHBondContact O-N 3.28Å; L670-S673 CarbonylContact O-C 3.54Å; L670-M674 HydrophobicContact CD2-CE 3.84Å; L670-M674 HydrophobicContact CD2-CG 4.08Å; L670-M674 HydrophobicContact CD2-SD 4.02Å; L670-M674 WeakPolarHBondContact O-CB 3.41Å; L670-M674 WeakPolarHBondContact O-CG 3.43Å; L670-M674 PolarHBondContact O-N 3.12Å |
| 671 | A | 47 | Very low | 49.4 | Very low | 42 Ų | 42 | 88.3 Ų | 88.3 | 35% | 0.347 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.5 | -51.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q667 S673 M674 I675 | Q667-A671 WeakPolarHBondContact O-CA 3.48Å; Q667-A671 WeakPolarHBondContact O-CB 3.14Å; Q667-A671 PolarHBondContact O-N 2.96Å; A671-S673 PolarHBondContact O-N 2.86Å; A671-M674 PolarHBondContact O-N 2.97Å; A671-I675 WeakPolarHBondContact O-CB 3.42Å; A671-I675 WeakPolarHBondContact O-CD1 2.98Å; A671-I675 WeakPolarHBondContact O-CG1 3.29Å; A671-I675 PolarHBondContact O-N 2.95Å |
| 672 | Q | 44.2 | Very low | 47.3 | Very low | 108 Ų | 108 | 86.1 Ų | 86.1 | 51% | 0.505 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.6 | -27.3 | 174.9 | -78.3 | 171.2 | -48.5 | 0 | 0 | 111.6 | V668 D669 I675 S676 | V668-Q672 WeakPolarHBondContact O-CA 3.34Å; V668-Q672 WeakPolarHBondContact O-CB 3.42Å; V668-Q672 WeakPolarHBondContact O-CG 3.16Å; V668-Q672 PolarHBondContact O-N 3.48Å; V668-Q672 PolarHBondContact O-OE1 3.4Å; D669-Q672 CarbonylContact O-C 3.6Å; Q672-I675 CarbonylContact O-C 3.58Å; Q672-S676 WeakPolarHBondContact O-CA 3.16Å; Q672-S676 WeakPolarHBondContact O-CB 3.18Å; Q672-S676 PolarHBondContact O-N 2.9Å; Q672-S676 PolarHBondContact O-OG 3.19Å |
| 673 | S | 40.3 | Very low | 45.1 | Very low | 57 Ų | 57 | 86.4 Ų | 86.4 | 40% | 0.399 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -102.6 | 25 | 169.9 | -160.3 | 0 | 0 | 0 | 0 | 113.3 | D669 L670 A671 S677 | D669-S673 VanDerWaalsContact O-CA 3.29Å; D669-S673 WeakPolarHBondContact O-CA 3.21Å; D669-S673 WeakPolarHBondContact O-CB 3.27Å; D669-S673 PolarHBondContact O-N 2.9Å; L670-S673 CarbonylContact O-C 3.54Å; A671-S673 PolarHBondContact O-N 2.86Å; S673-S677 VanDerWaalsContact C-N 3.34Å; S673-S677 WeakPolarHBondContact O-CB 3.16Å; S673-S677 PolarHBondContact O-N 3.01Å; S673-S677 PolarHBondContact O-OG 3.21Å |
| 674 | M | 36.7 | Very low | 43.1 | Very low | 114 Ų | 114 | 90.6 Ų | 90.6 | 56% | 0.562 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -113.3 | -36.9 | 151 | -77.3 | -167 | -56.5 | 0 | 0 | 110.3 | L670 A671 S676 S677 T678 | L670-M674 HydrophobicContact CD2-CE 3.84Å; L670-M674 HydrophobicContact CD2-CG 4.08Å; L670-M674 HydrophobicContact CD2-SD 4.02Å; L670-M674 WeakPolarHBondContact O-CB 3.41Å; L670-M674 WeakPolarHBondContact O-CG 3.43Å; L670-M674 PolarHBondContact O-N 3.12Å; A671-M674 PolarHBondContact O-N 2.97Å; M674-S676 PolarHBondContact O-N 3.49Å; M674-S677 WeakPolarHBondContact CA-OG 3.41Å; M674-T678 WeakPolarHBondContact O-CB 3.05Å; M674-T678 WeakPolarHBondContact O-CG2 3.38Å; M674-T678 PolarHBondContact O-N 3.01Å; M674-T678 PolarHBondContact O-OG1 2.85Å |
| 675 | I | 38.4 | Very low | 41.3 | Very low | 107 Ų | 107 | 91.4 Ų | 91.4 | 55% | 0.549 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.4 | -28.8 | 158.7 | -61.9 | 163.4 | 0 | 0 | 0 | 110.7 | A671 Q672 T678 S679 | A671-I675 WeakPolarHBondContact O-CB 3.42Å; A671-I675 WeakPolarHBondContact O-CD1 2.98Å; A671-I675 WeakPolarHBondContact O-CG1 3.29Å; A671-I675 PolarHBondContact O-N 2.95Å; Q672-I675 CarbonylContact O-C 3.58Å; I675-T678 PolarHBondContact O-OG1 3.31Å; I675-S679 WeakPolarHBondContact O-CB 3.22Å; I675-S679 PolarHBondContact O-OG 2.86Å |
| 676 | S | 33.4 | Very low | 39.6 | Very low | 32 Ų | 32 | 94.4 Ų | 94.4 | 22% | 0.224 | 52% | 0.52 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -14.2 | 178.6 | -43.9 | 0 | 0 | 0 | 0 | 116.3 | Q672 M674 T678 S679 S680 | Q672-S676 WeakPolarHBondContact O-CA 3.16Å; Q672-S676 WeakPolarHBondContact O-CB 3.18Å; Q672-S676 PolarHBondContact O-N 2.9Å; Q672-S676 PolarHBondContact O-OG 3.19Å; M674-S676 PolarHBondContact O-N 3.49Å; S676-T678 PolarHBondContact O-N 3.25Å; S676-T678 VanDerWaalsContact O-N 3.16Å; S676-S679 WeakPolarHBondContact CA-OG 3.18Å; S676-S679 PolarHBondContact O-N 3.28Å; S676-S679 PolarHBondContact OG-OG 2.67Å; S676-S680 WeakPolarHBondContact CB-OG 3.28Å; S676-S680 PolarHBondContact O-N 3.2Å; S676-S680 PolarHBondContact O-OG 2.73Å |
| 677 | S | 30 | Very low | 37.9 | Very low | 74 Ų | 74 | 97.6 Ų | 97.6 | 52% | 0.517 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -14.9 | 154.8 | 57.7 | 0 | 0 | 0 | 0 | 111.5 | S673 M674 | S673-S677 VanDerWaalsContact C-N 3.34Å; S673-S677 WeakPolarHBondContact O-CB 3.16Å; S673-S677 PolarHBondContact O-N 3.01Å; S673-S677 PolarHBondContact O-OG 3.21Å; M674-S677 WeakPolarHBondContact CA-OG 3.41Å |
| 678 | T | 30.2 | Very low | 36.4 | Very low | 99 Ų | 99 | 101 Ų | 101 | 61% | 0.607 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 3.5 | 165.2 | 60.1 | 0 | 0 | 0 | 0 | 115.4 | M674 I675 S676 | M674-T678 WeakPolarHBondContact O-CB 3.05Å; M674-T678 WeakPolarHBondContact O-CG2 3.38Å; M674-T678 PolarHBondContact O-N 3.01Å; M674-T678 PolarHBondContact O-OG1 2.85Å; I675-T678 PolarHBondContact O-OG1 3.31Å; S676-T678 PolarHBondContact O-N 3.25Å; S676-T678 VanDerWaalsContact O-N 3.16Å |
| 679 | S | 28.7 | Very low | 35.4 | Very low | 46 Ų | 46 | 102.9 Ų | 102.9 | 32% | 0.322 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -147.6 | -9.5 | 178.9 | 71.9 | 0 | 0 | 0 | 0 | 118.9 | I675 S676 | I675-S679 WeakPolarHBondContact O-CB 3.22Å; I675-S679 PolarHBondContact O-OG 2.86Å; S676-S679 WeakPolarHBondContact CA-OG 3.18Å; S676-S679 PolarHBondContact O-N 3.28Å; S676-S679 PolarHBondContact OG-OG 2.67Å |
| 680 | S | 26.2 | Very low | 34.3 | Very low | 88 Ų | 88 | 105.3 Ų | 105.3 | 62% | 0.615 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | 3 | 174 | 69.5 | 0 | 0 | 0 | 0 | 114.5 | S676 | S676-S680 WeakPolarHBondContact CB-OG 3.28Å; S676-S680 PolarHBondContact O-N 3.2Å; S676-S680 PolarHBondContact O-OG 2.73Å |
| 681 | N | 25.7 | Very low | 33 | Very low | 147 Ų | 147 | 103.1 Ų | 103.1 | 79% | 0.786 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -101.4 | 7.6 | 153.9 | -120.3 | 0.9 | 0 | 0 | 0 | 111.8 | ||
| 682 | C | 25.4 | Very low | 32.2 | Very low | 49 Ų | 49 | 110.3 Ų | 110.3 | 33% | 0.331 | 60% | 0.598 | S | S | . | * | trans | -97.2 | 88.6 | 169.7 | -65.6 | 0 | 0 | 0 | 0 | 109.1 | W684 | C682-W684 HydrophobicContact CB-CD2 3.89Å; C682-W684 HydrophobicContact CB-CG 4.08Å; C682-W684 HydrophobicContact CB-CZ2 3.79Å; C682-W684 PolarHBondContact O-N 2.99Å | ||
| 683 | T | 27.2 | Very low | 31.6 | Very low | 100 Ų | 100 | 110 Ų | 110 | 61% | 0.613 | 62% | 0.615 | S | S | * | * | trans | -59 | 92.8 | 149.6 | 48.6 | 0 | 0 | 0 | 0 | 107.2 | D685 | T683-D685 PolarHBondContact O-N 2.81Š| ||
| 684 | W | 30.8 | Very low | 31.1 | Very low | 152 Ų | 152 | 112.3 Ų | 112.3 | 58% | 0.576 | 63% | 0.631 | S | S | * | * | trans | -75.6 | 51.1 | 178.4 | -64 | 101.3 | 0 | 0 | 0 | 111.4 | C682 V689 | C682-W684 HydrophobicContact CB-CD2 3.89Å; C682-W684 HydrophobicContact CB-CG 4.08Å; C682-W684 HydrophobicContact CB-CZ2 3.79Å; C682-W684 PolarHBondContact O-N 2.99Å; W684-V689 HydrophobicContact CE3-CG2 4.03Å; W684-V689 HydrophobicContact CZ3-CG2 3.9Å | ||
| 685 | D | 29 | Very low | 30.7 | Very low | 117 Ų | 117 | 111.4 Ų | 111.4 | 63% | 0.626 | 64% | 0.635 | S | S | * | * | trans | -58.2 | 152 | 153.8 | -71.2 | -59.2 | 0 | 0 | 0 | 109.2 | T683 E687 | T683-D685 PolarHBondContact O-N 2.81Å; D685-E687 PolarHBondContact O-N 3.32Å | ||
| 686 | N | 33.5 | Very low | 30.3 | Very low | 168 Ų | 168 | 112.6 Ų | 112.6 | 90% | 0.898 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 13 | -155.1 | -66.6 | -67.7 | 0 | 0 | 0 | 117.6 | ||
| 687 | E | 34 | Very low | 30.1 | Very low | 175 Ų | 175 | 114 Ų | 114 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | -14.8 | -166 | -62.3 | -169.1 | 141 | 0 | 0 | 116.3 | D685 | D685-E687 PolarHBondContact O-N 3.32Š|
| 688 | R | 32.6 | Very low | 30.2 | Very low | 191 Ų | 191 | 119.4 Ų | 119.4 | 72% | 0.721 | 69% | 0.69 | S | S | * | * | trans | -98.1 | -2.2 | -168.7 | -70.2 | -167.6 | -178.1 | -179.5 | 4.5 | 118 | V690 | R688-V690 PolarHBondContact O-N 3.48Š| ||
| 689 | V | 35.8 | Very low | 30.6 | Very low | 115 Ų | 115 | 119.7 Ų | 119.7 | 70% | 0.697 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -68.4 | -18.8 | -179 | -179 | 0 | 0 | 0 | 0 | 113 | W684 G691 | W684-V689 HydrophobicContact CE3-CG2 4.03Å; W684-V689 HydrophobicContact CZ3-CG2 3.9Å; V689-G691 PolarHBondContact O-N 2.66Å |
| 690 | V | 33.8 | Very low | 31.3 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 78% | 0.782 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -71.8 | -11.7 | -176.7 | -170.1 | 0 | 0 | 0 | 0 | 113.3 | R688 | R688-V690 PolarHBondContact O-N 3.48Š|
| 691 | G | 30.6 | Very low | 32.8 | Very low | 56 Ų | 56 | 128.3 Ų | 128.3 | 58% | 0.577 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -81.7 | -14.8 | -166.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | V689 | V689-G691 PolarHBondContact O-N 2.66Š|
| 692 | F | 30.5 | Very low | 35.2 | Very low | 192 Ų | 192 | 124.9 Ų | 124.9 | 84% | 0.842 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -95.1 | 8.5 | -173.6 | -92.8 | -85.9 | 0 | 0 | 0 | 115.3 | S694 | F692-S694 PolarHBondContact O-N 3.46Š|
| 693 | A | 31.1 | Very low | 37.2 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 84% | 0.843 | 70% | 0.701 | S | S | * | * | trans | -79.4 | 45.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 694 | S | 28.6 | Very low | 38.9 | Very low | 106 Ų | 106 | 128.3 Ų | 128.3 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | trans | -141.8 | 30.7 | -175 | 72.7 | 0 | 0 | 0 | 0 | 115.4 | F692 | F692-S694 PolarHBondContact O-N 3.46Š| ||
| 695 | S | 29.7 | Very low | 40.7 | Very low | 94 Ų | 94 | 124.1 Ų | 124.1 | 66% | 0.657 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -149.3 | 78.9 | 167.6 | 64.2 | 0 | 0 | 0 | 0 | 112.2 | G697 | S695-G697 PolarHBondContact O-N 2.64Š|
| 696 | S | 28.6 | Very low | 42.6 | Very low | 133 Ų | 133 | 122.8 Ų | 122.8 | 93% | 0.93 | 68% | 0.678 | S | S | * | * | trans | 9.7 | 96.6 | 159.6 | 55.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 697 | G | 30 | Very low | 44.3 | Very low | 60 Ų | 60 | 116.5 Ų | 116.5 | 62% | 0.619 | 64% | 0.644 | S | S | * | * | trans | -178.6 | 60.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | S695 N699 | S695-G697 PolarHBondContact O-N 2.64Å; G697-N699 PolarHBondContact O-N 2.99Å; G697-N699 PolarHBondContact O-ND2 3.21Å | ||
| 698 | E | 32.1 | Very low | 45.9 | Very low | 188 Ų | 188 | 113.4 Ų | 113.4 | 88% | 0.879 | 63% | 0.632 | S | S | * | * | trans | -7.8 | 101 | 173.6 | -60.5 | -178 | 152.7 | 0 | 0 | 117.9 | ||||
| 699 | N | 39 | Very low | 47.5 | Very low | 106 Ų | 106 | 106.1 Ų | 106.1 | 57% | 0.567 | 61% | 0.613 | S | S | * | * | trans | -146.5 | 85.5 | 163.8 | -75.6 | -79.1 | 0 | 0 | 0 | 111.3 | G697 W701 K1451 | G697-N699 PolarHBondContact O-N 2.99Å; G697-N699 PolarHBondContact O-ND2 3.21Å; N699-W701 PolarHBondContact O-N 3.13Å; N699-K1451 PolarHBondContact OD1-NZ 3.09Å | ||
| 700 | N | 44.1 | Very low | 49 | Very low | 166 Ų | 166 | 105.8 Ų | 105.8 | 89% | 0.888 | 60% | 0.6 | S | S | * | * | trans | -74.8 | 111.5 | 172.8 | -65.4 | -14.7 | 0 | 0 | 0 | 110 | ||||
| 701 | W | 56.4 | Low | 50.5 | Low | 148 Ų | 148 | 105 Ų | 105 | 56% | 0.561 | 58% | 0.583 | S | S | * | * | trans | -87.5 | 136.1 | 165.1 | -71.2 | 65 | 0 | 0 | 0 | 109.1 | N699 E705 A709 | N699-W701 PolarHBondContact O-N 3.13Å; W701-E705 HydrophobicContact CE3-CB 3.84Å; W701-E705 HydrophobicContact CZ3-CB 4.43Å; W701-A709 HydrophobicContact CZ3-CB 3.92Å | ||
| 702 | T | 76 | Confident | 51.8 | Low | 76 Ų | 76 | 104.5 Ų | 104.5 | 47% | 0.466 | 57% | 0.573 | S | S | . | * | trans | -77 | 156.6 | 170.9 | 61.9 | 0 | 0 | 0 | 0 | 111.6 | Q704 E705 E706 | T702-Q704 PolarHBondContact O-N 2.78Å; T702-Q704 VanDerWaalsContact O-N 3.08Å; T702-E705 WeakPolarHBondContact CB-OE2 3.39Å; T702-E705 WeakPolarHBondContact CG2-OE2 3.2Å; T702-E705 PolarHBondContact N-OE2 3.45Å; T702-E705 PolarHBondContact O-N 3.18Å; T702-E705 VanDerWaalsContact OG1-CG 3.32Å; T702-E705 WeakPolarHBondContact OG1-CG 3.27Å; T702-E705 PolarHBondContact OG1-N 2.84Å; T702-E705 PolarHBondContact OG1-OE2 2.86Å; T702-E706 PolarHBondContact O-N 2.82Å | ||
| 703 | E | 68.4 | Low | 53.3 | Low | 90 Ų | 90 | 101 Ų | 101 | 42% | 0.421 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -51.7 | -34.4 | 173 | -172.9 | -171.9 | -179.3 | 0 | 0 | 111.4 | N707 K982 | E703-N707 VanDerWaalsContact O-CB 3.29Å; E703-N707 WeakPolarHBondContact O-CB 3.29Å; E703-N707 PolarHBondContact O-N 2.86Å; E703-N707 PolarHBondContact O-ND2 2.63Å; E703-N707 VanDerWaalsContact O-ND2 3.08Å; E703-K982 IonicContact OE1-NZ 2.74Å; E703-K982 WeakPolarHBondContact OE2-CE 3.4Å; E703-K982 IonicContact OE2-NZ 3.24Å; E703-K982 PolarHBondContact OE2-NZ 3.48Å |
| 704 | Q | 62.3 | Low | 54.4 | Low | 131 Ų | 131 | 98.4 Ų | 98.4 | 61% | 0.612 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -73.5 | -39.5 | 179.8 | -171.4 | 171.2 | -22 | 0 | 0 | 112.9 | T702 L708 | T702-Q704 PolarHBondContact O-N 2.78Å; T702-Q704 VanDerWaalsContact O-N 3.08Å; Q704-L708 VanDerWaalsContact O-CB 3.27Å; Q704-L708 WeakPolarHBondContact O-CB 3.32Å; Q704-L708 PolarHBondContact O-N 2.92Å |
| 705 | E | 68.1 | Low | 55.8 | Low | 63 Ų | 63 | 96.7 Ų | 96.7 | 29% | 0.294 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.2 | -39 | 174 | -70.8 | 162.1 | 121 | 0 | 0 | 111.9 | W701 T702 L708 A709 | W701-E705 HydrophobicContact CE3-CB 3.84Å; W701-E705 HydrophobicContact CZ3-CB 4.43Å; T702-E705 WeakPolarHBondContact CB-OE2 3.39Å; T702-E705 WeakPolarHBondContact CG2-OE2 3.2Å; T702-E705 PolarHBondContact N-OE2 3.45Å; T702-E705 PolarHBondContact O-N 3.18Å; T702-E705 VanDerWaalsContact OG1-CG 3.32Å; T702-E705 WeakPolarHBondContact OG1-CG 3.27Å; T702-E705 PolarHBondContact OG1-N 2.84Å; T702-E705 PolarHBondContact OG1-OE2 2.86Å; E705-L708 PolarHBondContact O-N 3.39Å; E705-A709 WeakPolarHBondContact O-CB 3.36Å; E705-A709 PolarHBondContact O-N 2.6Å |
| 706 | E | 69.4 | Low | 57.1 | Low | 90 Ų | 90 | 100.6 Ų | 100.6 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 177.2 | -152.2 | -141.8 | 139.6 | 0 | 0 | 111.4 | T702 A709 R710 | T702-E706 PolarHBondContact O-N 2.82Å; E706-A709 PolarHBondContact O-N 3.45Å; E706-R710 WeakPolarHBondContact O-CB 3.26Å; E706-R710 WeakPolarHBondContact O-CG 3.36Å; E706-R710 PolarHBondContact O-N 2.82Å; E706-R710 IonicContact OE1-CZ 3.09Å; E706-R710 IonicContact OE1-NE 2.72Å; E706-R710 PolarHBondContact OE1-NE 2.75Å; E706-R710 IonicContact OE1-NH2 2.73Å; E706-R710 PolarHBondContact OE1-NH2 3.48Å; E706-R710 IonicContact OE2-CZ 3.6Å; E706-R710 IonicContact OE2-NH2 3.2Å; E706-R710 PolarHBondContact OE2-NH2 2.92Å |
| 707 | N | 68.8 | Low | 58.4 | Low | 36 Ų | 36 | 100.9 Ų | 100.9 | 19% | 0.193 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 171.5 | -71.4 | -24.4 | 0 | 0 | 0 | 111.5 | E703 A709 R710 W711 | E703-N707 VanDerWaalsContact O-CB 3.29Å; E703-N707 WeakPolarHBondContact O-CB 3.29Å; E703-N707 PolarHBondContact O-N 2.86Å; E703-N707 PolarHBondContact O-ND2 2.63Å; E703-N707 VanDerWaalsContact O-ND2 3.08Å; N707-A709 VanDerWaalsContact C-N 3.32Å; N707-A709 PolarHBondContact O-N 2.86Å; N707-R710 PolarHBondContact O-N 3.15Å; N707-R710 PolarHBondContact OD1-NH1 3.34Å; N707-R710 PolarHBondContact OD1-NH2 2.7Å; N707-W711 WeakPolarHBondContact O-CB 3.26Å; N707-W711 PolarHBondContact O-N 2.96Å |
| 708 | L | 68.1 | Low | 59.6 | Low | 109 Ų | 109 | 100.6 Ų | 100.6 | 57% | 0.571 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.6 | -38.2 | 177.9 | -173.3 | 69.6 | 0 | 0 | 0 | 112 | Q704 E705 W711 A712 | Q704-L708 VanDerWaalsContact O-CB 3.27Å; Q704-L708 WeakPolarHBondContact O-CB 3.32Å; Q704-L708 PolarHBondContact O-N 2.92Å; E705-L708 PolarHBondContact O-N 3.39Å; L708-W711 HydrophobicContact CD1-CE3 4.34Å; L708-A712 VanDerWaalsContact O-CB 3.24Å; L708-A712 WeakPolarHBondContact O-CB 3.2Å; L708-A712 PolarHBondContact O-N 2.65Å |
| 709 | A | 65.8 | Low | 60.7 | Low | 39 Ų | 39 | 98.3 Ų | 98.3 | 32% | 0.322 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.2 | -44.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | W701 E705 E706 N707 W711 A712 F713 | W701-A709 HydrophobicContact CZ3-CB 3.92Å; E705-A709 WeakPolarHBondContact O-CB 3.36Å; E705-A709 PolarHBondContact O-N 2.6Å; E706-A709 PolarHBondContact O-N 3.45Å; N707-A709 VanDerWaalsContact C-N 3.32Å; N707-A709 PolarHBondContact O-N 2.86Å; A709-W711 VanDerWaalsContact C-N 3.34Å; A709-W711 PolarHBondContact O-N 3.16Å; A709-A712 PolarHBondContact O-N 3.43Å; A709-F713 VanDerWaalsContact O-CB 3.25Å; A709-F713 WeakPolarHBondContact O-CB 3.27Å; A709-F713 PolarHBondContact O-N 2.67Å |
| 710 | R | 67.2 | Low | 61.4 | Low | 108 Ų | 108 | 95.3 Ų | 95.3 | 41% | 0.408 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 175.3 | -73.6 | -169.4 | -100.3 | 89.3 | -5.3 | 112.1 | E706 N707 S714 | E706-R710 WeakPolarHBondContact O-CB 3.26Å; E706-R710 WeakPolarHBondContact O-CG 3.36Å; E706-R710 PolarHBondContact O-N 2.82Å; E706-R710 IonicContact OE1-CZ 3.09Å; E706-R710 IonicContact OE1-NE 2.72Å; E706-R710 PolarHBondContact OE1-NE 2.75Å; E706-R710 IonicContact OE1-NH2 2.73Å; E706-R710 PolarHBondContact OE1-NH2 3.48Å; E706-R710 IonicContact OE2-CZ 3.6Å; E706-R710 IonicContact OE2-NH2 3.2Å; E706-R710 PolarHBondContact OE2-NH2 2.92Å; N707-R710 PolarHBondContact O-N 3.15Å; N707-R710 PolarHBondContact OD1-NH1 3.34Å; N707-R710 PolarHBondContact OD1-NH2 2.7Å; R710-S714 VanDerWaalsContact O-CB 3.31Å; R710-S714 WeakPolarHBondContact O-CB 3.32Å; R710-S714 PolarHBondContact O-N 3.46Å; R710-S714 PolarHBondContact O-OG 2.85Å |
| 711 | W | 65.6 | Low | 62.2 | Low | 112 Ų | 112 | 90.8 Ų | 90.8 | 42% | 0.424 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.7 | -49.2 | 171.3 | 177.2 | 92.8 | 0 | 0 | 0 | 112.1 | N707 L708 A709 F713 S714 K715 | N707-W711 WeakPolarHBondContact O-CB 3.26Å; N707-W711 PolarHBondContact O-N 2.96Å; L708-W711 HydrophobicContact CD1-CE3 4.34Å; A709-W711 VanDerWaalsContact C-N 3.34Å; A709-W711 PolarHBondContact O-N 3.16Å; W711-F713 PolarHBondContact O-N 2.98Å; W711-S714 PolarHBondContact O-N 3.19Å; W711-K715 HydrophobicContact CH2-CD 3.72Å; W711-K715 HydrophobicContact CZ2-CD 3.82Å; W711-K715 HydrophobicContact CZ3-CD 4.12Å; W711-K715 VanDerWaalsContact O-CB 3.27Å; W711-K715 WeakPolarHBondContact O-CB 3.49Å; W711-K715 PolarHBondContact O-N 3.48Å |
| 712 | A | 57.6 | Low | 62 | Low | 46 Ų | 46 | 88.3 Ų | 88.3 | 38% | 0.38 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | L708 A709 K715 W716 | L708-A712 VanDerWaalsContact O-CB 3.24Å; L708-A712 WeakPolarHBondContact O-CB 3.2Å; L708-A712 PolarHBondContact O-N 2.65Å; A709-A712 PolarHBondContact O-N 3.43Å; A712-K715 PolarHBondContact O-N 3.41Å; A712-W716 WeakPolarHBondContact O-CB 3.44Å; A712-W716 PolarHBondContact O-N 3.2Å |
| 713 | F | 61.8 | Low | 61.4 | Low | 118 Ų | 118 | 88 Ų | 88 | 52% | 0.518 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 174.3 | 177.3 | -103 | 0 | 0 | 0 | 111.7 | A709 W711 K715 W716 K717 | A709-F713 VanDerWaalsContact O-CB 3.25Å; A709-F713 WeakPolarHBondContact O-CB 3.27Å; A709-F713 PolarHBondContact O-N 2.67Å; W711-F713 PolarHBondContact O-N 2.98Å; F713-K715 VanDerWaalsContact C-N 3.34Å; F713-K715 PolarHBondContact O-N 3.45Å; F713-W716 HydrophobicContact CD2-CE3 4.11Å; F713-W716 HydrophobicContact CD2-CZ3 4.42Å; F713-W716 HydrophobicContact CE2-CE3 4.11Å; F713-W716 HydrophobicContact CE2-CZ3 4.01Å; F713-W716 PolarHBondContact O-N 3.22Å; F713-K717 HydrophobicContact CE1-CD 4.22Å; F713-K717 HydrophobicContact CZ-CD 4.47Å; F713-K717 VanDerWaalsContact O-CB 3.31Å; F713-K717 WeakPolarHBondContact O-CB 3.11Å; F713-K717 PolarHBondContact O-N 3.41Å |
| 714 | S | 55.4 | Low | 61.4 | Low | 48 Ų | 48 | 83.9 Ų | 83.9 | 34% | 0.336 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 175.8 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | R710 W711 W716 K717 F718 | R710-S714 VanDerWaalsContact O-CB 3.31Å; R710-S714 WeakPolarHBondContact O-CB 3.32Å; R710-S714 PolarHBondContact O-N 3.46Å; R710-S714 PolarHBondContact O-OG 2.85Å; W711-S714 PolarHBondContact O-N 3.19Å; S714-W716 VanDerWaalsContact C-N 3.33Å; S714-W716 PolarHBondContact O-N 3.24Å; S714-K717 PolarHBondContact O-N 3.29Å; S714-F718 WeakPolarHBondContact O-CD2 3.47Å; S714-F718 PolarHBondContact O-N 3.35Å |
| 715 | K | 57.4 | Low | 61.5 | Low | 69 Ų | 69 | 81.5 Ų | 81.5 | 30% | 0.3 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 176.1 | -172.8 | 170.6 | -176.1 | 172.3 | 0 | 112.2 | W711 A712 F713 Y719 | W711-K715 HydrophobicContact CH2-CD 3.72Å; W711-K715 HydrophobicContact CZ2-CD 3.82Å; W711-K715 HydrophobicContact CZ3-CD 4.12Å; W711-K715 VanDerWaalsContact O-CB 3.27Å; W711-K715 WeakPolarHBondContact O-CB 3.49Å; W711-K715 PolarHBondContact O-N 3.48Å; A712-K715 PolarHBondContact O-N 3.41Å; F713-K715 VanDerWaalsContact C-N 3.34Å; F713-K715 PolarHBondContact O-N 3.45Å; K715-Y719 HydrophobicContact CG-CD2 3.91Å; K715-Y719 HydrophobicContact CG-CE2 4Å; K715-Y719 VanDerWaalsContact O-CB 3.31Å; K715-Y719 WeakPolarHBondContact O-CB 3.3Å; K715-Y719 VanDerWaalsContact O-CD2 3.27Å; K715-Y719 WeakPolarHBondContact O-CD2 3.36Å; K715-Y719 PolarHBondContact O-N 3.47Å; K715-Y719 VanDerWaalsContact O-N 3.09Å |
| 716 | W | 57.3 | Low | 61.5 | Low | 177 Ų | 177 | 82.5 Ų | 82.5 | 67% | 0.67 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -68.3 | -48.1 | 175.2 | 175.8 | 74.7 | 0 | 0 | 0 | 112.2 | A712 F713 S714 F718 Y719 | A712-W716 WeakPolarHBondContact O-CB 3.44Å; A712-W716 PolarHBondContact O-N 3.2Å; F713-W716 HydrophobicContact CD2-CE3 4.11Å; F713-W716 HydrophobicContact CD2-CZ3 4.42Å; F713-W716 HydrophobicContact CE2-CE3 4.11Å; F713-W716 HydrophobicContact CE2-CZ3 4.01Å; F713-W716 PolarHBondContact O-N 3.22Å; S714-W716 VanDerWaalsContact C-N 3.33Å; S714-W716 PolarHBondContact O-N 3.24Å; W716-F718 PolarHBondContact O-N 2.92Å; W716-Y719 PolarHBondContact O-N 2.89Å; W716-Y719 VanDerWaalsContact O-N 3.11Å |
| 717 | K | 55.9 | Low | 61.5 | Low | 139 Ų | 139 | 80.9 Ų | 80.9 | 60% | 0.604 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -58 | -31.9 | 177.7 | -178.3 | 176 | 178 | 179.2 | 0 | 113 | F713 S714 | F713-K717 HydrophobicContact CE1-CD 4.22Å; F713-K717 HydrophobicContact CZ-CD 4.47Å; F713-K717 VanDerWaalsContact O-CB 3.31Å; F713-K717 WeakPolarHBondContact O-CB 3.11Å; F713-K717 PolarHBondContact O-N 3.41Å; S714-K717 PolarHBondContact O-N 3.29Å |
| 718 | F | 53.9 | Low | 61.9 | Low | 53 Ų | 53 | 80.1 Ų | 80.1 | 23% | 0.232 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 8.2 | 178.3 | -59.4 | -58.2 | 0 | 0 | 0 | 114.4 | S714 W716 Q720 R778 P779 Y780 | S714-F718 WeakPolarHBondContact O-CD2 3.47Å; S714-F718 PolarHBondContact O-N 3.35Å; W716-F718 PolarHBondContact O-N 2.92Å; F718-Q720 PolarHBondContact O-N 2.88Å; F718-R778 HydrophobicContact CE1-CG 4.28Å; F718-P779 HydrophobicContact CD2-CG 3.51Å; F718-P779 VanDerWaalsContact CE2-CD 3.41Å; F718-P779 HydrophobicContact CE2-CG 3.69Å; F718-P779 HydrophobicContact CG-CG 4.3Å; F718-Y780 HydrophobicContact CB-CD2 4.17Å |
| 719 | Y | 55.5 | Low | 61.8 | Low | 140 Ų | 140 | 81.4 Ų | 81.4 | 55% | 0.549 | 38% | 0.382 | S | S | . | . | trans | -77.5 | 98.2 | 179.6 | -128.5 | -109.5 | 0 | 0 | 0 | 110.9 | K715 W716 F721 T722 | K715-Y719 HydrophobicContact CG-CD2 3.91Å; K715-Y719 HydrophobicContact CG-CE2 4Å; K715-Y719 VanDerWaalsContact O-CB 3.31Å; K715-Y719 WeakPolarHBondContact O-CB 3.3Å; K715-Y719 VanDerWaalsContact O-CD2 3.27Å; K715-Y719 WeakPolarHBondContact O-CD2 3.36Å; K715-Y719 PolarHBondContact O-N 3.47Å; K715-Y719 VanDerWaalsContact O-N 3.09Å; W716-Y719 PolarHBondContact O-N 2.89Å; W716-Y719 VanDerWaalsContact O-N 3.11Å; Y719-F721 VanDerWaalsContact C-N 3.28Å; Y719-F721 PolarHBondContact O-N 3.28Å; Y719-T722 PolarHBondContact O-OG1 3.37Å | ||
| 720 | Q | 55.3 | Low | 62.1 | Low | 44 Ų | 44 | 81.7 Ų | 81.7 | 21% | 0.206 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | -38.3 | -161.9 | -60.9 | 172.6 | -12 | 0 | 0 | 116.4 | F718 T722 L724 P781 T783 | F718-Q720 PolarHBondContact O-N 2.88Å; Q720-T722 PolarHBondContact O-N 3.1Å; Q720-L724 HydrophobicContact CB-CD1 4.29Å; Q720-L724 WeakPolarHBondContact O-CG 3.39Å; Q720-P781 PolarHBondContact NE2-O 3.12Å; Q720-T783 PolarHBondContact NE2-OG1 3Å; Q720-T783 PolarHBondContact OE1-OG1 3.36Å |
| 721 | F | 60.5 | Low | 62.8 | Low | 70 Ų | 70 | 77.2 Ų | 77.2 | 31% | 0.307 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -78.9 | -9.1 | -160.9 | -58 | -68 | 0 | 0 | 0 | 117 | Y719 L724 I1375 H1378 | Y719-F721 VanDerWaalsContact C-N 3.28Å; Y719-F721 PolarHBondContact O-N 3.28Å; F721-L724 HydrophobicContact CD1-CD1 4.05Å; F721-L724 HydrophobicContact CE1-CD1 4.48Å; F721-I1375 HydrophobicContact CD1-CG2 3.72Å; F721-I1375 HydrophobicContact CE1-CG2 3.77Å; F721-I1375 HydrophobicContact CG-CG2 4.45Å; F721-H1378 AromaticContact CE1-CE1 3.89Å |
| 722 | T | 52.2 | Low | 63.3 | Low | 97 Ų | 97 | 73.6 Ų | 73.6 | 60% | 0.595 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -75.8 | -50.8 | 177.2 | 44.4 | 0 | 0 | 0 | 0 | 112.1 | Y719 Q720 R725 | Y719-T722 PolarHBondContact O-OG1 3.37Å; Q720-T722 PolarHBondContact O-N 3.1Å; T722-R725 WeakPolarHBondContact O-CB 2.97Å; T722-R725 PolarHBondContact O-N 2.89Å |
| 723 | S | 62.4 | Low | 64.4 | Low | 68 Ų | 68 | 76.9 Ų | 76.9 | 48% | 0.476 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.1 | -50.6 | 177.5 | -170.1 | 0 | 0 | 0 | 0 | 111.4 | R725 D726 D727 | S723-R725 PolarHBondContact O-N 3.15Å; S723-D726 PolarHBondContact O-N 3.36Å; S723-D727 VanDerWaalsContact C-OD2 3.24Å; S723-D727 PolarHBondContact O-N 2.85Å; S723-D727 VanDerWaalsContact O-OD2 3.05Å; S723-D727 PolarHBondContact OG-OD2 2.78Å; S723-D727 VanDerWaalsContact OG-OD2 3.08Å |
| 724 | L | 68.7 | Low | 65.6 | Low | 4 Ų | 4 | 73.3 Ų | 73.3 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -53.4 | -31.9 | -177.6 | -63.9 | 172.7 | 0 | 0 | 0 | 113.3 | Q720 F721 L728 L755 T783 V785 | Q720-L724 HydrophobicContact CB-CD1 4.29Å; Q720-L724 WeakPolarHBondContact O-CG 3.39Å; F721-L724 HydrophobicContact CD1-CD1 4.05Å; F721-L724 HydrophobicContact CE1-CD1 4.48Å; L724-L728 WeakPolarHBondContact O-CB 3.4Å; L724-L728 WeakPolarHBondContact O-CD1 3.25Å; L724-L728 WeakPolarHBondContact O-CG 3.42Å; L724-L728 PolarHBondContact O-N 3.14Å; L724-L755 HydrophobicContact CD1-CD2 4.2Å; L724-L755 HydrophobicContact CD2-CD2 4.04Å; L724-L755 HydrophobicContact CG-CD2 4.5Å; L724-T783 HydrophobicContact CD1-CG2 3.52Å; L724-T783 HydrophobicContact CD2-CG2 4.02Å; L724-T783 HydrophobicContact CG-CG2 4.42Å; L724-V785 HydrophobicContact CB-CG2 4.26Å; L724-V785 HydrophobicContact CD2-CG2 3.62Å |
| 725 | R | 64.2 | Low | 67.1 | Low | 81 Ų | 81 | 71.6 Ų | 71.6 | 31% | 0.306 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 177.9 | -168 | -159.9 | 68.5 | 163.8 | -1.5 | 111.2 | T722 S723 L728 W729 L1351 | T722-R725 WeakPolarHBondContact O-CB 2.97Å; T722-R725 PolarHBondContact O-N 2.89Å; S723-R725 PolarHBondContact O-N 3.15Å; R725-L728 PolarHBondContact O-N 2.83Å; R725-W729 PolarHBondContact O-N 3.46Å; R725-L1351 HydrophobicContact CG-CD1 3.51Å |
| 726 | D | 67.5 | Low | 68.3 | Low | 85 Ų | 85 | 72.5 Ų | 72.5 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -80.7 | -32.2 | -174.7 | -62 | -11.1 | 0 | 0 | 0 | 110.3 | S723 G730 | S723-D726 PolarHBondContact O-N 3.36Å; D726-G730 PolarHBondContact O-N 3.42Å |
| 727 | D | 71.4 | Confident | 69.7 | Low | 56 Ų | 56 | 66.7 Ų | 66.7 | 30% | 0.299 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.3 | -47.7 | 164.6 | -66.8 | -51 | 0 | 0 | 0 | 111.7 | S723 N731 V785 L802 | S723-D727 VanDerWaalsContact C-OD2 3.24Å; S723-D727 PolarHBondContact O-N 2.85Å; S723-D727 VanDerWaalsContact O-OD2 3.05Å; S723-D727 PolarHBondContact OG-OD2 2.78Å; S723-D727 VanDerWaalsContact OG-OD2 3.08Å; D727-N731 WeakPolarHBondContact O-CB 3.49Å; D727-N731 PolarHBondContact O-N 2.96Å; D727-N731 PolarHBondContact O-ND2 2.64Å; D727-V785 HydrophobicContact CB-CB 4.29Å; D727-V785 HydrophobicContact CB-CG2 3.63Å; D727-L802 HydrophobicContact CB-CD1 4.28Å |
| 728 | L | 75.7 | Confident | 71.4 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 177.7 | -76.9 | 166.5 | 0 | 0 | 0 | 112.5 | L724 R725 A732 F753 V785 L1374 | L724-L728 WeakPolarHBondContact O-CB 3.4Å; L724-L728 WeakPolarHBondContact O-CD1 3.25Å; L724-L728 WeakPolarHBondContact O-CG 3.42Å; L724-L728 PolarHBondContact O-N 3.14Å; R725-L728 PolarHBondContact O-N 2.83Å; L728-A732 WeakPolarHBondContact O-CB 3.44Å; L728-A732 PolarHBondContact O-N 2.9Å; L728-F753 HydrophobicContact CD2-CB 3.75Å; L728-F753 HydrophobicContact CD2-CD1 3.86Å; L728-F753 HydrophobicContact CD2-CD2 3.75Å; L728-F753 HydrophobicContact CD2-CE1 4.4Å; L728-F753 HydrophobicContact CD2-CE2 4.3Å; L728-F753 HydrophobicContact CD2-CG 3.51Å; L728-V785 HydrophobicContact CD2-CG1 3.73Å; L728-V785 HydrophobicContact CD2-CG2 4.42Å; L728-V785 HydrophobicContact CG-CG1 4.22Å; L728-V785 HydrophobicContact CG-CG2 4.05Å; L728-L1374 HydrophobicContact CD2-CD2 4.39Å |
| 729 | W | 66.3 | Low | 73 | Confident | 136 Ų | 136 | 58 Ų | 58 | 52% | 0.515 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.4 | -52.7 | 175.6 | -84.5 | 108.4 | 0 | 0 | 0 | 111.6 | R725 N731 A732 L1351 | R725-W729 PolarHBondContact O-N 3.46Å; W729-N731 PolarHBondContact O-N 2.79Å; W729-N731 VanDerWaalsContact O-N 3.13Å; W729-A732 PolarHBondContact O-N 2.85Å; W729-L1351 HydrophobicContact CD2-CD2 3.91Å; W729-L1351 VanDerWaalsContact CE2-CD2 3.41Å; W729-L1351 HydrophobicContact CG-CD2 4.24Å; W729-L1351 HydrophobicContact CH2-CD2 4.45Å; W729-L1351 HydrophobicContact CZ2-CD2 3.73Å; W729-L1351 HydrophobicContact CZ2-CG 3.74Å |
| 730 | G | 72.2 | Confident | 74.4 | Confident | 44 Ų | 44 | 53.4 Ų | 53.4 | 45% | 0.454 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.6 | -14.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D726 R806 | D726-G730 PolarHBondContact O-N 3.42Å; G730-R806 PolarHBondContact O-NH2 3.4Å |
| 731 | N | 81.8 | Confident | 76 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 8% | 0.075 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -114.4 | -5.3 | 179 | -65.2 | -89.1 | 0 | 0 | 0 | 114.3 | D727 W729 I733 F734 L735 F753 L802 R806 | D727-N731 WeakPolarHBondContact O-CB 3.49Å; D727-N731 PolarHBondContact O-N 2.96Å; D727-N731 PolarHBondContact O-ND2 2.64Å; W729-N731 PolarHBondContact O-N 2.79Å; W729-N731 VanDerWaalsContact O-N 3.13Å; N731-I733 PolarHBondContact O-N 3.29Å; N731-F734 PolarHBondContact O-N 2.96Å; N731-L735 PolarHBondContact O-N 2.59Å; N731-F753 HydrophobicContact CB-CE1 4.25Å; N731-F753 HydrophobicContact CB-CZ 4.2Å; N731-L802 HydrophobicContact CB-CD1 4.45Å; N731-L802 HydrophobicContact CB-CD2 3.8Å; N731-R806 VanDerWaalsContact OD1-CZ 3.3Å; N731-R806 PolarHBondContact OD1-NE 3.38Å; N731-R806 PolarHBondContact OD1-NH2 2.96Å |
| 732 | A | 77.3 | Confident | 77.3 | Confident | 37 Ų | 37 | 48.7 Ų | 48.7 | 31% | 0.306 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.8 | -32.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | L728 W729 K736 F753 | L728-A732 WeakPolarHBondContact O-CB 3.44Å; L728-A732 PolarHBondContact O-N 2.9Å; W729-A732 PolarHBondContact O-N 2.85Å; A732-K736 PolarHBondContact O-N 3.45Å; A732-F753 HydrophobicContact CB-CE2 4.35Å |
| 733 | I | 79.1 | Confident | 78.9 | Confident | 115 Ų | 115 | 47.1 Ų | 47.1 | 59% | 0.59 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -65 | -49 | 179.7 | -169.6 | 166.5 | 0 | 0 | 0 | 112 | N731 L735 K736 E737 | N731-I733 PolarHBondContact O-N 3.29Å; I733-L735 VanDerWaalsContact C-N 3.29Å; I733-L735 PolarHBondContact O-N 3.05Å; I733-K736 PolarHBondContact O-N 2.82Å; I733-K736 VanDerWaalsContact O-N 3.15Å; I733-E737 WeakPolarHBondContact O-CB 3.5Å; I733-E737 PolarHBondContact O-N 3.23Å |
| 734 | F | 87.7 | Confident | 79.9 | Confident | 43 Ų | 43 | 48.9 Ų | 48.9 | 19% | 0.189 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.7 | -34.4 | 180 | -49.5 | -68.6 | 0 | 0 | 0 | 112 | N731 E737 A738 L805 R806 L809 | N731-F734 PolarHBondContact O-N 2.96Å; F734-E737 PolarHBondContact O-N 3.42Å; F734-A738 WeakPolarHBondContact O-CB 3.49Å; F734-A738 PolarHBondContact O-N 2.73Å; F734-L805 HydrophobicContact CB-CD2 4.37Å; F734-R806 VanDerWaalsContact CE2-CZ 3.44Å; F734-R806 HydrophobicContact CG-CG 4.49Å; F734-L809 HydrophobicContact CB-CD2 3.61Å; F734-L809 HydrophobicContact CD1-CD2 3.79Å; F734-L809 HydrophobicContact CG-CD2 4.17Å |
| 735 | L | 87.2 | Confident | 80.7 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.6 | -32.6 | 176 | -170.8 | 139.5 | 0 | 0 | 0 | 112.8 | N731 I733 N739 F751 F753 V787 L805 | N731-L735 PolarHBondContact O-N 2.59Å; I733-L735 VanDerWaalsContact C-N 3.29Å; I733-L735 PolarHBondContact O-N 3.05Å; L735-N739 PolarHBondContact O-N 2.89Å; L735-N739 PolarHBondContact O-ND2 3.04Å; L735-F751 HydrophobicContact CD1-CB 4.41Å; L735-F751 HydrophobicContact CG-CB 4.25Å; L735-F753 HydrophobicContact CB-CE1 4.33Å; L735-F753 HydrophobicContact CB-CE2 4.09Å; L735-F753 HydrophobicContact CB-CZ 3.79Å; L735-F753 HydrophobicContact CD1-CD1 3.78Å; L735-F753 HydrophobicContact CD1-CD2 4.06Å; L735-F753 HydrophobicContact CD1-CE1 3.78Å; L735-F753 HydrophobicContact CD1-CE2 4.06Å; L735-F753 HydrophobicContact CD1-CG 3.92Å; L735-F753 HydrophobicContact CD1-CZ 3.91Å; L735-F753 HydrophobicContact CD2-CD2 4.33Å; L735-F753 HydrophobicContact CD2-CE2 4.21Å; L735-F753 HydrophobicContact CG-CE2 4.35Å; L735-F753 HydrophobicContact CG-CZ 4.33Å; L735-V787 HydrophobicContact CD1-CG1 3.89Å; L735-V787 HydrophobicContact CD1-CG2 4.23Å; L735-L805 HydrophobicContact CB-CD2 4.08Å |
| 736 | K | 81.2 | Confident | 81.7 | Confident | 87 Ų | 87 | 54.3 Ų | 54.3 | 38% | 0.378 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 168.6 | -75.4 | -158.8 | 179.5 | -163.3 | 0 | 110.9 | A732 I733 N739 A740 E1361 | A732-K736 PolarHBondContact O-N 3.45Å; I733-K736 PolarHBondContact O-N 2.82Å; I733-K736 VanDerWaalsContact O-N 3.15Å; K736-N739 PolarHBondContact O-N 2.92Å; K736-A740 PolarHBondContact O-N 3.38Å; K736-E1361 IonicContact NZ-OE1 3.13Å; K736-E1361 PolarHBondContact NZ-OE1 3.36Å |
| 737 | E | 88.5 | Confident | 82.5 | Confident | 56 Ų | 56 | 52.6 Ų | 52.6 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.2 | -49.4 | -179.3 | -161.6 | -179.9 | 166.7 | 0 | 0 | 112.5 | I733 F734 N739 A740 I741 L809 R813 | I733-E737 WeakPolarHBondContact O-CB 3.5Å; I733-E737 PolarHBondContact O-N 3.23Å; F734-E737 PolarHBondContact O-N 3.42Å; E737-N739 VanDerWaalsContact C-N 3.28Å; E737-N739 PolarHBondContact O-N 2.85Å; E737-A740 WeakPolarHBondContact O-CB 3.33Å; E737-A740 PolarHBondContact O-N 3.29Å; E737-I741 HydrophobicContact CG-CD1 4.31Å; E737-I741 WeakPolarHBondContact O-CG1 3.42Å; E737-I741 PolarHBondContact O-N 2.97Å; E737-L809 HydrophobicContact CB-CD1 4.22Å; E737-L809 HydrophobicContact CB-CD2 4.26Å; E737-L809 HydrophobicContact CG-CD1 4.07Å; E737-L809 HydrophobicContact CG-CD2 4.49Å; E737-R813 VanDerWaalsContact CD-NH2 3.27Å; E737-R813 IonicContact OE1-CZ 2.61Å; E737-R813 VanDerWaalsContact OE1-CZ 3.28Å; E737-R813 IonicContact OE1-NE 2.66Å; E737-R813 PolarHBondContact OE1-NE 2.93Å; E737-R813 IonicContact OE1-NH2 3.34Å; E737-R813 PolarHBondContact OE1-NH2 2.95Å; E737-R813 IonicContact OE2-CZ 3.15Å; E737-R813 IonicContact OE2-NE 3.65Å; E737-R813 IonicContact OE2-NH2 3.96Å; E737-R813 PolarHBondContact OE2-NH2 3.25Å |
| 738 | A | 90.2 | Very high | 83.1 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.5 | -37.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | F734 S742 F751 L805 L809 M812 | F734-A738 WeakPolarHBondContact O-CB 3.49Å; F734-A738 PolarHBondContact O-N 2.73Å; A738-S742 WeakPolarHBondContact O-CB 3.33Å; A738-S742 PolarHBondContact O-N 3.23Å; A738-S742 VanDerWaalsContact O-N 3.08Å; A738-F751 HydrophobicContact CB-CD2 3.65Å; A738-F751 HydrophobicContact CB-CE2 3.87Å; A738-F751 HydrophobicContact CB-CG 4.06Å; A738-F751 HydrophobicContact CB-CZ 4.46Å; A738-F751 WeakPolarHBondContact O-CE2 3.4Å; A738-L805 HydrophobicContact CB-CD1 3.94Å; A738-L809 HydrophobicContact CB-CD1 4.14Å; A738-M812 HydrophobicContact CB-SD 3.98Å |
| 739 | N | 88.8 | Confident | 83.6 | Confident | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.8 | -38.1 | 174.2 | -79.8 | -66.5 | 0 | 0 | 0 | 112.6 | L735 K736 E737 S742 V743 F751 L1364 | L735-N739 PolarHBondContact O-N 2.89Å; L735-N739 PolarHBondContact O-ND2 3.04Å; K736-N739 PolarHBondContact O-N 2.92Å; E737-N739 VanDerWaalsContact C-N 3.28Å; E737-N739 PolarHBondContact O-N 2.85Å; N739-S742 PolarHBondContact O-N 2.92Å; N739-V743 WeakPolarHBondContact O-CG2 3.37Å; N739-V743 PolarHBondContact O-N 3.31Å; N739-V743 VanDerWaalsContact O-N 3.1Å; N739-F751 PolarHBondContact ND2-O 2.71Å; N739-F751 PolarHBondContact OD1-N 3.48Å; N739-F751 PolarHBondContact OD1-O 3.45Å; N739-L1364 HydrophobicContact CB-CD2 4.48Å |
| 740 | A | 84.2 | Confident | 84.6 | Confident | 44 Ų | 44 | 50.4 Ų | 50.4 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.7 | -52.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | K736 E737 S742 V743 E744 | K736-A740 PolarHBondContact O-N 3.38Å; E737-A740 WeakPolarHBondContact O-CB 3.33Å; E737-A740 PolarHBondContact O-N 3.29Å; A740-S742 VanDerWaalsContact C-N 3.3Å; A740-S742 PolarHBondContact O-N 2.8Å; A740-V743 PolarHBondContact O-N 3.33Å; A740-E744 PolarHBondContact O-N 3Å |
| 741 | I | 88.3 | Confident | 85.5 | Confident | 10 Ų | 10 | 48.3 Ų | 48.3 | 5% | 0.051 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61 | -39.3 | 179 | -55.9 | 169.9 | 0 | 0 | 0 | 110.8 | E737 V743 E744 L745 L809 M812 R813 Y816 F840 | E737-I741 HydrophobicContact CG-CD1 4.31Å; E737-I741 WeakPolarHBondContact O-CG1 3.42Å; E737-I741 PolarHBondContact O-N 2.97Å; I741-V743 VanDerWaalsContact C-N 3.32Å; I741-V743 PolarHBondContact O-N 2.89Å; I741-E744 PolarHBondContact O-N 3.15Å; I741-L745 HydrophobicContact CG2-CD1 3.64Å; I741-L745 HydrophobicContact CG2-CG 3.9Å; I741-L745 VanDerWaalsContact O-CB 3.31Å; I741-L745 WeakPolarHBondContact O-CB 3.37Å; I741-L745 WeakPolarHBondContact O-CG 3.49Å; I741-L745 PolarHBondContact O-N 3.13Å; I741-L809 HydrophobicContact CD1-CD1 3.89Å; I741-M812 HydrophobicContact CD1-CB 4.02Å; I741-M812 HydrophobicContact CG2-CB 4.24Å; I741-R813 HydrophobicContact CD1-CG 4.25Å; I741-Y816 HydrophobicContact CG2-CD2 4.06Å; I741-Y816 HydrophobicContact CG2-CG 4.31Å; I741-F840 HydrophobicContact CG2-CE1 4.49Å; I741-F840 HydrophobicContact CG2-CZ 3.95Å |
| 742 | S | 89.1 | Confident | 85.7 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.028 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.4 | -35.5 | 176.1 | -174.1 | 0 | 0 | 0 | 0 | 113.4 | A738 N739 A740 K746 K747 V749 | A738-S742 WeakPolarHBondContact O-CB 3.33Å; A738-S742 PolarHBondContact O-N 3.23Å; A738-S742 VanDerWaalsContact O-N 3.08Å; N739-S742 PolarHBondContact O-N 2.92Å; A740-S742 VanDerWaalsContact C-N 3.3Å; A740-S742 PolarHBondContact O-N 2.8Å; S742-K746 CarbonylContact O-C 3.48Å; S742-K746 WeakPolarHBondContact O-CA 3.43Å; S742-K746 PolarHBondContact O-N 3.04Å; S742-K747 PolarHBondContact O-N 3.35Å; S742-V749 WeakPolarHBondContact CB-O 3.48Å; S742-V749 PolarHBondContact OG-O 2.73Å |
| 743 | V | 84.8 | Confident | 86.2 | Confident | 64 Ų | 64 | 49.1 Ų | 49.1 | 39% | 0.388 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -72.1 | -46 | 175.9 | 168.6 | 0 | 0 | 0 | 0 | 111.1 | N739 A740 I741 K746 L1364 | N739-V743 WeakPolarHBondContact O-CG2 3.37Å; N739-V743 PolarHBondContact O-N 3.31Å; N739-V743 VanDerWaalsContact O-N 3.1Å; A740-V743 PolarHBondContact O-N 3.33Å; I741-V743 VanDerWaalsContact C-N 3.32Å; I741-V743 PolarHBondContact O-N 2.89Å; V743-K746 PolarHBondContact O-N 3.16Å; V743-K746 VanDerWaalsContact O-N 3.16Å; V743-L1364 HydrophobicContact CG2-CD2 3.79Å |
| 744 | E | 83.9 | Confident | 86.4 | Confident | 105 Ų | 105 | 44.7 Ų | 44.7 | 49% | 0.491 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.9 | -43.4 | -178.1 | -68.8 | 176.6 | 135.3 | 0 | 0 | 111.7 | A740 I741 K746 Y816 | A740-E744 PolarHBondContact O-N 3Å; I741-E744 PolarHBondContact O-N 3.15Å; E744-K746 PolarHBondContact O-N 3.23Å; E744-Y816 HydrophobicContact CB-CE2 3.98Å; E744-Y816 WeakPolarHBondContact OE2-CE2 3.49Å |
| 745 | L | 85.2 | Confident | 86.2 | Confident | 26 Ų | 26 | 42.9 Ų | 42.9 | 14% | 0.136 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 3 | 172.6 | -56.2 | -171.5 | 0 | 0 | 0 | 113.8 | I741 K747 L815 Y816 Q819 F840 | I741-L745 HydrophobicContact CG2-CD1 3.64Å; I741-L745 HydrophobicContact CG2-CG 3.9Å; I741-L745 VanDerWaalsContact O-CB 3.31Å; I741-L745 WeakPolarHBondContact O-CB 3.37Å; I741-L745 WeakPolarHBondContact O-CG 3.49Å; I741-L745 PolarHBondContact O-N 3.13Å; L745-K747 HydrophobicContact CB-CG 4.09Å; L745-K747 PolarHBondContact O-N 3.23Å; L745-K747 VanDerWaalsContact O-N 3.14Å; L745-L815 HydrophobicContact CD1-CB 4.21Å; L745-Y816 HydrophobicContact CD2-CD2 4Å; L745-Y816 HydrophobicContact CG-CD2 4.26Å; L745-Q819 HydrophobicContact CD2-CB 4.41Å; L745-F840 HydrophobicContact CD1-CE2 4.34Å; L745-F840 HydrophobicContact CD1-CZ 4.07Å |
| 746 | K | 85.3 | Confident | 85.8 | Confident | 174 Ų | 174 | 43.3 Ų | 43.3 | 76% | 0.757 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 31.1 | 174.6 | -58 | 168.2 | -168.7 | 162.5 | 0 | 114.6 | S742 V743 E744 Q748 | S742-K746 CarbonylContact O-C 3.48Å; S742-K746 WeakPolarHBondContact O-CA 3.43Å; S742-K746 PolarHBondContact O-N 3.04Å; V743-K746 PolarHBondContact O-N 3.16Å; V743-K746 VanDerWaalsContact O-N 3.16Å; E744-K746 PolarHBondContact O-N 3.23Å; K746-Q748 PolarHBondContact O-N 2.97Å |
| 747 | K | 84.1 | Confident | 85.7 | Confident | 49 Ų | 49 | 39.6 Ų | 39.6 | 21% | 0.213 | 20% | 0.197 | C | C | . | . | trans | -67.2 | -15.6 | -171.1 | -78.5 | -85.4 | 179.9 | 161.9 | 0 | 115.2 | S742 L745 V749 D838 F840 | S742-K747 PolarHBondContact O-N 3.35Å; L745-K747 HydrophobicContact CB-CG 4.09Å; L745-K747 PolarHBondContact O-N 3.23Å; L745-K747 VanDerWaalsContact O-N 3.14Å; K747-V749 VanDerWaalsContact C-N 3.27Å; K747-V749 PolarHBondContact O-N 2.91Å; K747-D838 IonicContact NZ-OD1 3.69Å; K747-D838 PolarHBondContact NZ-OD1 2.85Å; K747-D838 IonicContact NZ-OD2 3.27Å; K747-D838 PolarHBondContact NZ-OD2 2.62Å; K747-F840 HydrophobicContact CB-CD1 3.95Å; K747-F840 HydrophobicContact CB-CE1 4.3Å; K747-F840 HydrophobicContact CB-CG 4.11Å; K747-F840 HydrophobicContact CD-CB 4.38Å; K747-F840 HydrophobicContact CD-CD1 4.45Å; K747-F840 HydrophobicContact CD-CD2 3.57Å; K747-F840 HydrophobicContact CD-CE2 3.95Å; K747-F840 HydrophobicContact CD-CG 3.86Å; K747-F840 HydrophobicContact CG-CD1 3.92Å; K747-F840 HydrophobicContact CG-CD2 3.8Å; K747-F840 HydrophobicContact CG-CE1 3.99Å; K747-F840 HydrophobicContact CG-CE2 3.84Å; K747-F840 HydrophobicContact CG-CG 3.85Å; K747-F840 HydrophobicContact CG-CZ 3.95Å | ||
| 748 | Q | 83.9 | Confident | 85 | Confident | 120 Ų | 120 | 37.5 Ų | 37.5 | 56% | 0.561 | 19% | 0.187 | S | C | * | . | trans | 60.1 | 31.3 | -175 | -54.8 | -170.2 | 7.5 | 0 | 0 | 114.4 | K746 F792 | K746-Q748 PolarHBondContact O-N 2.97Å; Q748-F792 WeakPolarHBondContact O-CB 3.31Å; Q748-F792 WeakPolarHBondContact O-CD2 3.48Å; Q748-F792 PolarHBondContact O-N 3.48Å | ||
| 749 | V | 87 | Confident | 84.2 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 139.9 | 172.8 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | S742 K747 F751 V789 Q790 D791 F840 Y841 | S742-V749 WeakPolarHBondContact CB-O 3.48Å; S742-V749 PolarHBondContact OG-O 2.73Å; K747-V749 VanDerWaalsContact C-N 3.27Å; K747-V749 PolarHBondContact O-N 2.91Å; V749-F751 HydrophobicContact CG1-CE1 4.25Å; V749-F751 HydrophobicContact CG1-CE2 4.3Å; V749-F751 HydrophobicContact CG1-CZ 3.95Å; V749-V789 HydrophobicContact CG1-CG1 3.45Å; V749-V789 VanDerWaalsContact CG1-CG1 3.45Å; V749-Q790 CarbonylContact C-O 3.59Å; V749-Q790 VanDerWaalsContact CA-O 3.31Å; V749-Q790 WeakPolarHBondContact CA-O 3.47Å; V749-D791 HydrophobicContact CG2-CB 4.4Å; V749-F840 HydrophobicContact CB-CB 4.41Å; V749-F840 HydrophobicContact CG2-CB 4.06Å; V749-Y841 HydrophobicContact CG2-CD1 3.98Å |
| 750 | Q | 87.2 | Confident | 83.4 | Confident | 38 Ų | 38 | 39 Ų | 39 | 18% | 0.178 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 134.5 | 174.4 | 175.3 | 177.4 | -27.3 | 0 | 0 | 110.9 | Q790 F792 | Q750-Q790 PolarHBondContact N-O 2.89Å; Q750-Q790 PolarHBondContact O-N 2.91Å; Q750-F792 HydrophobicContact CB-CE2 3.69Å; Q750-F792 HydrophobicContact CB-CZ 4.22Å |
| 751 | F | 90.1 | Very high | 83 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128.7 | 176.1 | -53.3 | -86.3 | 0 | 0 | 0 | 109.6 | L735 A738 N739 V749 V787 E788 V789 W800 L805 M812 F840 | L735-F751 HydrophobicContact CD1-CB 4.41Å; L735-F751 HydrophobicContact CG-CB 4.25Å; A738-F751 HydrophobicContact CB-CD2 3.65Å; A738-F751 HydrophobicContact CB-CE2 3.87Å; A738-F751 HydrophobicContact CB-CG 4.06Å; A738-F751 HydrophobicContact CB-CZ 4.46Å; A738-F751 WeakPolarHBondContact O-CE2 3.4Å; N739-F751 PolarHBondContact ND2-O 2.71Å; N739-F751 PolarHBondContact OD1-N 3.48Å; N739-F751 PolarHBondContact OD1-O 3.45Å; V749-F751 HydrophobicContact CG1-CE1 4.25Å; V749-F751 HydrophobicContact CG1-CE2 4.3Å; V749-F751 HydrophobicContact CG1-CZ 3.95Å; F751-V787 HydrophobicContact CB-CG1 4.01Å; F751-V787 HydrophobicContact CD1-CG1 4.22Å; F751-E788 WeakPolarHBondContact CA-O 3.3Å; F751-V789 HydrophobicContact CD1-CB 4.39Å; F751-V789 HydrophobicContact CD1-CG1 4Å; F751-V789 HydrophobicContact CD1-CG2 3.83Å; F751-V789 HydrophobicContact CE1-CB 4.46Å; F751-V789 HydrophobicContact CE1-CG1 3.67Å; F751-V789 HydrophobicContact CE1-CG2 4.06Å; F751-V789 HydrophobicContact CZ-CG1 4.48Å; F751-W800 HydrophobicContact CD1-CZ3 4.34Å; F751-W800 HydrophobicContact CE1-CE3 4.38Å; F751-W800 AromaticContact CE1-CH2 3.99Å; F751-W800 HydrophobicContact CE1-CH2 3.99Å; F751-W800 AromaticContact CE1-CZ3 3.63Å; F751-W800 HydrophobicContact CE1-CZ3 3.63Å; F751-L805 HydrophobicContact CD1-CD1 4.28Å; F751-M812 HydrophobicContact CE1-CE 3.98Å; F751-M812 HydrophobicContact CE2-CE 4.34Å; F751-M812 HydrophobicContact CE2-SD 4.35Å; F751-M812 HydrophobicContact CZ-CE 3.57Å; F751-M812 HydrophobicContact CZ-SD 4.12Å; F751-F840 HydrophobicContact CE2-CD1 4.1Å; F751-F840 AromaticContact CZ-CD1 3.95Å; F751-F840 HydrophobicContact CZ-CD1 3.95Å |
| 752 | Q | 86.3 | Confident | 82.3 | Confident | 39 Ų | 39 | 37.5 Ų | 37.5 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 142.5 | 177 | -162 | -154.6 | -97.7 | 0 | 0 | 110.2 | I754 V787 E788 | Q752-I754 PolarHBondContact O-N 3.08Å; Q752-V787 CarbonylContact O-C 3.51Å; Q752-V787 WeakPolarHBondContact O-CA 3.12Å; Q752-E788 PolarHBondContact N-O 3.1Å; Q752-E788 PolarHBondContact O-N 3.41Å |
| 753 | F | 87.8 | Confident | 81.5 | Confident | 29 Ų | 29 | 38.3 Ų | 38.3 | 13% | 0.127 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 138.5 | 166.8 | -68.5 | -60.6 | 0 | 0 | 0 | 110.7 | L728 N731 A732 L735 V785 L802 L1374 | L728-F753 HydrophobicContact CD2-CB 3.75Å; L728-F753 HydrophobicContact CD2-CD1 3.86Å; L728-F753 HydrophobicContact CD2-CD2 3.75Å; L728-F753 HydrophobicContact CD2-CE1 4.4Å; L728-F753 HydrophobicContact CD2-CE2 4.3Å; L728-F753 HydrophobicContact CD2-CG 3.51Å; N731-F753 HydrophobicContact CB-CE1 4.25Å; N731-F753 HydrophobicContact CB-CZ 4.2Å; A732-F753 HydrophobicContact CB-CE2 4.35Å; L735-F753 HydrophobicContact CB-CE1 4.33Å; L735-F753 HydrophobicContact CB-CE2 4.09Å; L735-F753 HydrophobicContact CB-CZ 3.79Å; L735-F753 HydrophobicContact CD1-CD1 3.78Å; L735-F753 HydrophobicContact CD1-CD2 4.06Å; L735-F753 HydrophobicContact CD1-CE1 3.78Å; L735-F753 HydrophobicContact CD1-CE2 4.06Å; L735-F753 HydrophobicContact CD1-CG 3.92Å; L735-F753 HydrophobicContact CD1-CZ 3.91Å; L735-F753 HydrophobicContact CD2-CD2 4.33Å; L735-F753 HydrophobicContact CD2-CE2 4.21Å; L735-F753 HydrophobicContact CG-CE2 4.35Å; L735-F753 HydrophobicContact CG-CZ 4.33Å; F753-V785 HydrophobicContact CD1-CG1 3.69Å; F753-V785 HydrophobicContact CE1-CG1 4.19Å; F753-L802 HydrophobicContact CD1-CD2 4.41Å; F753-L802 HydrophobicContact CE1-CD2 3.83Å; F753-L1374 HydrophobicContact CB-CD2 3.97Å |
| 754 | I | 82.6 | Confident | 80.8 | Confident | 23 Ų | 23 | 35.8 Ų | 35.8 | 12% | 0.118 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 144.7 | 167.6 | -170 | 166.3 | 0 | 0 | 0 | 108.4 | Q752 L756 A786 E788 Y799 | Q752-I754 PolarHBondContact O-N 3.08Å; I754-L756 HydrophobicContact CD1-CD2 3.97Å; I754-L756 HydrophobicContact CG1-CD2 4.08Å; I754-L756 HydrophobicContact CG1-CG 4.46Å; I754-L756 HydrophobicContact CG2-CD1 4.29Å; I754-L756 HydrophobicContact CG2-CD2 4.4Å; I754-L756 HydrophobicContact CG2-CG 4.12Å; I754-A786 HydrophobicContact CG2-CB 4.01Å; I754-A786 PolarHBondContact N-O 3.05Å; I754-A786 PolarHBondContact O-N 2.66Å; I754-A786 VanDerWaalsContact O-O 3.1Å; I754-E788 HydrophobicContact CB-CB 4.17Å; I754-E788 HydrophobicContact CG2-CB 3.99Å; I754-Y799 HydrophobicContact CD1-CE1 3.74Å; I754-Y799 HydrophobicContact CG2-CD1 3.9Å; I754-Y799 HydrophobicContact CG2-CE1 4.02Å |
| 755 | L | 83.6 | Confident | 80.2 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 131.2 | 168.8 | -66.5 | 178.3 | 0 | 0 | 0 | 107.8 | L724 T783 V785 L1374 I1375 H1378 | L724-L755 HydrophobicContact CD1-CD2 4.2Å; L724-L755 HydrophobicContact CD2-CD2 4.04Å; L724-L755 HydrophobicContact CG-CD2 4.5Å; L755-T783 HydrophobicContact CB-CG2 4.08Å; L755-T783 HydrophobicContact CD2-CG2 4.3Å; L755-V785 HydrophobicContact CD2-CG2 3.95Å; L755-L1374 HydrophobicContact CD1-CG 4.31Å; L755-L1374 HydrophobicContact CG-CD2 4.32Å; L755-L1374 HydrophobicContact CG-CG 4.19Å; L755-I1375 HydrophobicContact CD1-CG1 3.93Å; L755-H1378 HydrophobicContact CB-CB 4Å; L755-H1378 VanDerWaalsContact CB-CG 3.48Å; L755-H1378 HydrophobicContact CD1-CB 4.07Å; L755-H1378 PolarHBondContact O-CD2 3.3Å |
| 756 | L | 79.9 | Confident | 79.4 | Confident | 21 Ų | 21 | 35.8 Ų | 35.8 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133.8 | 178.6 | -61.8 | 173.5 | 0 | 0 | 0 | 109.1 | I754 L764 L768 T783 V784 A786 Y799 | I754-L756 HydrophobicContact CD1-CD2 3.97Å; I754-L756 HydrophobicContact CG1-CD2 4.08Å; I754-L756 HydrophobicContact CG1-CG 4.46Å; I754-L756 HydrophobicContact CG2-CD1 4.29Å; I754-L756 HydrophobicContact CG2-CD2 4.4Å; I754-L756 HydrophobicContact CG2-CG 4.12Å; L756-L764 HydrophobicContact CB-CD2 3.55Å; L756-L768 HydrophobicContact CD1-CD1 3.68Å; L756-T783 CarbonylContact O-C 3.59Å; L756-T783 VanDerWaalsContact O-CA 3.29Å; L756-T783 WeakPolarHBondContact O-CA 3.39Å; L756-V784 HydrophobicContact CB-CG2 4.26Å; L756-V784 PolarHBondContact N-O 3.29Å; L756-V784 VanDerWaalsContact N-O 3.09Å; L756-V784 PolarHBondContact O-N 2.71Å; L756-A786 HydrophobicContact CD1-CB 3.68Å; L756-A786 HydrophobicContact CG-CB 4.28Å; L756-Y799 HydrophobicContact CD1-CD1 4.22Å; L756-Y799 HydrophobicContact CD1-CG 4.14Å |
| 757 | T | 78.2 | Confident | 78.8 | Confident | 9 Ų | 9 | 32.9 Ų | 32.9 | 6% | 0.055 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.4 | 177.5 | -57.4 | 0 | 0 | 0 | 0 | 109.5 | T759 P781 T783 H1378 | T757-T759 HydrophobicContact CG2-CG2 3.89Å; T757-T759 PolarHBondContact O-N 2.91Å; T757-P781 HydrophobicContact CG2-CB 3.68Å; T757-P781 HydrophobicContact CG2-CG 3.67Å; T757-T783 PolarHBondContact OG1-OG1 3.19Å; T757-H1378 PolarHBondContact OG1-NE2 3.2Å |
| 758 | D | 74.4 | Confident | 78.5 | Confident | 12 Ų | 12 | 31.1 Ų | 31.1 | 6% | 0.064 | 17% | 0.169 | C | C | . | . | trans | -63 | 110 | 170.7 | -175.5 | 45.1 | 0 | 0 | 0 | 110.6 | P763 L764 P781 K782 S935 L936 | D758-P763 VanDerWaalsContact OD1-CA 3.3Å; D758-P763 WeakPolarHBondContact OD1-CA 3.38Å; D758-L764 HydrophobicContact CB-CD1 4.07Å; D758-L764 HydrophobicContact CB-CG 4.03Å; D758-L764 PolarHBondContact OD1-N 3.28Å; D758-P781 WeakPolarHBondContact O-CB 3.34Å; D758-K782 PolarHBondContact N-O 3.43Å; D758-S935 PolarHBondContact OD1-OG 3.49Å; D758-L936 HydrophobicContact CB-CD1 4.19Å; D758-L936 WeakPolarHBondContact OD2-CD1 3.49Å | ||
| 759 | T | 73.3 | Confident | 77.7 | Confident | 18 Ų | 18 | 27.2 Ų | 27.2 | 11% | 0.11 | 15% | 0.151 | C | C | . | . | trans | -138.3 | 156.3 | 179.4 | 66.3 | 0 | 0 | 0 | 0 | 110.7 | T757 Y761 S762 P763 L1385 | T757-T759 HydrophobicContact CG2-CG2 3.89Å; T757-T759 PolarHBondContact O-N 2.91Å; T759-Y761 PolarHBondContact O-N 2.84Å; T759-Y761 VanDerWaalsContact O-N 3.1Å; T759-S762 PolarHBondContact N-O 2.99Å; T759-S762 CarbonylContact O-C 3.59Å; T759-S762 PolarHBondContact O-N 3.01Å; T759-S762 VanDerWaalsContact O-N 3.07Å; T759-S762 PolarHBondContact OG1-N 3.22Å; T759-S762 VanDerWaalsContact OG1-N 3.1Å; T759-S762 PolarHBondContact OG1-O 3.16Å; T759-P763 WeakPolarHBondContact O-CA 3.43Å; T759-L1385 HydrophobicContact CG2-CD1 4.36Å | ||
| 760 | M | 72.3 | Confident | 76.5 | Confident | 23 Ų | 23 | 28.8 Ų | 28.8 | 11% | 0.113 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -52.8 | -35.9 | 176.7 | -70.7 | -71 | -64.6 | 0 | 0 | 113.8 | R852 F854 L1031 P1075 I1077 | M760-R852 WeakPolarHBondContact O-CD 3.19Å; M760-F854 HydrophobicContact CB-CE1 4.28Å; M760-F854 HydrophobicContact CB-CE2 4.04Å; M760-F854 HydrophobicContact CB-CZ 3.7Å; M760-F854 HydrophobicContact CE-CD1 4.07Å; M760-F854 HydrophobicContact CE-CE1 3.82Å; M760-F854 HydrophobicContact CE-CZ 4.36Å; M760-F854 VanDerWaalsContact O-CZ 3.26Å; M760-F854 WeakPolarHBondContact O-CZ 2.93Å; M760-L1031 HydrophobicContact CE-CD1 3.66Å; M760-L1031 HydrophobicContact SD-CD1 3.84Å; M760-P1075 HydrophobicContact CE-CG 3.73Å; M760-I1077 HydrophobicContact CE-CD1 3.77Å; M760-I1077 HydrophobicContact CE-CG1 3.96Å |
| 761 | Y | 75.3 | Confident | 75.1 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -80.2 | -33.4 | 179 | -75 | -68.7 | 0 | 0 | 0 | 113 | T759 R852 F854 V873 L1385 L1388 Q1389 | T759-Y761 PolarHBondContact O-N 2.84Å; T759-Y761 VanDerWaalsContact O-N 3.1Å; Y761-R852 WeakPolarHBondContact O-CD 3.3Å; Y761-R852 PolarHBondContact O-NH1 2.63Å; Y761-F854 HydrophobicContact CD1-CD2 4.48Å; Y761-F854 AromaticContact CD1-CE2 3.48Å; Y761-F854 HydrophobicContact CD1-CE2 3.48Å; Y761-F854 VanDerWaalsContact CD1-CE2 3.48Å; Y761-F854 AromaticContact CD1-CZ 3.96Å; Y761-F854 HydrophobicContact CD1-CZ 3.96Å; Y761-F854 HydrophobicContact CD2-CE2 4.11Å; Y761-F854 AromaticContact CE1-CD2 3.89Å; Y761-F854 HydrophobicContact CE1-CD2 3.89Å; Y761-F854 AromaticContact CE1-CE2 3.31Å; Y761-F854 HydrophobicContact CE1-CE2 3.31Å; Y761-F854 HydrophobicContact CE1-CZ 4.18Å; Y761-F854 AromaticContact CE2-CE2 3.99Å; Y761-F854 HydrophobicContact CE2-CE2 3.99Å; Y761-F854 AromaticContact CG-CE2 3.88Å; Y761-F854 HydrophobicContact CG-CE2 3.88Å; Y761-F854 HydrophobicContact CG-CZ 4.32Å; Y761-F854 AromaticContact CZ-CD2 3.94Å; Y761-F854 AromaticContact CZ-CE2 3.58Å; Y761-V873 HydrophobicContact CD1-CB 3.76Å; Y761-V873 HydrophobicContact CD1-CG1 4.06Å; Y761-V873 HydrophobicContact CD1-CG2 4.35Å; Y761-V873 HydrophobicContact CE1-CB 3.56Å; Y761-V873 HydrophobicContact CE1-CG1 4.01Å; Y761-V873 HydrophobicContact CE1-CG2 3.62Å; Y761-L1385 HydrophobicContact CD2-CB 4.25Å; Y761-L1385 HydrophobicContact CD2-CD2 3.75Å; Y761-L1385 HydrophobicContact CG-CD2 4.03Å; Y761-L1388 HydrophobicContact CE2-CB 3.93Å; Y761-Q1389 HydrophobicContact CD2-CG 4.32Å; Y761-Q1389 HydrophobicContact CE2-CG 3.77Å |
| 762 | S | 73.3 | Confident | 73.6 | Confident | 20 Ų | 20 | 37.5 Ų | 37.5 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -137.2 | 82.3 | -178.2 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | T759 | T759-S762 PolarHBondContact N-O 2.99Å; T759-S762 CarbonylContact O-C 3.59Å; T759-S762 PolarHBondContact O-N 3.01Å; T759-S762 VanDerWaalsContact O-N 3.07Å; T759-S762 PolarHBondContact OG1-N 3.22Å; T759-S762 VanDerWaalsContact OG1-N 3.1Å; T759-S762 PolarHBondContact OG1-O 3.16Å |
| 763 | P | 71.9 | Confident | 72.1 | Confident | 21 Ų | 21 | 39 Ų | 39 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -74 | 153.9 | 175.1 | 32.2 | -32.7 | 0 | 0 | 0 | 109.7 | D758 T759 P765 R852 | D758-P763 VanDerWaalsContact OD1-CA 3.3Å; D758-P763 WeakPolarHBondContact OD1-CA 3.38Å; T759-P763 WeakPolarHBondContact O-CA 3.43Å; P763-P765 WeakPolarHBondContact O-CD 3.2Å; P763-R852 VanDerWaalsContact CD-CZ 3.47Å; P763-R852 VanDerWaalsContact CD-NH1 3.29Å |
| 764 | L | 70.9 | Confident | 70.3 | Confident | 10 Ų | 10 | 41.8 Ų | 41.8 | 5% | 0.052 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 130.2 | 177 | -70 | 176.7 | 0 | 0 | 0 | 111.4 | L756 D758 L769 V784 L936 | L756-L764 HydrophobicContact CB-CD2 3.55Å; D758-L764 HydrophobicContact CB-CD1 4.07Å; D758-L764 HydrophobicContact CB-CG 4.03Å; D758-L764 PolarHBondContact OD1-N 3.28Å; L764-L769 HydrophobicContact CB-CD2 3.7Å; L764-L769 HydrophobicContact CD1-CD2 3.92Å; L764-L769 HydrophobicContact CG-CD2 4.47Å; L764-V784 HydrophobicContact CD1-CG1 4.18Å; L764-V784 HydrophobicContact CD1-CG2 3.92Å; L764-V784 HydrophobicContact CD2-CG2 3.87Å; L764-L936 HydrophobicContact CB-CD2 4.29Å; L764-L936 WeakPolarHBondContact O-CD2 3.34Å |
| 765 | P | 70.9 | Confident | 68.8 | Low | 63 Ų | 63 | 42.3 Ų | 42.3 | 41% | 0.409 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 146.3 | 161.7 | -27.5 | 33.2 | 0 | 0 | 0 | 112.4 | P763 D767 L768 | P763-P765 WeakPolarHBondContact O-CD 3.2Å; P765-D767 PolarHBondContact O-N 2.68Å; P765-L768 HydrophobicContact CG-CD1 4.27Å; P765-L768 PolarHBondContact O-N 3.27Å |
| 766 | P | 69.5 | Low | 67.1 | Low | 68 Ų | 68 | 44.9 Ų | 44.9 | 44% | 0.442 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -52.2 | -40.1 | 178 | -28.5 | 36.4 | 0 | 0 | 0 | 113.8 | L768 L769 | P766-L768 PolarHBondContact O-N 2.93Å; P766-L769 WeakPolarHBondContact O-CB 3.33Å; P766-L769 PolarHBondContact O-N 2.85Å |
| 767 | D | 73.1 | Confident | 65.6 | Low | 114 Ų | 114 | 51 Ų | 51 | 61% | 0.61 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -57.1 | -20.5 | 177.6 | -52.5 | 22 | 0 | 0 | 0 | 114.4 | P765 S801 | P765-D767 PolarHBondContact O-N 2.68Å; D767-S801 WeakPolarHBondContact O-CB 3.24Å |
| 768 | L | 76.7 | Confident | 64.4 | Low | 12 Ų | 12 | 52.2 Ų | 52.2 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -102.1 | 2.1 | 179.5 | -63.8 | -178.6 | 0 | 0 | 0 | 112.7 | L756 P765 P766 A786 W800 S801 | L756-L768 HydrophobicContact CD1-CD1 3.68Å; P765-L768 HydrophobicContact CG-CD1 4.27Å; P765-L768 PolarHBondContact O-N 3.27Å; P766-L768 PolarHBondContact O-N 2.93Å; L768-A786 HydrophobicContact CD1-CB 4.32Å; L768-A786 HydrophobicContact CD2-CB 4.03Å; L768-W800 VanDerWaalsContact CD2-C 3.46Å; L768-S801 VanDerWaalsContact CD2-N 3.27Å |
| 769 | L | 67.8 | Low | 63.3 | Low | 37 Ų | 37 | 53.8 Ų | 53.8 | 19% | 0.194 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -88.3 | 137 | 174.7 | -55.4 | -179.3 | 0 | 0 | 0 | 110.7 | L764 P766 L775 L936 | L764-L769 HydrophobicContact CB-CD2 3.7Å; L764-L769 HydrophobicContact CD1-CD2 3.92Å; L764-L769 HydrophobicContact CG-CD2 4.47Å; P766-L769 WeakPolarHBondContact O-CB 3.33Å; P766-L769 PolarHBondContact O-N 2.85Å; L769-L775 HydrophobicContact CD1-CD1 3.99Å; L769-L775 HydrophobicContact CD2-CD1 4.38Å; L769-L936 HydrophobicContact CD1-CB 3.99Å; L769-L936 HydrophobicContact CD1-CD1 4.13Å; L769-L936 HydrophobicContact CD1-CD2 4.23Å; L769-L936 HydrophobicContact CD1-CG 4.35Å; L769-L936 HydrophobicContact CD2-CD1 3.65Å; L769-L936 HydrophobicContact CD2-CD2 4.24Å; L769-L936 HydrophobicContact CD2-CG 4.48Å |
| 770 | P | 60.9 | Low | 62.5 | Low | 40 Ų | 40 | 56.8 Ų | 56.8 | 26% | 0.26 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 128.4 | 171.6 | -22.3 | 34.7 | 0 | 0 | 0 | 110.9 | G772 E773 K782 | P770-G772 PolarHBondContact O-N 3Å; P770-E773 HydrophobicContact CB-CG 4.18Å; P770-E773 WeakPolarHBondContact CG-OE2 3.25Å; P770-K782 HydrophobicContact CG-CD 4.31Å |
| 771 | P | 58.5 | Low | 62.1 | Low | 132 Ų | 132 | 57.2 Ų | 57.2 | 86% | 0.857 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 137.9 | 179 | 25.4 | -33.8 | 0 | 0 | 0 | 111.1 | E773 | P771-E773 PolarHBondContact O-N 2.68Š|
| 772 | G | 59.4 | Low | 61.9 | Low | 89 Ų | 89 | 59.7 Ų | 59.7 | 92% | 0.918 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | -3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | P770 D774 | P770-G772 PolarHBondContact O-N 3Å; G772-D774 PolarHBondContact O-N 2.82Å |
| 773 | E | 53.9 | Low | 62 | Low | 70 Ų | 70 | 59 Ų | 59 | 33% | 0.327 | 34% | 0.343 | S | S | . | . | trans | -84.7 | 110.9 | 174.2 | -71.8 | -167.7 | 134.7 | 0 | 0 | 112.1 | P770 P771 L775 R778 K782 | P770-E773 HydrophobicContact CB-CG 4.18Å; P770-E773 WeakPolarHBondContact CG-OE2 3.25Å; P771-E773 PolarHBondContact O-N 2.68Å; E773-L775 PolarHBondContact O-N 2.73Å; E773-R778 IonicContact OE1-CZ 3.16Å; E773-R778 IonicContact OE1-NH1 2.69Å; E773-R778 IonicContact OE1-NH2 2.77Å; E773-R778 PolarHBondContact OE1-NH2 2.96Å; E773-R778 IonicContact OE2-CZ 3.12Å; E773-R778 VanDerWaalsContact OE2-CZ 3.27Å; E773-R778 IonicContact OE2-NH1 3.75Å; E773-R778 PolarHBondContact OE2-NH1 3.3Å; E773-R778 IonicContact OE2-NH2 2.78Å; E773-R778 PolarHBondContact OE2-NH2 3.39Å; E773-K782 VanDerWaalsContact CD-NZ 3.26Å; E773-K782 IonicContact OE1-NZ 2.67Å; E773-K782 PolarHBondContact OE1-NZ 3.27Å; E773-K782 IonicContact OE2-NZ 2.76Å; E773-K782 PolarHBondContact OE2-NZ 3.06Å | ||
| 774 | D | 50.8 | Low | 62.3 | Low | 89 Ų | 89 | 58.7 Ų | 58.7 | 48% | 0.476 | 34% | 0.34 | S | S | . | . | trans | -69 | 98.9 | 171.1 | -168.2 | -21.8 | 0 | 0 | 0 | 110.9 | G772 S776 F777 | G772-D774 PolarHBondContact O-N 2.82Å; D774-S776 PolarHBondContact O-N 3.13Å; D774-S776 VanDerWaalsContact OD1-CB 3.29Å; D774-S776 WeakPolarHBondContact OD1-CB 3.39Å; D774-S776 PolarHBondContact OD1-N 2.88Å; D774-S776 VanDerWaalsContact OD1-N 3.1Å; D774-S776 PolarHBondContact OD1-OG 2.83Å; D774-F777 HydrophobicContact CB-CD2 4.3Å | ||
| 775 | L | 51 | Low | 62.9 | Low | 34 Ų | 34 | 58.7 Ų | 58.7 | 18% | 0.178 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -64.6 | -18.9 | -175.7 | -73.8 | 143.2 | 0 | 0 | 0 | 113.6 | L769 E773 F777 R778 L936 | L769-L775 HydrophobicContact CD1-CD1 3.99Å; L769-L775 HydrophobicContact CD2-CD1 4.38Å; E773-L775 PolarHBondContact O-N 2.73Å; L775-F777 PolarHBondContact O-N 3.44Å; L775-R778 PolarHBondContact O-N 3.41Å; L775-L936 HydrophobicContact CD1-CB 4.14Å; L775-L936 HydrophobicContact CD1-CD1 3.71Å; L775-L936 HydrophobicContact CD2-CD1 3.97Å; L775-L936 HydrophobicContact CG-CD1 4.36Å |
| 776 | S | 47.9 | Very low | 63.7 | Low | 57 Ų | 57 | 55.7 Ų | 55.7 | 40% | 0.399 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -64.1 | -23.1 | -176.7 | 67.8 | 0 | 0 | 0 | 0 | 113.8 | D774 | D774-S776 PolarHBondContact O-N 3.13Å; D774-S776 VanDerWaalsContact OD1-CB 3.29Å; D774-S776 WeakPolarHBondContact OD1-CB 3.39Å; D774-S776 PolarHBondContact OD1-N 2.88Å; D774-S776 VanDerWaalsContact OD1-N 3.1Å; D774-S776 PolarHBondContact OD1-OG 2.83Å |
| 777 | F | 48.8 | Very low | 64.5 | Low | 151 Ų | 151 | 52.4 Ų | 52.4 | 66% | 0.662 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -90.7 | 8.6 | -179.3 | -68.9 | -83.3 | 0 | 0 | 0 | 114.5 | D774 L775 P779 | D774-F777 HydrophobicContact CB-CD2 4.3Å; L775-F777 PolarHBondContact O-N 3.44Å; F777-P779 WeakPolarHBondContact O-CD 3.11Å |
| 778 | R | 52 | Low | 65.3 | Low | 34 Ų | 34 | 47.4 Ų | 47.4 | 13% | 0.128 | 27% | 0.273 | C | S | . | . | trans | -89.8 | 120.3 | -176.3 | -76.3 | -164.9 | 154.9 | 114 | 9.8 | 113.7 | F718 E773 L775 Y780 K782 A933 | F718-R778 HydrophobicContact CE1-CG 4.28Å; E773-R778 IonicContact OE1-CZ 3.16Å; E773-R778 IonicContact OE1-NH1 2.69Å; E773-R778 IonicContact OE1-NH2 2.77Å; E773-R778 PolarHBondContact OE1-NH2 2.96Å; E773-R778 IonicContact OE2-CZ 3.12Å; E773-R778 VanDerWaalsContact OE2-CZ 3.27Å; E773-R778 IonicContact OE2-NH1 3.75Å; E773-R778 PolarHBondContact OE2-NH1 3.3Å; E773-R778 IonicContact OE2-NH2 2.78Å; E773-R778 PolarHBondContact OE2-NH2 3.39Å; L775-R778 PolarHBondContact O-N 3.41Å; R778-Y780 VanDerWaalsContact C-N 3.26Å; R778-Y780 PolarHBondContact O-N 2.88Å; R778-K782 VanDerWaalsContact CZ-CD 3.5Å; R778-A933 WeakPolarHBondContact O-CB 3.41Å | ||
| 779 | P | 51.4 | Low | 65.9 | Low | 45 Ų | 45 | 46.8 Ų | 46.8 | 29% | 0.292 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -74.7 | -13.8 | 174.9 | 29.9 | -34.2 | 0 | 0 | 0 | 114 | F718 F777 | F718-P779 HydrophobicContact CD2-CG 3.51Å; F718-P779 VanDerWaalsContact CE2-CD 3.41Å; F718-P779 HydrophobicContact CE2-CG 3.69Å; F718-P779 HydrophobicContact CG-CG 4.3Å; F777-P779 WeakPolarHBondContact O-CD 3.11Å |
| 780 | Y | 57 | Low | 66.7 | Low | 80 Ų | 80 | 47.2 Ų | 47.2 | 31% | 0.314 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -139.5 | 149 | 179.5 | -53.7 | -70 | 0 | 0 | 0 | 109.4 | F718 R778 | F718-Y780 HydrophobicContact CB-CD2 4.17Å; R778-Y780 VanDerWaalsContact C-N 3.26Å; R778-Y780 PolarHBondContact O-N 2.88Å |
| 781 | P | 63.8 | Low | 67.8 | Low | 33 Ų | 33 | 45.5 Ų | 45.5 | 21% | 0.214 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 147.4 | 178.3 | 28.8 | -34.3 | 0 | 0 | 0 | 110.9 | Q720 T757 D758 S932 | Q720-P781 PolarHBondContact NE2-O 3.12Å; T757-P781 HydrophobicContact CG2-CB 3.68Å; T757-P781 HydrophobicContact CG2-CG 3.67Å; D758-P781 WeakPolarHBondContact O-CB 3.34Å; P781-S932 WeakPolarHBondContact CD-OG 3.49Å |
| 782 | K | 69.8 | Low | 68.9 | Low | 55 Ų | 55 | 44.7 Ų | 44.7 | 24% | 0.239 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -81 | 133.9 | 172.2 | -176.4 | 156.2 | 176.8 | 171 | 0 | 109.3 | D758 P770 E773 R778 V784 | D758-K782 PolarHBondContact N-O 3.43Å; P770-K782 HydrophobicContact CG-CD 4.31Å; E773-K782 VanDerWaalsContact CD-NZ 3.26Å; E773-K782 IonicContact OE1-NZ 2.67Å; E773-K782 PolarHBondContact OE1-NZ 3.27Å; E773-K782 IonicContact OE2-NZ 2.76Å; E773-K782 PolarHBondContact OE2-NZ 3.06Å; R778-K782 VanDerWaalsContact CZ-CD 3.5Å; K782-V784 HydrophobicContact CG-CG1 4.14Å |
| 783 | T | 76.4 | Confident | 69.6 | Low | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 139.5 | 162 | -58.1 | 0 | 0 | 0 | 0 | 107.8 | Q720 L724 L755 L756 T757 H1378 | Q720-T783 PolarHBondContact NE2-OG1 3Å; Q720-T783 PolarHBondContact OE1-OG1 3.36Å; L724-T783 HydrophobicContact CD1-CG2 3.52Å; L724-T783 HydrophobicContact CD2-CG2 4.02Å; L724-T783 HydrophobicContact CG-CG2 4.42Å; L755-T783 HydrophobicContact CB-CG2 4.08Å; L755-T783 HydrophobicContact CD2-CG2 4.3Å; L756-T783 CarbonylContact O-C 3.59Å; L756-T783 VanDerWaalsContact O-CA 3.29Å; L756-T783 WeakPolarHBondContact O-CA 3.39Å; T757-T783 PolarHBondContact OG1-OG1 3.19Å; T783-H1378 WeakPolarHBondContact CB-NE2 3.31Å; T783-H1378 WeakPolarHBondContact CG2-NE2 3.29Å; T783-H1378 PolarHBondContact OG1-NE2 3.16Å |
| 784 | V | 79.2 | Confident | 70.4 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 9% | 0.085 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 153.4 | 174.4 | -62.1 | 0 | 0 | 0 | 0 | 110.4 | L756 L764 K782 | L756-V784 HydrophobicContact CB-CG2 4.26Å; L756-V784 PolarHBondContact N-O 3.29Å; L756-V784 VanDerWaalsContact N-O 3.09Å; L756-V784 PolarHBondContact O-N 2.71Å; L764-V784 HydrophobicContact CD1-CG1 4.18Å; L764-V784 HydrophobicContact CD1-CG2 3.92Å; L764-V784 HydrophobicContact CD2-CG2 3.87Å; K782-V784 HydrophobicContact CG-CG1 4.14Å |
| 785 | V | 82.6 | Confident | 71.2 | Confident | 10 Ų | 10 | 45 Ų | 45 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 124.1 | 166.4 | -174.4 | 0 | 0 | 0 | 0 | 108 | L724 D727 L728 F753 L755 L802 | L724-V785 HydrophobicContact CB-CG2 4.26Å; L724-V785 HydrophobicContact CD2-CG2 3.62Å; D727-V785 HydrophobicContact CB-CB 4.29Å; D727-V785 HydrophobicContact CB-CG2 3.63Å; L728-V785 HydrophobicContact CD2-CG1 3.73Å; L728-V785 HydrophobicContact CD2-CG2 4.42Å; L728-V785 HydrophobicContact CG-CG1 4.22Å; L728-V785 HydrophobicContact CG-CG2 4.05Å; F753-V785 HydrophobicContact CD1-CG1 3.69Å; F753-V785 HydrophobicContact CE1-CG1 4.19Å; L755-V785 HydrophobicContact CD2-CG2 3.95Å; V785-L802 HydrophobicContact CB-CD1 4.02Å; V785-L802 HydrophobicContact CB-CG 4.5Å; V785-L802 HydrophobicContact CG1-CD1 4.25Å; V785-L802 HydrophobicContact CG1-CD2 4.02Å; V785-L802 HydrophobicContact CG1-CG 4.44Å |
| 786 | A | 87 | Confident | 72.1 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 173.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | I754 L756 L768 W800 | I754-A786 HydrophobicContact CG2-CB 4.01Å; I754-A786 PolarHBondContact N-O 3.05Å; I754-A786 PolarHBondContact O-N 2.66Å; I754-A786 VanDerWaalsContact O-O 3.1Å; L756-A786 HydrophobicContact CD1-CB 3.68Å; L756-A786 HydrophobicContact CG-CB 4.28Å; L768-A786 HydrophobicContact CD1-CB 4.32Å; L768-A786 HydrophobicContact CD2-CB 4.03Å; A786-W800 WeakPolarHBondContact CA-O 3.38Å |
| 787 | V | 87.8 | Confident | 73.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 114 | 178.9 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | L735 F751 Q752 V789 Y799 W800 L802 L805 | L735-V787 HydrophobicContact CD1-CG1 3.89Å; L735-V787 HydrophobicContact CD1-CG2 4.23Å; F751-V787 HydrophobicContact CB-CG1 4.01Å; F751-V787 HydrophobicContact CD1-CG1 4.22Å; Q752-V787 CarbonylContact O-C 3.51Å; Q752-V787 WeakPolarHBondContact O-CA 3.12Å; V787-V789 HydrophobicContact CG1-CG2 4.19Å; V787-Y799 WeakPolarHBondContact O-CA 3.37Å; V787-W800 HydrophobicContact CB-CB 4.35Å; V787-W800 PolarHBondContact N-O 3.02Å; V787-W800 PolarHBondContact O-N 3.41Å; V787-L802 HydrophobicContact CG2-CD2 4.19Å; V787-L805 HydrophobicContact CG2-CB 4.14Å; V787-L805 HydrophobicContact CG2-CD2 3.84Å |
| 788 | E | 88.7 | Confident | 75 | Confident | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 118.7 | 167.2 | -173.7 | 176.1 | -170.8 | 0 | 0 | 108.2 | F751 Q752 I754 Q790 I797 Y799 K876 | F751-E788 WeakPolarHBondContact CA-O 3.3Å; Q752-E788 PolarHBondContact N-O 3.1Å; Q752-E788 PolarHBondContact O-N 3.41Å; I754-E788 HydrophobicContact CB-CB 4.17Å; I754-E788 HydrophobicContact CG2-CB 3.99Å; E788-Q790 VanDerWaalsContact CD-NE2 3.29Å; E788-Q790 HydrophobicContact CG-CG 3.98Å; E788-Q790 PolarHBondContact OE1-NE2 3.23Å; E788-I797 HydrophobicContact CG-CG2 3.64Å; E788-Y799 HydrophobicContact CB-CD1 4.17Å; E788-Y799 HydrophobicContact CB-CE1 3.85Å; E788-Y799 HydrophobicContact CG-CD1 4.38Å; E788-Y799 HydrophobicContact CG-CE1 3.71Å; E788-K876 IonicContact OE1-NZ 3.01Å |
| 789 | V | 88.7 | Confident | 76.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 104.9 | 179.3 | -173.2 | 0 | 0 | 0 | 0 | 107.9 | V749 F751 V787 I797 H798 W800 F840 | V749-V789 HydrophobicContact CG1-CG1 3.45Å; V749-V789 VanDerWaalsContact CG1-CG1 3.45Å; F751-V789 HydrophobicContact CD1-CB 4.39Å; F751-V789 HydrophobicContact CD1-CG1 4Å; F751-V789 HydrophobicContact CD1-CG2 3.83Å; F751-V789 HydrophobicContact CE1-CB 4.46Å; F751-V789 HydrophobicContact CE1-CG1 3.67Å; F751-V789 HydrophobicContact CE1-CG2 4.06Å; F751-V789 HydrophobicContact CZ-CG1 4.48Å; V787-V789 HydrophobicContact CG1-CG2 4.19Å; V789-I797 WeakPolarHBondContact O-CA 3.3Å; V789-H798 HydrophobicContact CB-CB 4.23Å; V789-H798 PolarHBondContact N-O 3.25Å; V789-H798 PolarHBondContact O-N 3.04Å; V789-W800 HydrophobicContact CG1-CH2 4.47Å; V789-W800 HydrophobicContact CG1-CZ2 4.42Å; V789-W800 HydrophobicContact CG2-CD2 3.61Å; V789-W800 HydrophobicContact CG2-CE3 3.83Å; V789-W800 HydrophobicContact CG2-CG 3.94Å; V789-W800 HydrophobicContact CG2-CH2 4.45Å; V789-W800 HydrophobicContact CG2-CZ2 4.31Å; V789-W800 HydrophobicContact CG2-CZ3 4.24Å; V789-F840 WeakPolarHBondContact CG1-O 3.48Å |
| 790 | Q | 85.9 | Confident | 78.5 | Confident | 45 Ų | 45 | 37.9 Ų | 37.9 | 21% | 0.21 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 109.9 | -178.2 | -62.2 | -173.9 | -13.5 | 0 | 0 | 109.9 | V749 Q750 E788 F792 I797 | V749-Q790 CarbonylContact C-O 3.59Å; V749-Q790 VanDerWaalsContact CA-O 3.31Å; V749-Q790 WeakPolarHBondContact CA-O 3.47Å; Q750-Q790 PolarHBondContact N-O 2.89Å; Q750-Q790 PolarHBondContact O-N 2.91Å; E788-Q790 VanDerWaalsContact CD-NE2 3.29Å; E788-Q790 HydrophobicContact CG-CG 3.98Å; E788-Q790 PolarHBondContact OE1-NE2 3.23Å; Q790-F792 HydrophobicContact CB-CE1 4.34Å; Q790-F792 HydrophobicContact CB-CZ 4.12Å; Q790-I797 HydrophobicContact CG-CG1 4.36Å; Q790-I797 HydrophobicContact CG-CG2 4.49Å |
| 791 | D | 83.1 | Confident | 80 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 105 | 173.3 | 170.2 | 0.8 | 0 | 0 | 0 | 109.2 | V749 K793 N794 G795 A796 | V749-D791 HydrophobicContact CG2-CB 4.4Å; D791-K793 VanDerWaalsContact C-N 3.31Å; D791-K793 WeakPolarHBondContact OD1-CA 3.27Å; D791-K793 VanDerWaalsContact OD1-CB 3.29Å; D791-K793 WeakPolarHBondContact OD1-CB 3.13Å; D791-K793 PolarHBondContact OD1-N 3.28Å; D791-N794 PolarHBondContact OD1-N 3.44Å; D791-N794 WeakPolarHBondContact OD2-CB 3.21Å; D791-N794 PolarHBondContact OD2-ND2 3.2Å; D791-G795 VanDerWaalsContact O-CA 3.27Å; D791-G795 WeakPolarHBondContact O-CA 3.41Å; D791-G795 PolarHBondContact O-N 3.23Å; D791-A796 HydrophobicContact CB-CB 4.27Å; D791-A796 PolarHBondContact N-O 2.84Å; D791-A796 PolarHBondContact O-N 3.01Å; D791-A796 VanDerWaalsContact O-N 3.12Å |
| 792 | F | 81.2 | Confident | 81 | Confident | 115 Ų | 115 | 35 Ų | 35 | 50% | 0.504 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -13.1 | 179.7 | -60.9 | -65 | 0 | 0 | 0 | 113.7 | Q748 Q750 Q790 | Q748-F792 WeakPolarHBondContact O-CB 3.31Å; Q748-F792 WeakPolarHBondContact O-CD2 3.48Å; Q748-F792 PolarHBondContact O-N 3.48Å; Q750-F792 HydrophobicContact CB-CE2 3.69Å; Q750-F792 HydrophobicContact CB-CZ 4.22Å; Q790-F792 HydrophobicContact CB-CE1 4.34Å; Q790-F792 HydrophobicContact CB-CZ 4.12Å |
| 793 | K | 74.2 | Confident | 81.8 | Confident | 139 Ų | 139 | 37.3 Ų | 37.3 | 60% | 0.604 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -43.6 | 178.9 | -179.8 | -172.5 | 174.2 | -172.1 | 0 | 111 | D791 | D791-K793 VanDerWaalsContact C-N 3.31Å; D791-K793 WeakPolarHBondContact OD1-CA 3.27Å; D791-K793 VanDerWaalsContact OD1-CB 3.29Å; D791-K793 WeakPolarHBondContact OD1-CB 3.13Å; D791-K793 PolarHBondContact OD1-N 3.28Å |
| 794 | N | 71.3 | Confident | 82.4 | Confident | 74 Ų | 74 | 39.2 Ų | 39.2 | 40% | 0.396 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -6.5 | 178.1 | -55.6 | -55.5 | 0 | 0 | 0 | 113.6 | D791 A796 | D791-N794 PolarHBondContact OD1-N 3.44Å; D791-N794 WeakPolarHBondContact OD2-CB 3.21Å; D791-N794 PolarHBondContact OD2-ND2 3.2Å; N794-A796 VanDerWaalsContact C-N 3.32Å |
| 795 | G | 67.2 | Low | 82.9 | Confident | 42 Ų | 42 | 38.6 Ų | 38.6 | 43% | 0.433 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 33.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D791 R848 | D791-G795 VanDerWaalsContact O-CA 3.27Å; D791-G795 WeakPolarHBondContact O-CA 3.41Å; D791-G795 PolarHBondContact O-N 3.23Å; G795-R848 PolarHBondContact O-NH2 3.46Å |
| 796 | A | 69.7 | Low | 83.2 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 154.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D791 N794 F844 | D791-A796 HydrophobicContact CB-CB 4.27Å; D791-A796 PolarHBondContact N-O 2.84Å; D791-A796 PolarHBondContact O-N 3.01Å; D791-A796 VanDerWaalsContact O-N 3.12Å; N794-A796 VanDerWaalsContact C-N 3.32Å; A796-F844 HydrophobicContact CB-CD2 3.74Å; A796-F844 HydrophobicContact CB-CE2 4.05Å |
| 797 | I | 76.5 | Confident | 83.2 | Confident | 77 Ų | 77 | 47.9 Ų | 47.9 | 40% | 0.395 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 128.1 | 173.8 | -54.9 | -179.6 | 0 | 0 | 0 | 107.1 | E788 V789 Q790 Y799 | E788-I797 HydrophobicContact CG-CG2 3.64Å; V789-I797 WeakPolarHBondContact O-CA 3.3Å; Q790-I797 HydrophobicContact CG-CG1 4.36Å; Q790-I797 HydrophobicContact CG-CG2 4.49Å; I797-Y799 HydrophobicContact CG2-CE1 4.28Å |
| 798 | H | 82.9 | Confident | 83.3 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 156.1 | 176 | -49.3 | -96 | 0 | 0 | 0 | 109.9 | V789 D842 | V789-H798 HydrophobicContact CB-CB 4.23Å; V789-H798 PolarHBondContact N-O 3.25Å; V789-H798 PolarHBondContact O-N 3.04Å; H798-D842 PolarHBondContact CE1-O 3.32Å |
| 799 | Y | 86.5 | Confident | 83.3 | Confident | 69 Ų | 69 | 49.2 Ų | 49.2 | 27% | 0.271 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 119.4 | 175.3 | -64.3 | -60.7 | 0 | 0 | 0 | 109.7 | I754 L756 V787 E788 I797 | I754-Y799 HydrophobicContact CD1-CE1 3.74Å; I754-Y799 HydrophobicContact CG2-CD1 3.9Å; I754-Y799 HydrophobicContact CG2-CE1 4.02Å; L756-Y799 HydrophobicContact CD1-CD1 4.22Å; L756-Y799 HydrophobicContact CD1-CG 4.14Å; V787-Y799 WeakPolarHBondContact O-CA 3.37Å; E788-Y799 HydrophobicContact CB-CD1 4.17Å; E788-Y799 HydrophobicContact CB-CE1 3.85Å; E788-Y799 HydrophobicContact CG-CD1 4.38Å; E788-Y799 HydrophobicContact CG-CE1 3.71Å; I797-Y799 HydrophobicContact CG2-CE1 4.28Å |
| 800 | W | 88.9 | Confident | 83.3 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 147.7 | -179.3 | -68.2 | -4.2 | 0 | 0 | 0 | 111.6 | F751 L768 A786 V787 V789 K804 L805 R808 M812 P839 F840 D842 | F751-W800 HydrophobicContact CD1-CZ3 4.34Å; F751-W800 HydrophobicContact CE1-CE3 4.38Å; F751-W800 AromaticContact CE1-CH2 3.99Å; F751-W800 HydrophobicContact CE1-CH2 3.99Å; F751-W800 AromaticContact CE1-CZ3 3.63Å; F751-W800 HydrophobicContact CE1-CZ3 3.63Å; L768-W800 VanDerWaalsContact CD2-C 3.46Å; A786-W800 WeakPolarHBondContact CA-O 3.38Å; V787-W800 HydrophobicContact CB-CB 4.35Å; V787-W800 PolarHBondContact N-O 3.02Å; V787-W800 PolarHBondContact O-N 3.41Å; V789-W800 HydrophobicContact CG1-CH2 4.47Å; V789-W800 HydrophobicContact CG1-CZ2 4.42Å; V789-W800 HydrophobicContact CG2-CD2 3.61Å; V789-W800 HydrophobicContact CG2-CE3 3.83Å; V789-W800 HydrophobicContact CG2-CG 3.94Å; V789-W800 HydrophobicContact CG2-CH2 4.45Å; V789-W800 HydrophobicContact CG2-CZ2 4.31Å; V789-W800 HydrophobicContact CG2-CZ3 4.24Å; W800-K804 HydrophobicContact CB-CB 4.16Å; W800-K804 HydrophobicContact CB-CD 4.19Å; W800-K804 HydrophobicContact CB-CG 4.19Å; W800-K804 HydrophobicContact CD2-CD 4.22Å; W800-K804 HydrophobicContact CD2-CG 4.12Å; W800-K804 HydrophobicContact CG-CB 4.47Å; W800-K804 HydrophobicContact CG-CD 3.76Å; W800-K804 HydrophobicContact CG-CG 3.96Å; W800-L805 HydrophobicContact CE3-CD1 4.46Å; W800-R808 HydrophobicContact CE3-CB 4.49Å; W800-R808 HydrophobicContact CE3-CG 4.45Å; W800-R808 HydrophobicContact CH2-CB 4.13Å; W800-R808 HydrophobicContact CH2-CG 3.96Å; W800-R808 HydrophobicContact CZ2-CG 4.45Å; W800-R808 HydrophobicContact CZ3-CB 3.79Å; W800-R808 HydrophobicContact CZ3-CG 3.94Å; W800-M812 HydrophobicContact CH2-CE 4.34Å; W800-M812 HydrophobicContact CZ3-CE 4.05Å; W800-P839 VanDerWaalsContact CH2-O 3.24Å; W800-P839 WeakPolarHBondContact CH2-O 3.48Å; W800-F840 WeakPolarHBondContact CH2-O 3.45Å; W800-D842 PolarHBondContact NE1-OD2 2.87Å |
| 801 | S | 88.2 | Confident | 83.5 | Confident | 27 Ų | 27 | 54 Ų | 54 | 19% | 0.189 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 158.6 | 165.8 | 60.8 | 0 | 0 | 0 | 0 | 110.2 | D767 L768 E803 K804 L805 | D767-S801 WeakPolarHBondContact O-CB 3.24Å; L768-S801 VanDerWaalsContact CD2-N 3.27Å; S801-E803 PolarHBondContact O-N 3.43Å; S801-K804 PolarHBondContact O-N 3.31Å; S801-K804 VanDerWaalsContact O-N 3.17Å; S801-K804 WeakPolarHBondContact OG-CB 3.22Å; S801-K804 PolarHBondContact OG-N 3.03Å; S801-L805 PolarHBondContact O-N 3.1Å |
| 802 | L | 86.3 | Confident | 83.9 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.6 | -32 | 172.9 | -64.7 | 173.5 | 0 | 0 | 0 | 112 | D727 N731 F753 V785 V787 R806 | D727-L802 HydrophobicContact CB-CD1 4.28Å; N731-L802 HydrophobicContact CB-CD1 4.45Å; N731-L802 HydrophobicContact CB-CD2 3.8Å; F753-L802 HydrophobicContact CD1-CD2 4.41Å; F753-L802 HydrophobicContact CE1-CD2 3.83Å; V785-L802 HydrophobicContact CB-CD1 4.02Å; V785-L802 HydrophobicContact CB-CG 4.5Å; V785-L802 HydrophobicContact CG1-CD1 4.25Å; V785-L802 HydrophobicContact CG1-CD2 4.02Å; V785-L802 HydrophobicContact CG1-CG 4.44Å; V787-L802 HydrophobicContact CG2-CD2 4.19Å; L802-R806 WeakPolarHBondContact O-CD 3.27Å; L802-R806 WeakPolarHBondContact O-CG 3.2Å; L802-R806 PolarHBondContact O-N 3.35Å; L802-R806 VanDerWaalsContact O-N 3.16Å |
| 803 | E | 86.5 | Confident | 84.2 | Confident | 104 Ų | 104 | 51.6 Ų | 51.6 | 49% | 0.486 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -70.3 | -46.7 | 174.9 | -175.9 | 53.2 | -150.6 | 0 | 0 | 111.8 | S801 L805 R806 Q807 | S801-E803 PolarHBondContact O-N 3.43Å; E803-L805 VanDerWaalsContact C-N 3.27Å; E803-L805 PolarHBondContact O-N 3.44Å; E803-R806 WeakPolarHBondContact O-CB 3.24Å; E803-R806 PolarHBondContact O-N 3.11Å; E803-Q807 WeakPolarHBondContact O-CG 3.39Å; E803-Q807 PolarHBondContact O-N 2.78Å; E803-Q807 PolarHBondContact OE1-NE2 3.29Å |
| 804 | K | 88.8 | Confident | 84.7 | Confident | 45 Ų | 45 | 49 Ų | 49 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61 | -34.6 | 174.6 | -176.4 | 171.2 | -178.8 | -179.6 | 0 | 112.2 | W800 S801 R808 D842 | W800-K804 HydrophobicContact CB-CB 4.16Å; W800-K804 HydrophobicContact CB-CD 4.19Å; W800-K804 HydrophobicContact CB-CG 4.19Å; W800-K804 HydrophobicContact CD2-CD 4.22Å; W800-K804 HydrophobicContact CD2-CG 4.12Å; W800-K804 HydrophobicContact CG-CB 4.47Å; W800-K804 HydrophobicContact CG-CD 3.76Å; W800-K804 HydrophobicContact CG-CG 3.96Å; S801-K804 PolarHBondContact O-N 3.31Å; S801-K804 VanDerWaalsContact O-N 3.17Å; S801-K804 WeakPolarHBondContact OG-CB 3.22Å; S801-K804 PolarHBondContact OG-N 3.03Å; K804-R808 HydrophobicContact CG-CG 4.4Å; K804-R808 WeakPolarHBondContact O-CB 3.43Å; K804-R808 WeakPolarHBondContact O-CG 3.45Å; K804-R808 PolarHBondContact O-N 3.27Å; K804-D842 WeakPolarHBondContact CE-OD1 2.84Å; K804-D842 IonicContact NZ-OD1 2.66Å; K804-D842 PolarHBondContact NZ-OD1 2.91Å; K804-D842 IonicContact NZ-OD2 3.92Å; K804-D842 PolarHBondContact NZ-OD2 3.25Å |
| 805 | L | 89.9 | Confident | 85.4 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62 | -47 | 170.7 | 176.6 | 65 | 0 | 0 | 0 | 111.5 | F734 L735 A738 F751 V787 W800 S801 E803 R808 L809 | F734-L805 HydrophobicContact CB-CD2 4.37Å; L735-L805 HydrophobicContact CB-CD2 4.08Å; A738-L805 HydrophobicContact CB-CD1 3.94Å; F751-L805 HydrophobicContact CD1-CD1 4.28Å; V787-L805 HydrophobicContact CG2-CB 4.14Å; V787-L805 HydrophobicContact CG2-CD2 3.84Å; W800-L805 HydrophobicContact CE3-CD1 4.46Å; S801-L805 PolarHBondContact O-N 3.1Å; E803-L805 VanDerWaalsContact C-N 3.27Å; E803-L805 PolarHBondContact O-N 3.44Å; L805-R808 PolarHBondContact O-N 3.01Å; L805-L809 WeakPolarHBondContact O-CB 3.43Å; L805-L809 PolarHBondContact O-N 3.49Å |
| 806 | R | 87.3 | Confident | 86.1 | Confident | 91 Ų | 91 | 49.3 Ų | 49.3 | 34% | 0.343 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.7 | -46.6 | 179.5 | -71.8 | 161.1 | 177 | -95.6 | 2.5 | 111.7 | G730 N731 F734 L802 E803 L809 E810 | G730-R806 PolarHBondContact O-NH2 3.4Å; N731-R806 VanDerWaalsContact OD1-CZ 3.3Å; N731-R806 PolarHBondContact OD1-NE 3.38Å; N731-R806 PolarHBondContact OD1-NH2 2.96Å; F734-R806 VanDerWaalsContact CE2-CZ 3.44Å; F734-R806 HydrophobicContact CG-CG 4.49Å; L802-R806 WeakPolarHBondContact O-CD 3.27Å; L802-R806 WeakPolarHBondContact O-CG 3.2Å; L802-R806 PolarHBondContact O-N 3.35Å; L802-R806 VanDerWaalsContact O-N 3.16Å; E803-R806 WeakPolarHBondContact O-CB 3.24Å; E803-R806 PolarHBondContact O-N 3.11Å; R806-L809 PolarHBondContact O-N 2.98Å; R806-E810 PolarHBondContact O-N 2.92Å |
| 807 | Q | 87.2 | Confident | 86.6 | Confident | 115 Ų | 115 | 53.4 Ų | 53.4 | 54% | 0.537 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 178.5 | -66.1 | 173.7 | 5.9 | 0 | 0 | 112.2 | E803 | E803-Q807 WeakPolarHBondContact O-CG 3.39Å; E803-Q807 PolarHBondContact O-N 2.78Å; E803-Q807 PolarHBondContact OE1-NE2 3.29Å |
| 808 | R | 89.9 | Confident | 86.6 | Confident | 35 Ų | 35 | 52 Ų | 52 | 13% | 0.132 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.1 | -31 | 175.9 | -71.4 | -62.9 | -169.4 | 81.3 | 4.2 | 112.8 | W800 K804 L805 E810 L811 M812 P839 Y841 D842 | W800-R808 HydrophobicContact CE3-CB 4.49Å; W800-R808 HydrophobicContact CE3-CG 4.45Å; W800-R808 HydrophobicContact CH2-CB 4.13Å; W800-R808 HydrophobicContact CH2-CG 3.96Å; W800-R808 HydrophobicContact CZ2-CG 4.45Å; W800-R808 HydrophobicContact CZ3-CB 3.79Å; W800-R808 HydrophobicContact CZ3-CG 3.94Å; K804-R808 HydrophobicContact CG-CG 4.4Å; K804-R808 WeakPolarHBondContact O-CB 3.43Å; K804-R808 WeakPolarHBondContact O-CG 3.45Å; K804-R808 PolarHBondContact O-N 3.27Å; L805-R808 PolarHBondContact O-N 3.01Å; R808-E810 VanDerWaalsContact C-N 3.33Å; R808-E810 PolarHBondContact O-N 2.69Å; R808-L811 PolarHBondContact O-N 2.71Å; R808-M812 HydrophobicContact CB-CE 3.98Å; R808-M812 WeakPolarHBondContact O-CG 3.3Å; R808-M812 PolarHBondContact O-N 3.24Å; R808-P839 WeakPolarHBondContact CD-O 3.49Å; R808-P839 PolarHBondContact NH1-O 2.71Å; R808-Y841 PolarHBondContact NH1-O 2.82Å; R808-D842 IonicContact CZ-OD1 3.13Å; R808-D842 IonicContact NH1-OD1 2.68Å; R808-D842 IonicContact NH2-OD1 3.28Å; R808-D842 PolarHBondContact NH2-OD1 2.9Å |
| 809 | L | 90.1 | Very high | 85.8 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65 | -34.5 | 178.3 | 177 | 60.8 | 0 | 0 | 0 | 112.3 | F734 E737 A738 I741 L805 R806 M812 R813 | F734-L809 HydrophobicContact CB-CD2 3.61Å; F734-L809 HydrophobicContact CD1-CD2 3.79Å; F734-L809 HydrophobicContact CG-CD2 4.17Å; E737-L809 HydrophobicContact CB-CD1 4.22Å; E737-L809 HydrophobicContact CB-CD2 4.26Å; E737-L809 HydrophobicContact CG-CD1 4.07Å; E737-L809 HydrophobicContact CG-CD2 4.49Å; A738-L809 HydrophobicContact CB-CD1 4.14Å; I741-L809 HydrophobicContact CD1-CD1 3.89Å; L805-L809 WeakPolarHBondContact O-CB 3.43Å; L805-L809 PolarHBondContact O-N 3.49Å; R806-L809 PolarHBondContact O-N 2.98Å; L809-M812 HydrophobicContact CD1-CB 4.38Å; L809-M812 HydrophobicContact CD1-SD 4.4Å; L809-M812 WeakPolarHBondContact O-CA 3.43Å; L809-M812 WeakPolarHBondContact O-CB 3.4Å; L809-M812 PolarHBondContact O-N 2.91Å; L809-M812 VanDerWaalsContact O-N 3.1Å; L809-R813 WeakPolarHBondContact O-CG 3.41Å; L809-R813 PolarHBondContact O-N 3.45Å |
| 810 | E | 88.1 | Confident | 84.4 | Confident | 94 Ų | 94 | 59.8 Ų | 59.8 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 174.6 | -149 | 61.9 | -143.6 | 0 | 0 | 111.1 | R806 R808 M812 R813 E814 | R806-E810 PolarHBondContact O-N 2.92Å; R808-E810 VanDerWaalsContact C-N 3.33Å; R808-E810 PolarHBondContact O-N 2.69Å; E810-M812 PolarHBondContact O-N 3.43Å; E810-R813 WeakPolarHBondContact O-CA 3.17Å; E810-R813 WeakPolarHBondContact O-CB 3.42Å; E810-R813 PolarHBondContact O-N 2.84Å; E810-R813 WeakPolarHBondContact OE1-CD 3.46Å; E810-R813 IonicContact OE1-NH1 2.7Å; E810-R813 IonicContact OE2-CZ 3.76Å; E810-R813 IonicContact OE2-NH1 2.77Å; E810-R813 PolarHBondContact OE2-NH1 3.08Å; E810-E814 WeakPolarHBondContact O-CG 3.41Å; E810-E814 PolarHBondContact O-N 2.77Å |
| 811 | L | 89.1 | Confident | 82.8 | Confident | 52 Ų | 52 | 67 Ų | 67 | 27% | 0.272 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.4 | -29.7 | 172.6 | -56.1 | 176.7 | 0 | 0 | 0 | 112.6 | R808 E814 L815 P839 | R808-L811 PolarHBondContact O-N 2.71Å; L811-E814 WeakPolarHBondContact CD2-OE2 3.38Å; L811-L815 WeakPolarHBondContact O-CG 3.33Å; L811-L815 PolarHBondContact O-N 3.44Å; L811-L815 VanDerWaalsContact O-N 3.1Å; L811-P839 HydrophobicContact CB-CB 3.72Å; L811-P839 HydrophobicContact CB-CG 4.16Å; L811-P839 HydrophobicContact CD1-CB 4.23Å |
| 812 | M | 91.4 | Very high | 80.8 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.3 | -36.8 | 171.8 | -63.7 | 176.1 | -152.3 | 0 | 0 | 112 | A738 I741 F751 W800 R808 L809 E810 Y816 F840 | A738-M812 HydrophobicContact CB-SD 3.98Å; I741-M812 HydrophobicContact CD1-CB 4.02Å; I741-M812 HydrophobicContact CG2-CB 4.24Å; F751-M812 HydrophobicContact CE1-CE 3.98Å; F751-M812 HydrophobicContact CE2-CE 4.34Å; F751-M812 HydrophobicContact CE2-SD 4.35Å; F751-M812 HydrophobicContact CZ-CE 3.57Å; F751-M812 HydrophobicContact CZ-SD 4.12Å; W800-M812 HydrophobicContact CH2-CE 4.34Å; W800-M812 HydrophobicContact CZ3-CE 4.05Å; R808-M812 HydrophobicContact CB-CE 3.98Å; R808-M812 WeakPolarHBondContact O-CG 3.3Å; R808-M812 PolarHBondContact O-N 3.24Å; L809-M812 HydrophobicContact CD1-CB 4.38Å; L809-M812 HydrophobicContact CD1-SD 4.4Å; L809-M812 WeakPolarHBondContact O-CA 3.43Å; L809-M812 WeakPolarHBondContact O-CB 3.4Å; L809-M812 PolarHBondContact O-N 2.91Å; L809-M812 VanDerWaalsContact O-N 3.1Å; E810-M812 PolarHBondContact O-N 3.43Å; M812-Y816 WeakPolarHBondContact O-CB 3.24Å; M812-Y816 PolarHBondContact O-N 2.9Å; M812-F840 HydrophobicContact CB-CE2 4.4Å; M812-F840 HydrophobicContact CB-CZ 3.98Å; M812-F840 HydrophobicContact CE-CD1 4.4Å; M812-F840 HydrophobicContact CG-CD1 4.4Å; M812-F840 HydrophobicContact CG-CD2 4.3Å; M812-F840 HydrophobicContact CG-CE1 3.89Å; M812-F840 HydrophobicContact CG-CE2 3.81Å; M812-F840 HydrophobicContact CG-CZ 3.57Å; M812-F840 HydrophobicContact SD-CD1 4.03Å; M812-F840 HydrophobicContact SD-CE1 3.69Å; M812-F840 HydrophobicContact SD-CZ 4.02Å |
| 813 | R | 89 | Confident | 78.5 | Confident | 67 Ų | 67 | 74.7 Ų | 74.7 | 25% | 0.253 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 173.8 | -67.9 | 168.4 | 176 | 164.7 | -0.5 | 111.2 | E737 I741 L809 E810 L815 Y816 I817 | E737-R813 VanDerWaalsContact CD-NH2 3.27Å; E737-R813 IonicContact OE1-CZ 2.61Å; E737-R813 VanDerWaalsContact OE1-CZ 3.28Å; E737-R813 IonicContact OE1-NE 2.66Å; E737-R813 PolarHBondContact OE1-NE 2.93Å; E737-R813 IonicContact OE1-NH2 3.34Å; E737-R813 PolarHBondContact OE1-NH2 2.95Å; E737-R813 IonicContact OE2-CZ 3.15Å; E737-R813 IonicContact OE2-NE 3.65Å; E737-R813 IonicContact OE2-NH2 3.96Å; E737-R813 PolarHBondContact OE2-NH2 3.25Å; I741-R813 HydrophobicContact CD1-CG 4.25Å; L809-R813 WeakPolarHBondContact O-CG 3.41Å; L809-R813 PolarHBondContact O-N 3.45Å; E810-R813 WeakPolarHBondContact O-CA 3.17Å; E810-R813 WeakPolarHBondContact O-CB 3.42Å; E810-R813 PolarHBondContact O-N 2.84Å; E810-R813 WeakPolarHBondContact OE1-CD 3.46Å; E810-R813 IonicContact OE1-NH1 2.7Å; E810-R813 IonicContact OE2-CZ 3.76Å; E810-R813 IonicContact OE2-NH1 2.77Å; E810-R813 PolarHBondContact OE2-NH1 3.08Å; R813-L815 PolarHBondContact O-N 2.93Å; R813-Y816 WeakPolarHBondContact O-CB 3.47Å; R813-Y816 PolarHBondContact O-N 2.73Å; R813-Y816 VanDerWaalsContact O-N 3.08Å; R813-I817 WeakPolarHBondContact O-CG1 3.44Å; R813-I817 PolarHBondContact O-N 3.16Å |
| 814 | E | 84.4 | Confident | 76.1 | Confident | 86 Ų | 86 | 75.1 Ų | 75.1 | 40% | 0.402 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.2 | -45 | 175.7 | -69.2 | 176.3 | 164.4 | 0 | 0 | 111.6 | E810 L811 Y816 S818 | E810-E814 WeakPolarHBondContact O-CG 3.41Å; E810-E814 PolarHBondContact O-N 2.77Å; L811-E814 WeakPolarHBondContact CD2-OE2 3.38Å; E814-Y816 VanDerWaalsContact C-N 3.3Å; E814-Y816 PolarHBondContact O-N 3.29Å; E814-S818 VanDerWaalsContact O-CB 3.31Å; E814-S818 WeakPolarHBondContact O-CB 3.43Å; E814-S818 PolarHBondContact O-N 3.07Å; E814-S818 PolarHBondContact O-OG 3.39Å |
| 815 | L | 85 | Confident | 73.4 | Confident | 58 Ų | 58 | 77.2 Ų | 77.2 | 30% | 0.304 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65 | -29.6 | 173.1 | -75.6 | -174.8 | 0 | 0 | 0 | 113.9 | L745 L811 R813 S818 Q819 P839 F840 | L745-L815 HydrophobicContact CD1-CB 4.21Å; L811-L815 WeakPolarHBondContact O-CG 3.33Å; L811-L815 PolarHBondContact O-N 3.44Å; L811-L815 VanDerWaalsContact O-N 3.1Å; R813-L815 PolarHBondContact O-N 2.93Å; L815-S818 WeakPolarHBondContact CA-OG 3.39Å; L815-S818 PolarHBondContact O-OG 3.36Å; L815-Q819 WeakPolarHBondContact O-CG 3.48Å; L815-Q819 PolarHBondContact O-N 2.85Å; L815-P839 HydrophobicContact CD1-CG 3.41Å; L815-P839 VanDerWaalsContact CD1-CG 3.41Å; L815-P839 HydrophobicContact CG-CG 4.38Å; L815-F840 HydrophobicContact CD1-CE2 4.21Å |
| 816 | Y | 83.3 | Confident | 70.5 | Confident | 63 Ų | 63 | 83.1 Ų | 83.1 | 25% | 0.247 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -75.3 | -48.6 | 177.9 | -176.5 | -100.9 | 0 | 0 | 0 | 112 | I741 E744 L745 M812 R813 E814 Q819 F820 | I741-Y816 HydrophobicContact CG2-CD2 4.06Å; I741-Y816 HydrophobicContact CG2-CG 4.31Å; E744-Y816 HydrophobicContact CB-CE2 3.98Å; E744-Y816 WeakPolarHBondContact OE2-CE2 3.49Å; L745-Y816 HydrophobicContact CD2-CD2 4Å; L745-Y816 HydrophobicContact CG-CD2 4.26Å; M812-Y816 WeakPolarHBondContact O-CB 3.24Å; M812-Y816 PolarHBondContact O-N 2.9Å; R813-Y816 WeakPolarHBondContact O-CB 3.47Å; R813-Y816 PolarHBondContact O-N 2.73Å; R813-Y816 VanDerWaalsContact O-N 3.08Å; E814-Y816 VanDerWaalsContact C-N 3.3Å; E814-Y816 PolarHBondContact O-N 3.29Å; Y816-Q819 PolarHBondContact O-N 3.46Å; Y816-F820 HydrophobicContact CE1-CD2 4.11Å; Y816-F820 HydrophobicContact CE1-CE2 4.34Å; Y816-F820 HydrophobicContact CE2-CD2 4.29Å; Y816-F820 HydrophobicContact CE2-CE2 4.2Å; Y816-F820 AromaticContact CZ-CD2 3.87Å; Y816-F820 AromaticContact CZ-CE2 3.73Å; Y816-F820 PolarHBondContact O-N 3.24Å; Y816-F820 WeakPolarHBondContact OH-CE2 3.23Å |
| 817 | I | 80.4 | Confident | 67.9 | Low | 90 Ų | 90 | 84 Ų | 84 | 46% | 0.462 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.5 | -48.3 | 178.2 | -66.2 | 164.3 | 0 | 0 | 0 | 109.9 | R813 Q819 F820 E821 | R813-I817 WeakPolarHBondContact O-CG1 3.44Å; R813-I817 PolarHBondContact O-N 3.16Å; I817-Q819 VanDerWaalsContact C-N 3.31Å; I817-Q819 PolarHBondContact O-N 3.15Å; I817-F820 PolarHBondContact O-N 3.36Å; I817-E821 HydrophobicContact CG2-CG 4.25Å; I817-E821 PolarHBondContact O-N 2.92Å |
| 818 | S | 74.5 | Confident | 65.2 | Low | 49 Ų | 49 | 87.4 Ų | 87.4 | 34% | 0.343 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -34.5 | 179.9 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | E814 L815 C822 | E814-S818 VanDerWaalsContact O-CB 3.31Å; E814-S818 WeakPolarHBondContact O-CB 3.43Å; E814-S818 PolarHBondContact O-N 3.07Å; E814-S818 PolarHBondContact O-OG 3.39Å; L815-S818 WeakPolarHBondContact CA-OG 3.39Å; L815-S818 PolarHBondContact O-OG 3.36Å; S818-C822 WeakPolarHBondContact O-CB 3.1Å; S818-C822 PolarHBondContact O-N 3.26Å; S818-C822 PolarHBondContact O-SG 2.93Å |
| 819 | Q | 66.1 | Low | 62.7 | Low | 115 Ų | 115 | 91.9 Ų | 91.9 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.8 | -28.6 | 172.6 | -76 | -165 | 28.2 | 0 | 0 | 114 | L745 L815 Y816 I817 | L745-Q819 HydrophobicContact CD2-CB 4.41Å; L815-Q819 WeakPolarHBondContact O-CG 3.48Å; L815-Q819 PolarHBondContact O-N 2.85Å; Y816-Q819 PolarHBondContact O-N 3.46Å; I817-Q819 VanDerWaalsContact C-N 3.31Å; I817-Q819 PolarHBondContact O-N 3.15Å |
| 820 | F | 57.9 | Low | 60.1 | Low | 138 Ų | 138 | 99.4 Ų | 99.4 | 61% | 0.605 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -74.5 | -43.5 | 174.6 | -111.8 | -84.2 | 0 | 0 | 0 | 112 | Y816 I817 T823 | Y816-F820 HydrophobicContact CE1-CD2 4.11Å; Y816-F820 HydrophobicContact CE1-CE2 4.34Å; Y816-F820 HydrophobicContact CE2-CD2 4.29Å; Y816-F820 HydrophobicContact CE2-CE2 4.2Å; Y816-F820 AromaticContact CZ-CD2 3.87Å; Y816-F820 AromaticContact CZ-CE2 3.73Å; Y816-F820 PolarHBondContact O-N 3.24Å; Y816-F820 WeakPolarHBondContact OH-CE2 3.23Å; I817-F820 PolarHBondContact O-N 3.36Å; F820-T823 PolarHBondContact O-OG1 3.47Å; F820-T823 VanDerWaalsContact O-OG1 3.11Å |
| 821 | E | 56.1 | Low | 57.7 | Low | 151 Ų | 151 | 102.3 Ų | 102.3 | 71% | 0.706 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -74 | -31.8 | -179.8 | -66 | -175.3 | 162.4 | 0 | 0 | 112.6 | I817 T823 | I817-E821 HydrophobicContact CG2-CG 4.25Å; I817-E821 PolarHBondContact O-N 2.92Å; E821-T823 PolarHBondContact O-N 3.29Å |
| 822 | C | 46.5 | Very low | 55.1 | Low | 99 Ų | 99 | 107.1 Ų | 107.1 | 67% | 0.669 | 60% | 0.597 | S | S | * | * | trans | -77.6 | 43 | 177.3 | -65.9 | 0 | 0 | 0 | 0 | 114.3 | S818 | S818-C822 WeakPolarHBondContact O-CB 3.1Å; S818-C822 PolarHBondContact O-N 3.26Å; S818-C822 PolarHBondContact O-SG 2.93Å | ||
| 823 | T | 37.9 | Very low | 52.7 | Low | 115 Ų | 115 | 112.6 Ų | 112.6 | 71% | 0.706 | 63% | 0.631 | S | S | * | * | trans | -111.1 | 35.5 | 168.6 | 53 | 0 | 0 | 0 | 0 | 112.8 | F820 E821 | F820-T823 PolarHBondContact O-OG1 3.47Å; F820-T823 VanDerWaalsContact O-OG1 3.11Å; E821-T823 PolarHBondContact O-N 3.29Å | ||
| 824 | S | 35.3 | Very low | 50.4 | Low | 113 Ų | 113 | 116.3 Ų | 116.3 | 79% | 0.79 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -144.5 | 81 | 168.8 | -78.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 825 | G | 31.3 | Very low | 48.4 | Very low | 89 Ų | 89 | 116.6 Ų | 116.6 | 92% | 0.918 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 86 | 14.3 | 141.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||
| 826 | C | 29.3 | Very low | 46.6 | Very low | 124 Ų | 124 | 117.7 Ų | 117.7 | 84% | 0.838 | 69% | 0.686 | S | S | * | * | trans | -125 | 122.1 | 174.5 | -142.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 827 | P | 33 | Very low | 45.7 | Very low | 109 Ų | 109 | 118.4 Ų | 118.4 | 71% | 0.708 | 70% | 0.697 | S | S | * | * | trans | -85.9 | 160.8 | 178.9 | 34.9 | -34.7 | 0 | 0 | 0 | 113.3 | ||||
| 828 | E | 31.4 | Very low | 45.5 | Very low | 188 Ų | 188 | 116.3 Ų | 116.3 | 88% | 0.879 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 22.3 | 96.3 | 154.6 | -59.1 | -177.9 | 138.7 | 0 | 0 | 118.3 | ||
| 829 | V | 37.5 | Very low | 46.1 | Very low | 128 Ų | 128 | 114.4 Ų | 114.4 | 78% | 0.776 | 67% | 0.673 | S | S | * | * | trans | -167 | -35.8 | 145.8 | 125.9 | 0 | 0 | 0 | 0 | 115.1 | I831 | V829-I831 VanDerWaalsContact C-N 3.25Å; V829-I831 PolarHBondContact O-N 3.15Å | ||
| 830 | M | 34.2 | Very low | 47.1 | Very low | 159 Ų | 159 | 109 Ų | 109 | 78% | 0.783 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 31.6 | -164.7 | -65.9 | -156.1 | -64.6 | 0 | 0 | 117.2 | ||
| 831 | I | 37.4 | Very low | 48.4 | Very low | 156 Ų | 156 | 104.6 Ų | 104.6 | 80% | 0.8 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -26.9 | -177.4 | -70.1 | 178.2 | 0 | 0 | 0 | 113.3 | V829 | V829-I831 VanDerWaalsContact C-N 3.25Å; V829-I831 PolarHBondContact O-N 3.15Å |
| 832 | D | 35.5 | Very low | 49.5 | Very low | 153 Ų | 153 | 99.2 Ų | 99.2 | 82% | 0.818 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -3.8 | -167.5 | -70.1 | -33.1 | 0 | 0 | 0 | 115.9 | ||
| 833 | T | 40.7 | Very low | 50.7 | Low | 115 Ų | 115 | 105.6 Ų | 105.6 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -8.5 | -167.6 | -19.4 | 0 | 0 | 0 | 0 | 115.7 | ||
| 834 | F | 40.4 | Very low | 51.7 | Low | 145 Ų | 145 | 103.3 Ų | 103.3 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -119.4 | 87.7 | 179 | -92.1 | -101.9 | 0 | 0 | 0 | 111.9 | G836 | F834-G836 PolarHBondContact O-N 2.94Š|
| 835 | S | 42.2 | Very low | 53 | Low | 92 Ų | 92 | 101 Ų | 101 | 64% | 0.643 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 45.2 | 24.5 | 157.7 | 63.2 | 0 | 0 | 0 | 0 | 119.7 | T837 | S835-T837 PolarHBondContact O-N 3.42Å; S835-T837 PolarHBondContact O-OG1 3.13Å |
| 836 | G | 48 | Very low | 54.6 | Low | 81 Ų | 81 | 105.3 Ų | 105.3 | 84% | 0.835 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62 | 11.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118 | F834 | F834-G836 PolarHBondContact O-N 2.94Š|
| 837 | T | 63.5 | Low | 56.8 | Low | 78 Ų | 78 | 103 Ų | 103 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -135 | 133.8 | -177.3 | 52.6 | 0 | 0 | 0 | 0 | 111.8 | S835 P839 | S835-T837 PolarHBondContact O-N 3.42Å; S835-T837 PolarHBondContact O-OG1 3.13Å; T837-P839 WeakPolarHBondContact O-CD 3.37Å |
| 838 | D | 76.6 | Confident | 59 | Low | 46 Ų | 46 | 100.6 Ų | 100.6 | 25% | 0.246 | 52% | 0.518 | C | S | . | . | trans | -66.6 | 116.7 | 176.2 | -167.1 | -31.9 | 0 | 0 | 0 | 108.9 | K747 F840 Y841 | K747-D838 IonicContact NZ-OD1 3.69Å; K747-D838 PolarHBondContact NZ-OD1 2.85Å; K747-D838 IonicContact NZ-OD2 3.27Å; K747-D838 PolarHBondContact NZ-OD2 2.62Å; D838-F840 PolarHBondContact O-N 3.1Å; D838-F840 VanDerWaalsContact OD1-CD2 3.31Å; D838-F840 WeakPolarHBondContact OD1-CD2 3.11Å; D838-F840 PolarHBondContact OD1-N 2.88Å; D838-Y841 HydrophobicContact CB-CD1 4.35Å; D838-Y841 HydrophobicContact CB-CE1 3.74Å; D838-Y841 HydrophobicContact CB-CE2 4.41Å; D838-Y841 VanDerWaalsContact CG-CE1 3.47Å; D838-Y841 PolarHBondContact O-N 2.68Å; D838-Y841 VanDerWaalsContact O-O 3.08Å; D838-Y841 WeakPolarHBondContact OD2-CE1 3.12Å | ||
| 839 | P | 87 | Confident | 61.5 | Low | 9 Ų | 9 | 93.6 Ų | 93.6 | 6% | 0.058 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12.4 | -169.2 | 24.4 | -33.6 | 0 | 0 | 0 | 113.4 | W800 R808 L811 L815 T837 | W800-P839 VanDerWaalsContact CH2-O 3.24Å; W800-P839 WeakPolarHBondContact CH2-O 3.48Å; R808-P839 WeakPolarHBondContact CD-O 3.49Å; R808-P839 PolarHBondContact NH1-O 2.71Å; L811-P839 HydrophobicContact CB-CB 3.72Å; L811-P839 HydrophobicContact CB-CG 4.16Å; L811-P839 HydrophobicContact CD1-CB 4.23Å; L815-P839 HydrophobicContact CD1-CG 3.41Å; L815-P839 VanDerWaalsContact CD1-CG 3.41Å; L815-P839 HydrophobicContact CG-CG 4.38Å; T837-P839 WeakPolarHBondContact O-CD 3.37Å |
| 840 | F | 87.7 | Confident | 63.8 | Low | 0 Ų | 0 | 87.6 Ų | 87.6 | 0% | 0 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -19.8 | -178.9 | -70.8 | -96.6 | 0 | 0 | 0 | 114.9 | I741 L745 K747 V749 F751 V789 W800 M812 L815 D838 | I741-F840 HydrophobicContact CG2-CE1 4.49Å; I741-F840 HydrophobicContact CG2-CZ 3.95Å; L745-F840 HydrophobicContact CD1-CE2 4.34Å; L745-F840 HydrophobicContact CD1-CZ 4.07Å; K747-F840 HydrophobicContact CB-CD1 3.95Å; K747-F840 HydrophobicContact CB-CE1 4.3Å; K747-F840 HydrophobicContact CB-CG 4.11Å; K747-F840 HydrophobicContact CD-CB 4.38Å; K747-F840 HydrophobicContact CD-CD1 4.45Å; K747-F840 HydrophobicContact CD-CD2 3.57Å; K747-F840 HydrophobicContact CD-CE2 3.95Å; K747-F840 HydrophobicContact CD-CG 3.86Å; K747-F840 HydrophobicContact CG-CD1 3.92Å; K747-F840 HydrophobicContact CG-CD2 3.8Å; K747-F840 HydrophobicContact CG-CE1 3.99Å; K747-F840 HydrophobicContact CG-CE2 3.84Å; K747-F840 HydrophobicContact CG-CG 3.85Å; K747-F840 HydrophobicContact CG-CZ 3.95Å; V749-F840 HydrophobicContact CB-CB 4.41Å; V749-F840 HydrophobicContact CG2-CB 4.06Å; F751-F840 HydrophobicContact CE2-CD1 4.1Å; F751-F840 AromaticContact CZ-CD1 3.95Å; F751-F840 HydrophobicContact CZ-CD1 3.95Å; V789-F840 WeakPolarHBondContact CG1-O 3.48Å; W800-F840 WeakPolarHBondContact CH2-O 3.45Å; M812-F840 HydrophobicContact CB-CE2 4.4Å; M812-F840 HydrophobicContact CB-CZ 3.98Å; M812-F840 HydrophobicContact CE-CD1 4.4Å; M812-F840 HydrophobicContact CG-CD1 4.4Å; M812-F840 HydrophobicContact CG-CD2 4.3Å; M812-F840 HydrophobicContact CG-CE1 3.89Å; M812-F840 HydrophobicContact CG-CE2 3.81Å; M812-F840 HydrophobicContact CG-CZ 3.57Å; M812-F840 HydrophobicContact SD-CD1 4.03Å; M812-F840 HydrophobicContact SD-CE1 3.69Å; M812-F840 HydrophobicContact SD-CZ 4.02Å; L815-F840 HydrophobicContact CD1-CE2 4.21Å; D838-F840 PolarHBondContact O-N 3.1Å; D838-F840 VanDerWaalsContact OD1-CD2 3.31Å; D838-F840 WeakPolarHBondContact OD1-CD2 3.11Å; D838-F840 PolarHBondContact OD1-N 2.88Å |
| 841 | Y | 84 | Confident | 66.4 | Low | 46 Ų | 46 | 80 Ų | 80 | 18% | 0.18 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -149.3 | -179.6 | -179.5 | 51.2 | -83 | 0 | 0 | 0 | 111.6 | V749 R808 D838 | V749-Y841 HydrophobicContact CG2-CD1 3.98Å; R808-Y841 PolarHBondContact NH1-O 2.82Å; D838-Y841 HydrophobicContact CB-CD1 4.35Å; D838-Y841 HydrophobicContact CB-CE1 3.74Å; D838-Y841 HydrophobicContact CB-CE2 4.41Å; D838-Y841 VanDerWaalsContact CG-CE1 3.47Å; D838-Y841 PolarHBondContact O-N 2.68Å; D838-Y841 VanDerWaalsContact O-O 3.08Å; D838-Y841 WeakPolarHBondContact OD2-CE1 3.12Å |
| 842 | D | 81.1 | Confident | 68.9 | Low | 38 Ų | 38 | 73.9 Ų | 73.9 | 20% | 0.203 | 38% | 0.379 | C | S | . | . | trans | -109.4 | 163 | 170.8 | -64.2 | -56 | 0 | 0 | 0 | 110.7 | H798 W800 K804 R808 F844 | H798-D842 PolarHBondContact CE1-O 3.32Å; W800-D842 PolarHBondContact NE1-OD2 2.87Å; K804-D842 WeakPolarHBondContact CE-OD1 2.84Å; K804-D842 IonicContact NZ-OD1 2.66Å; K804-D842 PolarHBondContact NZ-OD1 2.91Å; K804-D842 IonicContact NZ-OD2 3.92Å; K804-D842 PolarHBondContact NZ-OD2 3.25Å; R808-D842 IonicContact CZ-OD1 3.13Å; R808-D842 IonicContact NH1-OD1 2.68Å; R808-D842 IonicContact NH2-OD1 3.28Å; R808-D842 PolarHBondContact NH2-OD1 2.9Å; D842-F844 PolarHBondContact O-N 2.86Å | ||
| 843 | R | 70.8 | Confident | 71.4 | Confident | 233 Ų | 233 | 66.6 Ų | 66.6 | 88% | 0.879 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -67 | 135.7 | -179.5 | -150.3 | 176.2 | -166.3 | 178.5 | 5.6 | 110.7 | P845 | R843-P845 WeakPolarHBondContact O-CD 3.32Š|
| 844 | F | 58.4 | Low | 73.7 | Confident | 67 Ų | 67 | 61.7 Ų | 61.7 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 124.7 | -167.1 | -178.2 | -113.9 | 0 | 0 | 0 | 114.1 | A796 D842 R848 | A796-F844 HydrophobicContact CB-CD2 3.74Å; A796-F844 HydrophobicContact CB-CE2 4.05Å; D842-F844 PolarHBondContact O-N 2.86Å; F844-R848 VanDerWaalsContact CZ-NH2 3.26Å |
| 845 | P | 63.1 | Low | 76 | Confident | 66 Ų | 66 | 54.8 Ų | 54.8 | 43% | 0.429 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 133.1 | 168.5 | -15.6 | 31.4 | 0 | 0 | 0 | 111.6 | R843 | R843-P845 WeakPolarHBondContact O-CD 3.32Š|
| 846 | W | 65 | Low | 78.1 | Confident | 178 Ų | 178 | 51.5 Ų | 51.5 | 67% | 0.674 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -75.6 | -37.2 | -176 | -69.6 | 69.6 | 0 | 0 | 0 | 112.8 | H1083 F1084 | W846-H1083 AromaticContact CE3-CE1 3.72Å; W846-H1083 AromaticContact CE3-NE2 3.58Å; W846-H1083 WeakPolarHBondContact O-CA 3.37Å; W846-F1084 PolarHBondContact O-N 2.8Å |
| 847 | F | 76.3 | Confident | 80 | Confident | 77 Ų | 77 | 47.7 Ų | 47.7 | 34% | 0.338 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 142.6 | 168.1 | -68.6 | -83.1 | 0 | 0 | 0 | 109.9 | F1025 H1083 | F847-F1025 HydrophobicContact CD1-CD1 4.35Å; F847-F1025 AromaticContact CD1-CE1 3.76Å; F847-F1025 HydrophobicContact CD1-CE1 3.76Å; F847-F1025 HydrophobicContact CE1-CD1 4.32Å; F847-F1025 HydrophobicContact CE1-CE1 4.02Å; F847-F1025 HydrophobicContact CG-CE1 4.19Å; F847-H1083 HydrophobicContact CD1-CB 4.04Å; F847-H1083 HydrophobicContact CE1-CB 3.94Å |
| 848 | R | 77.6 | Confident | 81 | Confident | 57 Ų | 57 | 45.5 Ų | 45.5 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 146.3 | 173.1 | -67.8 | -170.8 | -175 | 179.8 | -0.3 | 109.8 | G795 F844 V850 Y1021 F1081 G1082 F1084 | G795-R848 PolarHBondContact O-NH2 3.46Å; F844-R848 VanDerWaalsContact CZ-NH2 3.26Å; R848-V850 PolarHBondContact O-N 2.82Å; R848-Y1021 HydrophobicContact CB-CE1 4.05Å; R848-F1081 WeakPolarHBondContact O-CA 3.29Å; R848-G1082 PolarHBondContact N-O 2.96Å; R848-G1082 PolarHBondContact O-N 3.38Å; R848-F1084 HydrophobicContact CG-CB 4.09Å; R848-F1084 VanDerWaalsContact CZ-CD1 3.46Å |
| 849 | L | 84.8 | Confident | 81.4 | Confident | 42 Ų | 42 | 43.3 Ų | 43.3 | 22% | 0.22 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 115.4 | 168.3 | -179.8 | 69.1 | 0 | 0 | 0 | 110 | R852 E1079 F1081 | L849-R852 HydrophobicContact CD2-CG 4.21Å; L849-R852 VanDerWaalsContact CD2-NH2 3.3Å; L849-E1079 HydrophobicContact CD1-CB 3.91Å; L849-F1081 HydrophobicContact CB-CD1 4.25Å; L849-F1081 HydrophobicContact CB-CE1 4.07Å; L849-F1081 HydrophobicContact CD1-CD1 4.4Å; L849-F1081 HydrophobicContact CD1-CE1 4.11Å; L849-F1081 HydrophobicContact CD1-CE2 4.23Å; L849-F1081 HydrophobicContact CD1-CZ 4.02Å |
| 850 | V | 86.2 | Confident | 81.4 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | -33.9 | 172.4 | -176 | 0 | 0 | 0 | 0 | 110.6 | R848 I872 Q880 V1017 Y1021 L1024 V1080 | R848-V850 PolarHBondContact O-N 2.82Å; V850-I872 HydrophobicContact CG1-CG2 4.4Å; V850-Q880 HydrophobicContact CG1-CB 3.83Å; V850-Q880 WeakPolarHBondContact O-CG 3.43Å; V850-V1017 HydrophobicContact CG1-CG1 3.93Å; V850-Y1021 HydrophobicContact CG2-CD1 3.7Å; V850-Y1021 HydrophobicContact CG2-CD2 4.23Å; V850-Y1021 HydrophobicContact CG2-CE1 4.11Å; V850-Y1021 HydrophobicContact CG2-CG 3.77Å; V850-L1024 HydrophobicContact CG2-CD2 3.79Å; V850-V1080 WeakPolarHBondContact CA-O 3.41Å; V850-V1080 HydrophobicContact CB-CB 4.46Å; V850-V1080 HydrophobicContact CB-CG1 4.29Å; V850-V1080 VanDerWaalsContact CB-O 3.29Å; V850-V1080 WeakPolarHBondContact CB-O 3.15Å; V850-V1080 HydrophobicContact CG2-CG1 4.46Å; V850-V1080 PolarHBondContact N-O 2.92Å |
| 851 | G | 87.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.6 | 175.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | V873 V1080 | G851-V873 CarbonylContact C-O 3.51Å; G851-V873 WeakPolarHBondContact CA-O 3.35Å; G851-V1080 PolarHBondContact N-O 3.36Å; G851-V1080 PolarHBondContact O-N 3.47Å |
| 852 | R | 89.8 | Confident | 81 | Confident | 26 Ų | 26 | 46.2 Ų | 46.2 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 150.9 | -178.5 | -55.9 | -173.4 | 169.4 | 85.5 | 7.9 | 111.4 | M760 Y761 P763 L849 F854 V873 E875 F1078 E1079 | M760-R852 WeakPolarHBondContact O-CD 3.19Å; Y761-R852 WeakPolarHBondContact O-CD 3.3Å; Y761-R852 PolarHBondContact O-NH1 2.63Å; P763-R852 VanDerWaalsContact CD-CZ 3.47Å; P763-R852 VanDerWaalsContact CD-NH1 3.29Å; L849-R852 HydrophobicContact CD2-CG 4.21Å; L849-R852 VanDerWaalsContact CD2-NH2 3.3Å; R852-F854 HydrophobicContact CB-CE1 4.44Å; R852-F854 HydrophobicContact CB-CZ 4.21Å; R852-V873 PolarHBondContact N-O 3.02Å; R852-V873 PolarHBondContact O-N 3.34Å; R852-E875 IonicContact CZ-OE1 2.64Å; R852-E875 IonicContact NH1-OE1 3.48Å; R852-E875 PolarHBondContact NH1-OE1 3.02Å; R852-E875 IonicContact NH2-OE1 2.99Å; R852-F1078 CarbonylContact C-O 3.57Å; R852-F1078 WeakPolarHBondContact CA-O 3.49Å; R852-E1079 HydrophobicContact CG-CG 4.23Å; R852-E1079 IonicContact CZ-OE1 3.28Å; R852-E1079 IonicContact NE-OE1 3.78Å; R852-E1079 PolarHBondContact NE-OE1 2.99Å; R852-E1079 IonicContact NH2-OE1 2.99Å; R852-E1079 PolarHBondContact NH2-OE1 2.79Å |
| 853 | A | 89.2 | Confident | 81.1 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 144.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V870 S871 F1078 | A853-V870 HydrophobicContact CB-CB 4.45Å; A853-V870 HydrophobicContact CB-CG2 3.83Å; A853-S871 VanDerWaalsContact CB-O 3.25Å; A853-S871 WeakPolarHBondContact CB-O 3.2Å; A853-F1078 HydrophobicContact CB-CB 4.36Å; A853-F1078 PolarHBondContact N-O 3.48Å; A853-F1078 PolarHBondContact O-N 2.75Å |
| 854 | F | 88.5 | Confident | 81.6 | Confident | 12 Ų | 12 | 36.8 Ų | 36.8 | 5% | 0.053 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133 | -172.5 | -57.1 | -52.8 | 0 | 0 | 0 | 113 | M760 Y761 R852 V870 P1075 I1077 | M760-F854 HydrophobicContact CB-CE1 4.28Å; M760-F854 HydrophobicContact CB-CE2 4.04Å; M760-F854 HydrophobicContact CB-CZ 3.7Å; M760-F854 HydrophobicContact CE-CD1 4.07Å; M760-F854 HydrophobicContact CE-CE1 3.82Å; M760-F854 HydrophobicContact CE-CZ 4.36Å; M760-F854 VanDerWaalsContact O-CZ 3.26Å; M760-F854 WeakPolarHBondContact O-CZ 2.93Å; Y761-F854 HydrophobicContact CD1-CD2 4.48Å; Y761-F854 AromaticContact CD1-CE2 3.48Å; Y761-F854 HydrophobicContact CD1-CE2 3.48Å; Y761-F854 VanDerWaalsContact CD1-CE2 3.48Å; Y761-F854 AromaticContact CD1-CZ 3.96Å; Y761-F854 HydrophobicContact CD1-CZ 3.96Å; Y761-F854 HydrophobicContact CD2-CE2 4.11Å; Y761-F854 AromaticContact CE1-CD2 3.89Å; Y761-F854 HydrophobicContact CE1-CD2 3.89Å; Y761-F854 AromaticContact CE1-CE2 3.31Å; Y761-F854 HydrophobicContact CE1-CE2 3.31Å; Y761-F854 HydrophobicContact CE1-CZ 4.18Å; Y761-F854 AromaticContact CE2-CE2 3.99Å; Y761-F854 HydrophobicContact CE2-CE2 3.99Å; Y761-F854 AromaticContact CG-CE2 3.88Å; Y761-F854 HydrophobicContact CG-CE2 3.88Å; Y761-F854 HydrophobicContact CG-CZ 4.32Å; Y761-F854 AromaticContact CZ-CD2 3.94Å; Y761-F854 AromaticContact CZ-CE2 3.58Å; R852-F854 HydrophobicContact CB-CE1 4.44Å; R852-F854 HydrophobicContact CB-CZ 4.21Å; F854-V870 WeakPolarHBondContact O-CG1 3.29Å; F854-P1075 HydrophobicContact CB-CB 3.8Å; F854-P1075 HydrophobicContact CB-CG 3.96Å; F854-P1075 HydrophobicContact CD1-CG 3.99Å; F854-P1075 HydrophobicContact CG-CB 4.47Å; F854-P1075 HydrophobicContact CG-CG 4.12Å; F854-I1077 HydrophobicContact CD1-CB 4.46Å; F854-I1077 HydrophobicContact CD1-CG1 4.04Å; F854-I1077 HydrophobicContact CD1-CG2 4.44Å; F854-I1077 HydrophobicContact CE1-CB 4.34Å; F854-I1077 HydrophobicContact CE1-CD1 4.3Å; F854-I1077 HydrophobicContact CE1-CG1 3.88Å; F854-I1077 HydrophobicContact CE1-CG2 3.97Å |
| 855 | V | 88.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 113.7 | 174.2 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | H868 V870 I885 V887 P1075 I1076 F1078 | V855-H868 HydrophobicContact CG1-CB 4.41Å; V855-H868 WeakPolarHBondContact CG1-ND1 3.21Å; V855-H868 HydrophobicContact CG2-CB 4.16Å; V855-V870 HydrophobicContact CG2-CG1 4.22Å; V855-V870 HydrophobicContact CG2-CG2 4.46Å; V855-I885 HydrophobicContact CG2-CB 4.41Å; V855-I885 HydrophobicContact CG2-CD1 3.61Å; V855-V887 HydrophobicContact CG1-CG2 4.01Å; V855-P1075 CarbonylContact O-C 3.56Å; V855-P1075 VanDerWaalsContact O-CA 3.25Å; V855-P1075 WeakPolarHBondContact O-CA 3.27Å; V855-P1075 WeakPolarHBondContact O-CB 3.32Å; V855-I1076 PolarHBondContact N-O 3.11Å; V855-I1076 VanDerWaalsContact N-O 3.07Å; V855-I1076 PolarHBondContact O-N 2.89Å; V855-F1078 HydrophobicContact CB-CD2 4.46Å; V855-F1078 HydrophobicContact CB-CE2 3.95Å; V855-F1078 HydrophobicContact CG2-CD2 4.03Å; V855-F1078 HydrophobicContact CG2-CE2 3.77Å |
| 856 | Y | 86.5 | Confident | 83.9 | Confident | 23 Ų | 23 | 34 Ų | 34 | 9% | 0.09 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 137.7 | 172.6 | -58.1 | -91.7 | 0 | 0 | 0 | 110.4 | T858 P1075 R1393 L1396 | Y856-T858 VanDerWaalsContact C-N 3.26Å; Y856-T858 PolarHBondContact O-N 3.2Å; Y856-P1075 HydrophobicContact CD1-CB 3.99Å; Y856-P1075 HydrophobicContact CE1-CB 4.09Å; Y856-P1075 HydrophobicContact CE1-CG 4.2Å; Y856-P1075 HydrophobicContact CG-CB 4.21Å; Y856-R1393 HydrophobicContact CE2-CB 4.04Å; Y856-R1393 HydrophobicContact CE2-CG 4.38Å; Y856-L1396 HydrophobicContact CD2-CD1 4.29Å; Y856-L1396 WeakPolarHBondContact O-CD1 3.43Å |
| 857 | L | 87.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -85.3 | 9.6 | -175.7 | -65.8 | 176.2 | 0 | 0 | 0 | 114.2 | N859 L860 V887 F1007 F1030 Y1070 I1071 I1076 | L857-N859 PolarHBondContact O-N 3.34Å; L857-L860 HydrophobicContact CB-CD1 4.12Å; L857-L860 HydrophobicContact CB-CG 4.41Å; L857-L860 HydrophobicContact CD2-CD1 4.27Å; L857-L860 VanDerWaalsContact O-CB 3.32Å; L857-L860 WeakPolarHBondContact O-CB 3.07Å; L857-L860 WeakPolarHBondContact O-CG 3.15Å; L857-L860 PolarHBondContact O-N 3.29Å; L857-V887 HydrophobicContact CD2-CG1 3.96Å; L857-F1007 HydrophobicContact CD1-CZ 4.25Å; L857-F1007 HydrophobicContact CD2-CE2 4.3Å; L857-F1030 HydrophobicContact CD1-CE1 4.04Å; L857-Y1070 HydrophobicContact CD1-CD1 4.44Å; L857-Y1070 HydrophobicContact CD1-CE1 4.27Å; L857-I1071 HydrophobicContact CB-CG1 4.21Å; L857-I1071 HydrophobicContact CB-CG2 4.33Å; L857-I1076 HydrophobicContact CD1-CD1 4.08Å; L857-I1076 HydrophobicContact CD1-CG1 4.07Å; L857-I1076 HydrophobicContact CD2-CD1 3.83Å; L857-I1076 HydrophobicContact CD2-CG1 4.28Å; L857-I1076 HydrophobicContact CG-CD1 4.25Å; L857-I1076 HydrophobicContact CG-CG1 4.22Å | ||
| 858 | T | 85.2 | Confident | 85.6 | Confident | 32 Ų | 32 | 25.2 Ų | 25.2 | 20% | 0.196 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -11.7 | -173.2 | -33.8 | 0 | 0 | 0 | 0 | 113.9 | Y856 L860 L861 F862 I1071 | Y856-T858 VanDerWaalsContact C-N 3.26Å; Y856-T858 PolarHBondContact O-N 3.2Å; T858-L860 VanDerWaalsContact C-N 3.34Å; T858-L861 HydrophobicContact CG2-CD1 3.78Å; T858-F862 WeakPolarHBondContact O-CD2 3.46Å; T858-I1071 PolarHBondContact OG1-O 2.99Å |
| 859 | N | 85.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -22.4 | 170.4 | 70.2 | -71.8 | 0 | 0 | 0 | 113.7 | L857 L861 F862 V864 L866 V887 L1400 | L857-N859 PolarHBondContact O-N 3.34Å; N859-L861 VanDerWaalsContact C-N 3.3Å; N859-L861 PolarHBondContact O-N 2.77Å; N859-F862 PolarHBondContact O-N 2.62Å; N859-V864 PolarHBondContact ND2-O 2.85Å; N859-V864 PolarHBondContact O-N 2.99Å; N859-L866 HydrophobicContact CB-CB 4.07Å; N859-L866 HydrophobicContact CB-CD2 3.91Å; N859-V887 PolarHBondContact ND2-O 3.11Å; N859-L1400 HydrophobicContact CB-CD1 4.01Å |
| 860 | L | 86.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -66.3 | -31.9 | 175.6 | -61 | -174.7 | 0 | 0 | 0 | 111.7 | L857 T858 F862 N863 V887 I889 H998 M999 F1007 | L857-L860 HydrophobicContact CB-CD1 4.12Å; L857-L860 HydrophobicContact CB-CG 4.41Å; L857-L860 HydrophobicContact CD2-CD1 4.27Å; L857-L860 VanDerWaalsContact O-CB 3.32Å; L857-L860 WeakPolarHBondContact O-CB 3.07Å; L857-L860 WeakPolarHBondContact O-CG 3.15Å; L857-L860 PolarHBondContact O-N 3.29Å; T858-L860 VanDerWaalsContact C-N 3.34Å; L860-F862 PolarHBondContact O-N 2.69Å; L860-N863 PolarHBondContact O-N 2.68Å; L860-V887 HydrophobicContact CD2-CG1 3.86Å; L860-V887 HydrophobicContact CG-CG1 4.35Å; L860-I889 HydrophobicContact CD2-CG1 3.86Å; L860-H998 PolarHBondContact O-NE2 3.4Å; L860-M999 HydrophobicContact CB-CE 3.52Å; L860-F1007 HydrophobicContact CD1-CB 4.32Å; L860-F1007 HydrophobicContact CD1-CD1 3.91Å; L860-F1007 HydrophobicContact CD1-CD2 4.11Å; L860-F1007 HydrophobicContact CD1-CE1 4.15Å; L860-F1007 HydrophobicContact CD1-CE2 4.35Å; L860-F1007 HydrophobicContact CD1-CG 3.88Å; L860-F1007 HydrophobicContact CD1-CZ 4.37Å; L860-F1007 HydrophobicContact CD2-CB 4.07Å; L860-F1007 HydrophobicContact CD2-CG 4.43Å |
| 861 | L | 82.5 | Confident | 86.5 | Confident | 16 Ų | 16 | 25.1 Ų | 25.1 | 8% | 0.084 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -59.9 | -11.7 | 174.2 | -62.5 | 174.5 | 0 | 0 | 0 | 113.9 | T858 N859 P996 M999 I1071 | T858-L861 HydrophobicContact CG2-CD1 3.78Å; N859-L861 VanDerWaalsContact C-N 3.3Å; N859-L861 PolarHBondContact O-N 2.77Å; L861-P996 WeakPolarHBondContact O-CG 3.5Å; L861-M999 HydrophobicContact CD2-SD 3.77Å; L861-I1071 HydrophobicContact CD1-CG2 4.05Å; L861-I1071 HydrophobicContact CD2-CG2 3.9Å; L861-I1071 HydrophobicContact CG-CG2 3.66Å |
| 862 | F | 80.3 | Confident | 86.6 | Confident | 101 Ų | 101 | 25 Ų | 25 | 44% | 0.443 | 13% | 0.129 | S | C | . | . | G | 310 helix | trans | -125.2 | 6.3 | -175.8 | -60.1 | -84.1 | 0 | 0 | 0 | 113.5 | T858 N859 L860 V864 L1400 L1404 | T858-F862 WeakPolarHBondContact O-CD2 3.46Å; N859-F862 PolarHBondContact O-N 2.62Å; L860-F862 PolarHBondContact O-N 2.69Å; F862-V864 VanDerWaalsContact C-N 3.27Å; F862-V864 HydrophobicContact CB-CG2 3.85Å; F862-V864 PolarHBondContact O-N 2.67Å; F862-L1400 HydrophobicContact CD2-CD1 4.18Å; F862-L1400 HydrophobicContact CD2-CD2 3.81Å; F862-L1400 HydrophobicContact CD2-CG 4.32Å; F862-L1400 HydrophobicContact CE2-CD2 3.81Å; F862-L1404 HydrophobicContact CB-CD2 3.95Å; F862-L1404 HydrophobicContact CD1-CD1 4.03Å; F862-L1404 HydrophobicContact CD1-CD2 3.95Å; F862-L1404 HydrophobicContact CE1-CD1 4.22Å; F862-L1404 HydrophobicContact CG-CD1 4.22Å; F862-L1404 HydrophobicContact CG-CD2 4.1Å |
| 863 | N | 82.8 | Confident | 86.5 | Confident | 67 Ų | 67 | 23.8 Ų | 23.8 | 36% | 0.358 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 46.9 | -168.3 | -165.3 | 11 | 0 | 0 | 0 | 113.3 | L860 I889 | L860-N863 PolarHBondContact O-N 2.68Å; N863-I889 HydrophobicContact CB-CD1 4.03Å; N863-I889 WeakPolarHBondContact OD1-CB 3.42Å |
| 864 | V | 81 | Confident | 86.3 | Confident | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.03 | 13% | 0.131 | C | C | . | . | trans | -107.9 | 115.9 | -179.3 | 172 | 0 | 0 | 0 | 0 | 110.8 | N859 F862 L866 L1400 R1403 L1404 | N859-V864 PolarHBondContact ND2-O 2.85Å; N859-V864 PolarHBondContact O-N 2.99Å; F862-V864 VanDerWaalsContact C-N 3.27Å; F862-V864 HydrophobicContact CB-CG2 3.85Å; F862-V864 PolarHBondContact O-N 2.67Å; V864-L866 PolarHBondContact O-N 2.75Å; V864-L1400 HydrophobicContact CB-CD1 4.14Å; V864-L1400 HydrophobicContact CG1-CD1 4.22Å; V864-L1400 HydrophobicContact CG2-CD1 4.35Å; V864-R1403 HydrophobicContact CG1-CB 3.52Å; V864-R1403 HydrophobicContact CG1-CG 3.86Å; V864-L1404 HydrophobicContact CG2-CD2 3.98Å; V864-L1404 HydrophobicContact CG2-CG 4.46Å | ||
| 865 | P | 85.4 | Confident | 85.6 | Confident | 65 Ų | 65 | 28 Ų | 28 | 42% | 0.422 | 14% | 0.144 | S | C | . | . | trans | -68.7 | 121.2 | 172.3 | 27 | -33.5 | 0 | 0 | 0 | 110.8 | Q888 | P865-Q888 HydrophobicContact CB-CB 3.77Š| ||
| 866 | L | 85.7 | Confident | 84.9 | Confident | 10 Ų | 10 | 32 Ų | 32 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 122.9 | -170.8 | -170.7 | 53.4 | 0 | 0 | 0 | 112.5 | N859 V864 H868 V887 R1399 R1403 | N859-L866 HydrophobicContact CB-CB 4.07Å; N859-L866 HydrophobicContact CB-CD2 3.91Å; V864-L866 PolarHBondContact O-N 2.75Å; L866-H868 VanDerWaalsContact CD2-NE2 3.34Å; L866-H868 WeakPolarHBondContact CD2-NE2 2.91Å; L866-H868 PolarHBondContact O-ND1 3.38Å; L866-V887 PolarHBondContact N-O 3.46Å; L866-V887 PolarHBondContact O-N 3.44Å; L866-R1399 HydrophobicContact CD1-CB 4.27Å; L866-R1403 HydrophobicContact CD1-CG 4.27Å |
| 867 | V | 89 | Confident | 84.3 | Confident | 69 Ų | 69 | 31.1 Ų | 31.1 | 42% | 0.418 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 104.5 | 172.6 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | K869 I885 L1012 | V867-K869 PolarHBondContact O-N 2.66Å; V867-I885 CarbonylContact C-O 3.43Å; V867-I885 WeakPolarHBondContact CA-O 3.12Å; V867-L1012 HydrophobicContact CG1-CD1 4Å |
| 868 | H | 86.9 | Confident | 84 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 115.9 | 176.5 | -60.7 | 103.5 | 0 | 0 | 0 | 110.3 | V855 L866 V870 R884 I885 L1396 | V855-H868 HydrophobicContact CG1-CB 4.41Å; V855-H868 WeakPolarHBondContact CG1-ND1 3.21Å; V855-H868 HydrophobicContact CG2-CB 4.16Å; L866-H868 VanDerWaalsContact CD2-NE2 3.34Å; L866-H868 WeakPolarHBondContact CD2-NE2 2.91Å; L866-H868 PolarHBondContact O-ND1 3.38Å; H868-V870 HydrophobicContact CB-CG1 4.2Å; H868-R884 CarbonylContact O-C 3.6Å; H868-R884 WeakPolarHBondContact O-CA 3.31Å; H868-I885 WeakPolarHBondContact CB-O 3.44Å; H868-I885 PolarHBondContact N-O 3.19Å; H868-I885 PolarHBondContact O-N 3.16Å; H868-L1396 WeakPolarHBondContact NE2-CD1 3.5Å |
| 869 | K | 89 | Confident | 84 | Confident | 88 Ų | 88 | 34.8 Ų | 34.8 | 38% | 0.383 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 110.9 | 157.9 | -177.8 | -176.5 | 178.5 | -179.6 | 0 | 108 | V867 L883 R884 R1399 | V867-K869 PolarHBondContact O-N 2.66Å; K869-L883 WeakPolarHBondContact CA-O 3.1Å; K869-R884 HydrophobicContact CB-CG 4.47Å; K869-R884 HydrophobicContact CG-CG 4.49Å; K869-R1399 VanDerWaalsContact O-CZ 3.3Å; K869-R1399 PolarHBondContact O-NH1 3.46Å; K869-R1399 PolarHBondContact O-NH2 3.29Å |
| 870 | V | 88.6 | Confident | 84.1 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 4% | 0.036 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 155.8 | -176.8 | -68.7 | 0 | 0 | 0 | 0 | 109.7 | A853 F854 V855 H868 Y882 L883 I885 | A853-V870 HydrophobicContact CB-CB 4.45Å; A853-V870 HydrophobicContact CB-CG2 3.83Å; F854-V870 WeakPolarHBondContact O-CG1 3.29Å; V855-V870 HydrophobicContact CG2-CG1 4.22Å; V855-V870 HydrophobicContact CG2-CG2 4.46Å; H868-V870 HydrophobicContact CB-CG1 4.2Å; V870-Y882 CarbonylContact O-C 3.55Å; V870-Y882 WeakPolarHBondContact O-CA 3.42Å; V870-Y882 WeakPolarHBondContact O-CB 3.43Å; V870-L883 HydrophobicContact CG2-CB 4.13Å; V870-L883 PolarHBondContact N-O 2.8Å; V870-L883 PolarHBondContact O-N 3.35Å; V870-I885 HydrophobicContact CG2-CD1 4.18Å |
| 871 | S | 90.2 | Very high | 84.2 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.028 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 136.3 | 172.5 | 40.8 | 0 | 0 | 0 | 0 | 110.8 | A853 G881 | A853-S871 VanDerWaalsContact CB-O 3.25Å; A853-S871 WeakPolarHBondContact CB-O 3.2Å; S871-G881 WeakPolarHBondContact CA-O 3.46Å |
| 872 | I | 90.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 123.8 | 160.3 | -56.8 | 163.8 | 0 | 0 | 0 | 105.4 | V850 V879 Q880 G881 L883 A1014 V1017 V1080 | V850-I872 HydrophobicContact CG1-CG2 4.4Å; I872-V879 CarbonylContact O-C 3.13Å; I872-V879 VanDerWaalsContact O-CA 3.26Å; I872-V879 WeakPolarHBondContact O-CA 3.31Å; I872-Q880 PolarHBondContact O-N 3.46Å; I872-G881 PolarHBondContact N-O 2.7Å; I872-G881 PolarHBondContact O-N 2.88Å; I872-L883 HydrophobicContact CD1-CB 4.35Å; I872-L883 HydrophobicContact CG1-CB 4.1Å; I872-A1014 HydrophobicContact CD1-CB 4.49Å; I872-V1017 HydrophobicContact CD1-CG2 4.15Å; I872-V1080 HydrophobicContact CD1-CB 4.47Å; I872-V1080 HydrophobicContact CD1-CG1 4.49Å; I872-V1080 HydrophobicContact CD1-CG2 3.93Å; I872-V1080 HydrophobicContact CG1-CG2 4.09Å; I872-V1080 HydrophobicContact CG2-CB 4.24Å; I872-V1080 HydrophobicContact CG2-CG2 4.33Å |
| 873 | V | 87.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 126 | -173.1 | -167.6 | 0 | 0 | 0 | 0 | 109.5 | Y761 G851 R852 G877 E878 V879 L1388 | Y761-V873 HydrophobicContact CD1-CB 3.76Å; Y761-V873 HydrophobicContact CD1-CG1 4.06Å; Y761-V873 HydrophobicContact CD1-CG2 4.35Å; Y761-V873 HydrophobicContact CE1-CB 3.56Å; Y761-V873 HydrophobicContact CE1-CG1 4.01Å; Y761-V873 HydrophobicContact CE1-CG2 3.62Å; G851-V873 CarbonylContact C-O 3.51Å; G851-V873 WeakPolarHBondContact CA-O 3.35Å; R852-V873 PolarHBondContact N-O 3.02Å; R852-V873 PolarHBondContact O-N 3.34Å; V873-G877 VanDerWaalsContact CG1-C 3.42Å; V873-E878 CarbonylContact C-O 3.52Å; V873-E878 VanDerWaalsContact CA-O 3.32Å; V873-E878 WeakPolarHBondContact CA-O 3.2Å; V873-V879 HydrophobicContact CG2-CG2 4.35Å; V873-L1388 HydrophobicContact CG1-CD1 4.45Å |
| 874 | N | 85.7 | Confident | 85.6 | Confident | 27 Ų | 27 | 35 Ų | 35 | 14% | 0.144 | 17% | 0.171 | C | C | . | . | trans | -74.6 | 173.3 | 173.7 | 72.5 | 3.5 | 0 | 0 | 0 | 111.4 | K876 G877 E878 Q880 | N874-K876 PolarHBondContact O-N 3.37Å; N874-K876 PolarHBondContact OD1-N 3.07Å; N874-G877 PolarHBondContact O-N 3.21Å; N874-G877 PolarHBondContact OD1-N 3.4Å; N874-E878 PolarHBondContact N-O 3.46Å; N874-E878 PolarHBondContact ND2-OE2 3.48Å; N874-E878 WeakPolarHBondContact OD1-CA 3.48Å; N874-E878 WeakPolarHBondContact OD1-CB 3.44Å; N874-E878 WeakPolarHBondContact OD1-CG 3.4Å; N874-E878 PolarHBondContact OD1-N 3.37Å; N874-E878 PolarHBondContact OD1-O 2.91Å; N874-Q880 HydrophobicContact CB-CG 3.92Å; N874-Q880 PolarHBondContact ND2-NE2 2.9Å | ||
| 875 | E | 74.2 | Confident | 86.1 | Confident | 73 Ų | 73 | 34.8 Ų | 34.8 | 34% | 0.341 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -29 | -174 | -67.1 | 170.2 | 159.1 | 0 | 0 | 112.3 | R852 G877 | R852-E875 IonicContact CZ-OE1 2.64Å; R852-E875 IonicContact NH1-OE1 3.48Å; R852-E875 PolarHBondContact NH1-OE1 3.02Å; R852-E875 IonicContact NH2-OE1 2.99Å; E875-G877 PolarHBondContact O-N 2.8Å; E875-G877 VanDerWaalsContact O-N 3.11Å |
| 876 | K | 71.7 | Confident | 86.3 | Confident | 85 Ų | 85 | 32.1 Ų | 32.1 | 37% | 0.37 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 18.6 | 172.7 | -53.9 | -171.8 | 180 | -172.1 | 0 | 113.8 | E788 N874 E878 E1381 R1384 | E788-K876 IonicContact OE1-NZ 3.01Å; N874-K876 PolarHBondContact O-N 3.37Å; N874-K876 PolarHBondContact OD1-N 3.07Å; K876-E878 VanDerWaalsContact C-N 3.26Å; K876-E878 HydrophobicContact CB-CG 4.33Å; K876-E878 WeakPolarHBondContact O-CG 3.29Å; K876-E878 PolarHBondContact O-N 3.24Å; K876-E1381 WeakPolarHBondContact CA-OE1 3.27Å; K876-R1384 PolarHBondContact O-NH1 2.81Å; K876-R1384 VanDerWaalsContact O-NH1 3.16Å; K876-R1384 PolarHBondContact O-NH2 2.84Å |
| 877 | G | 74.1 | Confident | 86.6 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 64.1 | 20.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | V873 N874 E875 R1384 | V873-G877 VanDerWaalsContact CG1-C 3.42Å; N874-G877 PolarHBondContact O-N 3.21Å; N874-G877 PolarHBondContact OD1-N 3.4Å; E875-G877 PolarHBondContact O-N 2.8Å; E875-G877 VanDerWaalsContact O-N 3.11Å; G877-R1384 PolarHBondContact O-NE 3.41Å; G877-R1384 PolarHBondContact O-NH2 2.86Å |
| 878 | E | 81.3 | Confident | 86.6 | Confident | 78 Ų | 78 | 31.5 Ų | 31.5 | 36% | 0.364 | 15% | 0.147 | S | C | . | . | trans | -96.7 | 128.8 | -177.6 | -46.4 | -179 | 105.6 | 0 | 0 | 111.5 | V873 N874 K876 Q880 | V873-E878 CarbonylContact C-O 3.52Å; V873-E878 VanDerWaalsContact CA-O 3.32Å; V873-E878 WeakPolarHBondContact CA-O 3.2Å; N874-E878 PolarHBondContact N-O 3.46Å; N874-E878 PolarHBondContact ND2-OE2 3.48Å; N874-E878 WeakPolarHBondContact OD1-CA 3.48Å; N874-E878 WeakPolarHBondContact OD1-CB 3.44Å; N874-E878 WeakPolarHBondContact OD1-CG 3.4Å; N874-E878 PolarHBondContact OD1-N 3.37Å; N874-E878 PolarHBondContact OD1-O 2.91Å; K876-E878 VanDerWaalsContact C-N 3.26Å; K876-E878 HydrophobicContact CB-CG 4.33Å; K876-E878 WeakPolarHBondContact O-CG 3.29Å; K876-E878 PolarHBondContact O-N 3.24Å; E878-Q880 PolarHBondContact O-N 2.9Å; E878-Q880 VanDerWaalsContact O-N 3.08Å; E878-Q880 PolarHBondContact OE2-NE2 2.76Å | ||
| 879 | V | 86.1 | Confident | 86.6 | Confident | 31 Ų | 31 | 32.5 Ų | 32.5 | 19% | 0.188 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 109.2 | 175 | 179.8 | 0 | 0 | 0 | 0 | 110 | I872 V873 G881 Y882 K1107 | I872-V879 CarbonylContact O-C 3.13Å; I872-V879 VanDerWaalsContact O-CA 3.26Å; I872-V879 WeakPolarHBondContact O-CA 3.31Å; V873-V879 HydrophobicContact CG2-CG2 4.35Å; V879-G881 VanDerWaalsContact CG1-O 3.25Å; V879-G881 WeakPolarHBondContact CG1-O 3.42Å; V879-Y882 HydrophobicContact CG1-CE1 4.21Å; V879-K1107 WeakPolarHBondContact O-CE 3.06Å; V879-K1107 PolarHBondContact O-NZ 2.86Å |
| 880 | Q | 87.3 | Confident | 86.3 | Confident | 37 Ų | 37 | 28.6 Ų | 28.6 | 17% | 0.173 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -4.3 | 175.6 | -63.9 | -59.1 | -14.3 | 0 | 0 | 113.3 | V850 I872 N874 E878 K1016 P1018 | V850-Q880 HydrophobicContact CG1-CB 3.83Å; V850-Q880 WeakPolarHBondContact O-CG 3.43Å; I872-Q880 PolarHBondContact O-N 3.46Å; N874-Q880 HydrophobicContact CB-CG 3.92Å; N874-Q880 PolarHBondContact ND2-NE2 2.9Å; E878-Q880 PolarHBondContact O-N 2.9Å; E878-Q880 VanDerWaalsContact O-N 3.08Å; E878-Q880 PolarHBondContact OE2-NE2 2.76Å; Q880-K1016 VanDerWaalsContact O-O 3.1Å; Q880-P1018 WeakPolarHBondContact O-CD 3.39Å |
| 881 | G | 88.8 | Confident | 85.6 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.9 | -164.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S871 I872 V879 L1015 | S871-G881 WeakPolarHBondContact CA-O 3.46Å; I872-G881 PolarHBondContact N-O 2.7Å; I872-G881 PolarHBondContact O-N 2.88Å; V879-G881 VanDerWaalsContact CG1-O 3.25Å; V879-G881 WeakPolarHBondContact CG1-O 3.42Å; G881-L1015 CarbonylContact C-O 3.51Å; G881-L1015 WeakPolarHBondContact CA-O 3.48Å |
| 882 | Y | 91 | Very high | 84.4 | Confident | 59 Ų | 59 | 41.9 Ų | 41.9 | 23% | 0.231 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 138.3 | 170.8 | -54.7 | -88.4 | 0 | 0 | 0 | 111.3 | V870 V879 A1014 L1015 | V870-Y882 CarbonylContact O-C 3.55Å; V870-Y882 WeakPolarHBondContact O-CA 3.42Å; V870-Y882 WeakPolarHBondContact O-CB 3.43Å; V879-Y882 HydrophobicContact CG1-CE1 4.21Å; Y882-A1014 CarbonylContact O-C 3.49Å; Y882-A1014 WeakPolarHBondContact O-CA 3.41Å; Y882-L1015 PolarHBondContact N-O 2.9Å; Y882-L1015 PolarHBondContact O-N 2.96Å |
| 883 | L | 91.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 141.6 | 174.8 | -165.3 | 59.8 | 0 | 0 | 0 | 109.2 | K869 V870 I872 I885 V1011 A1014 F1053 F1078 V1080 | K869-L883 WeakPolarHBondContact CA-O 3.1Å; V870-L883 HydrophobicContact CG2-CB 4.13Å; V870-L883 PolarHBondContact N-O 2.8Å; V870-L883 PolarHBondContact O-N 3.35Å; I872-L883 HydrophobicContact CD1-CB 4.35Å; I872-L883 HydrophobicContact CG1-CB 4.1Å; L883-I885 HydrophobicContact CD2-CD1 3.78Å; L883-I885 HydrophobicContact CD2-CG1 4.22Å; L883-I885 HydrophobicContact CG-CD1 4.01Å; L883-I885 HydrophobicContact CG-CG1 4.05Å; L883-V1011 HydrophobicContact CD1-CG1 4.05Å; L883-A1014 HydrophobicContact CD1-CB 4.06Å; L883-F1053 HydrophobicContact CD1-CD2 4.16Å; L883-F1053 HydrophobicContact CD1-CE2 3.98Å; L883-F1078 HydrophobicContact CD2-CB 3.9Å; L883-F1078 HydrophobicContact CD2-CD1 4.18Å; L883-F1078 HydrophobicContact CD2-CG 4.26Å; L883-V1080 HydrophobicContact CD2-CG2 4.27Å |
| 884 | R | 91.6 | Very high | 81.5 | Confident | 91 Ų | 91 | 51.5 Ų | 51.5 | 34% | 0.343 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 119 | 172.5 | -71.7 | -173.3 | 71.6 | -163.4 | 5.2 | 110.2 | H868 K869 L1012 Q1013 L1015 | H868-R884 CarbonylContact O-C 3.6Å; H868-R884 WeakPolarHBondContact O-CA 3.31Å; K869-R884 HydrophobicContact CB-CG 4.47Å; K869-R884 HydrophobicContact CG-CG 4.49Å; R884-L1012 HydrophobicContact CB-CB 4.2Å; R884-L1012 HydrophobicContact CB-CD1 4.45Å; R884-L1012 WeakPolarHBondContact O-CB 3.38Å; R884-L1012 PolarHBondContact O-N 2.9Å; R884-Q1013 HydrophobicContact CB-CG 3.87Å; R884-Q1013 HydrophobicContact CG-CG 4.05Å; R884-Q1013 PolarHBondContact N-O 2.85Å; R884-L1015 HydrophobicContact CG-CD1 4.38Å |
| 885 | I | 91.7 | Very high | 79.9 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 125.2 | -177.2 | -61.4 | 151.9 | 0 | 0 | 0 | 109.4 | V855 V867 H868 V870 L883 V887 V1009 S1010 F1078 | V855-I885 HydrophobicContact CG2-CB 4.41Å; V855-I885 HydrophobicContact CG2-CD1 3.61Å; V867-I885 CarbonylContact C-O 3.43Å; V867-I885 WeakPolarHBondContact CA-O 3.12Å; H868-I885 WeakPolarHBondContact CB-O 3.44Å; H868-I885 PolarHBondContact N-O 3.19Å; H868-I885 PolarHBondContact O-N 3.16Å; V870-I885 HydrophobicContact CG2-CD1 4.18Å; L883-I885 HydrophobicContact CD2-CD1 3.78Å; L883-I885 HydrophobicContact CD2-CG1 4.22Å; L883-I885 HydrophobicContact CG-CD1 4.01Å; L883-I885 HydrophobicContact CG-CG1 4.05Å; I885-V887 HydrophobicContact CG2-CG2 4.27Å; I885-V1009 HydrophobicContact CG2-CG1 4.04Å; I885-S1010 CarbonylContact C-O 3.49Å; I885-S1010 VanDerWaalsContact CA-O 3.26Å; I885-S1010 WeakPolarHBondContact CA-O 3.35Å; I885-F1078 HydrophobicContact CD1-CB 4.39Å; I885-F1078 HydrophobicContact CD1-CD1 3.56Å; I885-F1078 HydrophobicContact CD1-CD2 3.6Å; I885-F1078 HydrophobicContact CD1-CE1 3.66Å; I885-F1078 HydrophobicContact CD1-CE2 3.68Å; I885-F1078 HydrophobicContact CD1-CG 3.56Å; I885-F1078 HydrophobicContact CD1-CZ 3.72Å; I885-F1078 HydrophobicContact CG1-CD1 4.22Å; I885-F1078 HydrophobicContact CG1-CE1 4.02Å; I885-F1078 HydrophobicContact CG1-CZ 4.25Å; I885-F1078 HydrophobicContact CG2-CE1 4.22Å; I885-F1078 HydrophobicContact CG2-CE2 4.48Å; I885-F1078 HydrophobicContact CG2-CZ 3.85Å |
| 886 | G | 90.8 | Very high | 78.7 | Confident | 10 Ų | 10 | 57.5 Ų | 57.5 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 140.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1009 S1010 | G886-V1009 WeakPolarHBondContact O-CA 3.4Å; G886-S1010 PolarHBondContact N-O 2.94Å; G886-S1010 PolarHBondContact O-N 3.36Å |
| 887 | V | 91.1 | Very high | 77.7 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 124.8 | 168.6 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | V855 L857 N859 L860 L866 I885 R1008 | V855-V887 HydrophobicContact CG1-CG2 4.01Å; L857-V887 HydrophobicContact CD2-CG1 3.96Å; N859-V887 PolarHBondContact ND2-O 3.11Å; L860-V887 HydrophobicContact CD2-CG1 3.86Å; L860-V887 HydrophobicContact CG-CG1 4.35Å; L866-V887 PolarHBondContact N-O 3.46Å; L866-V887 PolarHBondContact O-N 3.44Å; I885-V887 HydrophobicContact CG2-CG2 4.27Å; V887-R1008 WeakPolarHBondContact CA-O 3.2Å |
| 888 | Q | 89.9 | Confident | 76.2 | Confident | 63 Ų | 63 | 63 Ų | 63 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 154.5 | 177.5 | 64.3 | -177.1 | 65.9 | 0 | 0 | 111.2 | P865 F1007 R1008 | P865-Q888 HydrophobicContact CB-CB 3.77Å; Q888-F1007 CarbonylContact O-C 3.55Å; Q888-F1007 VanDerWaalsContact O-CA 3.26Å; Q888-F1007 WeakPolarHBondContact O-CA 3.47Å; Q888-F1007 VanDerWaalsContact O-CB 3.28Å; Q888-F1007 WeakPolarHBondContact O-CB 3.16Å; Q888-R1008 HydrophobicContact CG-CB 4.01Å; Q888-R1008 PolarHBondContact N-O 2.83Å; Q888-R1008 VanDerWaalsContact N-O 3.17Å; Q888-R1008 PolarHBondContact O-N 2.71Å |
| 889 | I | 86.6 | Confident | 74.1 | Confident | 22 Ų | 22 | 68.1 Ų | 68.1 | 11% | 0.113 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 153.4 | 164.2 | -61.9 | -179.4 | 0 | 0 | 0 | 108.3 | L860 N863 H998 L1005 | L860-I889 HydrophobicContact CD2-CG1 3.86Å; N863-I889 HydrophobicContact CB-CD1 4.03Å; N863-I889 WeakPolarHBondContact OD1-CB 3.42Å; I889-H998 VanDerWaalsContact CD1-CD2 3.46Å; I889-H998 WeakPolarHBondContact CD1-CD2 3.11Å; I889-L1005 HydrophobicContact CD1-CD1 3.94Å; I889-L1005 HydrophobicContact CG1-CD1 4.18Å; I889-L1005 HydrophobicContact CG2-CD1 3.9Å |
| 890 | V | 83.1 | Confident | 71.9 | Confident | 6 Ų | 6 | 72.5 Ų | 72.5 | 4% | 0.036 | 35% | 0.35 | C | S | . | . | trans | -112.7 | 121.9 | 170.3 | -174.2 | 0 | 0 | 0 | 0 | 107.8 | E894 N895 T1006 R1008 | V890-E894 HydrophobicContact CG1-CB 3.74Å; V890-N895 WeakPolarHBondContact CG1-OD1 3.28Å; V890-T1006 HydrophobicContact CB-CG2 3.92Å; V890-T1006 HydrophobicContact CG2-CG2 4.17Å; V890-T1006 PolarHBondContact N-O 2.68Å; V890-R1008 HydrophobicContact CG2-CB 3.61Å | ||
| 891 | E | 73.3 | Confident | 69.5 | Low | 130 Ų | 130 | 78 Ų | 78 | 61% | 0.607 | 38% | 0.38 | S | S | * | . | trans | -71.9 | 148.8 | 175.4 | -65.7 | 177.7 | 174.7 | 0 | 0 | 109.9 | D893 E894 | E891-D893 PolarHBondContact O-N 3.47Å; E891-D893 VanDerWaalsContact O-N 3.15Å; E891-E894 PolarHBondContact O-N 3.46Å | ||
| 892 | K | 64 | Low | 67.3 | Low | 159 Ų | 159 | 83.2 Ų | 83.2 | 69% | 0.691 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -56.1 | -38.6 | -171.2 | -69.1 | 178.3 | 179.1 | 172.7 | 0 | 111.6 | E894 N895 | K892-E894 VanDerWaalsContact C-N 3.27Å; K892-E894 PolarHBondContact O-N 2.79Å; K892-N895 PolarHBondContact O-N 3.02Å |
| 893 | D | 59.1 | Low | 65.1 | Low | 118 Ų | 118 | 90.1 Ų | 90.1 | 63% | 0.631 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.6 | -12.4 | 178.8 | -59.9 | 29.2 | 0 | 0 | 0 | 115.3 | E891 K897 | E891-D893 PolarHBondContact O-N 3.47Å; E891-D893 VanDerWaalsContact O-N 3.15Å; D893-K897 PolarHBondContact O-NZ 3.23Å |
| 894 | E | 58.6 | Low | 62.9 | Low | 85 Ų | 85 | 92.9 Ų | 92.9 | 40% | 0.397 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -85.7 | -32.8 | 170.8 | -88.7 | -153.7 | 174.6 | 0 | 0 | 112.6 | V890 E891 K892 E896 K897 R1008 | V890-E894 HydrophobicContact CG1-CB 3.74Å; E891-E894 PolarHBondContact O-N 3.46Å; K892-E894 VanDerWaalsContact C-N 3.27Å; K892-E894 PolarHBondContact O-N 2.79Å; E894-E896 VanDerWaalsContact C-N 3.29Å; E894-E896 PolarHBondContact O-N 2.56Å; E894-K897 PolarHBondContact O-N 3.42Å; E894-R1008 IonicContact OE2-CZ 2.78Å; E894-R1008 IonicContact OE2-NH1 3.65Å; E894-R1008 PolarHBondContact OE2-NH1 3.21Å; E894-R1008 IonicContact OE2-NH2 2.73Å; E894-R1008 PolarHBondContact OE2-NH2 3.28Å |
| 895 | N | 52.6 | Low | 61 | Low | 53 Ų | 53 | 93.1 Ų | 93.1 | 28% | 0.283 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.2 | -37 | -171.1 | -87.4 | -21.2 | 0 | 0 | 0 | 112.6 | V890 K892 K897 | V890-N895 WeakPolarHBondContact CG1-OD1 3.28Å; K892-N895 PolarHBondContact O-N 3.02Å; N895-K897 VanDerWaalsContact C-N 3.27Å; N895-K897 PolarHBondContact O-N 3.05Å |
| 896 | E | 49.1 | Very low | 59.4 | Low | 172 Ų | 172 | 101.3 Ų | 101.3 | 80% | 0.804 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -12.1 | 178.8 | -61.7 | -173.2 | 155.9 | 0 | 0 | 113.8 | E894 | E894-E896 VanDerWaalsContact C-N 3.29Å; E894-E896 PolarHBondContact O-N 2.56Å |
| 897 | K | 49.5 | Very low | 58.2 | Low | 161 Ų | 161 | 104 Ų | 104 | 70% | 0.7 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -1.5 | -174.2 | -66.5 | 177.1 | -175.9 | 122 | 0 | 114.1 | D893 E894 N895 | D893-K897 PolarHBondContact O-NZ 3.23Å; E894-K897 PolarHBondContact O-N 3.42Å; N895-K897 VanDerWaalsContact C-N 3.27Å; N895-K897 PolarHBondContact O-N 3.05Å |
| 898 | C | 42.4 | Very low | 57.5 | Low | 44 Ų | 44 | 105 Ų | 105 | 30% | 0.297 | 52% | 0.519 | S | S | . | . | trans | -91.1 | -4.8 | -169.3 | -72.9 | 0 | 0 | 0 | 0 | 116.5 | V900 I904 | C898-V900 PolarHBondContact O-N 2.86Å; C898-I904 HydrophobicContact CB-CD1 4.17Å | ||
| 899 | E | 37.4 | Very low | 56.8 | Low | 186 Ų | 186 | 108.8 Ų | 108.8 | 87% | 0.869 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -73.1 | -11.7 | -162.7 | -65.9 | -158.4 | 128 | 0 | 0 | 117.3 | ||
| 900 | V | 40.6 | Very low | 56.4 | Low | 122 Ų | 122 | 107.9 Ų | 107.9 | 74% | 0.739 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -100.7 | -30.7 | -156 | -176.5 | 0 | 0 | 0 | 0 | 117 | C898 | C898-V900 PolarHBondContact O-N 2.86Š|
| 901 | N | 36.4 | Very low | 55.8 | Low | 152 Ų | 152 | 110.9 Ų | 110.9 | 81% | 0.813 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -153.6 | 19.2 | -162.4 | -110.2 | -43.5 | 0 | 0 | 0 | 120.6 | ||
| 902 | T | 42.6 | Very low | 55.6 | Low | 113 Ų | 113 | 105.9 Ų | 105.9 | 69% | 0.693 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -140.8 | 159.5 | 172.4 | 48.7 | 0 | 0 | 0 | 0 | 113.3 | I904 | T902-I904 PolarHBondContact O-N 2.8Š|
| 903 | R | 45.6 | Very low | 55.4 | Low | 204 Ų | 204 | 107 Ų | 107 | 77% | 0.77 | 52% | 0.521 | S | S | * | . | trans | -71.5 | 52.4 | -174.6 | -65.7 | -175 | 173.4 | -159 | 0 | 114.2 | K905 E1041 | R903-K905 PolarHBondContact O-N 2.84Å; R903-E1041 IonicContact NH1-OE2 2.73Å; R903-E1041 PolarHBondContact NH1-OE2 3.08Å | ||
| 904 | I | 44.8 | Very low | 55.4 | Low | 57 Ų | 57 | 106 Ų | 106 | 29% | 0.292 | 51% | 0.512 | S | S | . | . | trans | -81.7 | 110.7 | 177.5 | -58.3 | 170.6 | 0 | 0 | 0 | 108.5 | C898 T902 | C898-I904 HydrophobicContact CB-CD1 4.17Å; T902-I904 PolarHBondContact O-N 2.8Å | ||
| 905 | K | 52.9 | Low | 55 | Low | 96 Ų | 96 | 108.5 Ų | 108.5 | 42% | 0.417 | 52% | 0.524 | S | S | . | . | trans | -83.7 | 118 | 170.4 | -73.2 | 177.6 | -174.5 | 165.7 | 0 | 108.5 | R903 E1041 Y1055 | R903-K905 PolarHBondContact O-N 2.84Å; K905-E1041 IonicContact NZ-OE1 3.25Å; K905-E1041 PolarHBondContact NZ-OE1 3.46Å; K905-Y1055 HydrophobicContact CD-CE2 4.31Å | ||
| 906 | Q | 57.2 | Low | 54.9 | Low | 172 Ų | 172 | 110.9 Ų | 110.9 | 80% | 0.804 | 54% | 0.536 | S | S | * | . | trans | 28.2 | 117.9 | 159.1 | -66 | 170.9 | -29.9 | 0 | 0 | 118.2 | A908 Q1057 | Q906-A908 PolarHBondContact O-N 2.87Å; Q906-Q1057 PolarHBondContact O-NE2 2.84Å | ||
| 907 | C | 65.8 | Low | 54.8 | Low | 67 Ų | 67 | 105.4 Ų | 105.4 | 45% | 0.453 | 51% | 0.51 | S | S | . | . | trans | -58.3 | 127.5 | 167.4 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | N1058 I1060 | C907-N1058 HydrophobicContact CB-CB 4.31Å; C907-N1058 VanDerWaalsContact SG-CB 3.56Å; C907-I1060 HydrophobicContact CB-CD1 4.1Å | ||
| 908 | A | 75.6 | Confident | 54.2 | Low | 24 Ų | 24 | 101.6 Ų | 101.6 | 20% | 0.198 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 136.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q906 F1038 N1058 L1059 I1060 | Q906-A908 PolarHBondContact O-N 2.87Å; A908-F1038 HydrophobicContact CB-CE1 3.78Å; A908-F1038 HydrophobicContact CB-CZ 3.69Å; A908-N1058 PolarHBondContact N-O 3.44Å; A908-N1058 VanDerWaalsContact N-O 3.11Å; A908-L1059 HydrophobicContact CB-CD2 4Å; A908-L1059 WeakPolarHBondContact O-CA 3.34Å; A908-I1060 PolarHBondContact O-N 3.39Å |
| 909 | R | 76.7 | Confident | 54.2 | Low | 142 Ų | 142 | 108.5 Ų | 108.5 | 54% | 0.536 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 110.4 | 179.2 | -72.9 | 174.8 | 65.6 | 84.9 | 1.5 | 110.6 | E1004 I1060 | R909-E1004 IonicContact CZ-OE1 2.85Å; R909-E1004 VanDerWaalsContact CZ-OE1 3.25Å; R909-E1004 IonicContact CZ-OE2 3.34Å; R909-E1004 IonicContact NH1-OE1 2.79Å; R909-E1004 PolarHBondContact NH1-OE1 3Å; R909-E1004 IonicContact NH1-OE2 2.85Å; R909-E1004 PolarHBondContact NH1-OE2 3.35Å; R909-E1004 IonicContact NH2-OE1 3.78Å; R909-E1004 PolarHBondContact NH2-OE1 2.91Å; R909-E1004 IonicContact NH2-OE2 3.79Å; R909-I1060 CarbonylContact C-O 3.43Å; R909-I1060 WeakPolarHBondContact CA-O 2.98Å; R909-I1060 HydrophobicContact CG-CB 4.05Å; R909-I1060 HydrophobicContact CG-CD1 4.24Å; R909-I1060 HydrophobicContact CG-CG2 4.36Å |
| 910 | L | 77 | Confident | 54.2 | Low | 2 Ų | 2 | 105.9 Ų | 105.9 | 1% | 0.01 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 136.1 | 177.1 | -46.1 | 175.3 | 0 | 0 | 0 | 110.9 | F912 F1030 E1036 L1059 I1060 V1061 | L910-F912 HydrophobicContact CB-CE2 4.24Å; L910-F1030 HydrophobicContact CD1-CD2 4.03Å; L910-F1030 HydrophobicContact CD1-CE1 4.13Å; L910-F1030 HydrophobicContact CD1-CE2 3.56Å; L910-F1030 HydrophobicContact CD1-CZ 3.62Å; L910-E1036 WeakPolarHBondContact CD2-OE2 3.48Å; L910-L1059 HydrophobicContact CD1-CB 4.39Å; L910-L1059 HydrophobicContact CD1-CD1 4.27Å; L910-L1059 HydrophobicContact CD1-CD2 4.34Å; L910-I1060 PolarHBondContact N-O 3.02Å; L910-V1061 HydrophobicContact CB-CG2 3.99Å; L910-V1061 HydrophobicContact CD1-CG2 4.07Å; L910-V1061 HydrophobicContact CG-CG2 4.3Å |
| 911 | T | 70.9 | Confident | 53.8 | Low | 70 Ų | 70 | 107 Ų | 107 | 43% | 0.429 | 51% | 0.508 | S | S | . | . | trans | -125.8 | 118.1 | 179.4 | 27.9 | 0 | 0 | 0 | 0 | 111.5 | R1033 | T911-R1033 VanDerWaalsContact N-NH2 3.13Å; T911-R1033 PolarHBondContact O-NH2 3.06Å; T911-R1033 PolarHBondContact OG1-NH2 2.92Å | ||
| 912 | F | 69.4 | Low | 53.5 | Low | 24 Ų | 24 | 105.7 Ų | 105.7 | 11% | 0.105 | 51% | 0.506 | C | S | . | . | trans | -95.7 | 95.4 | -179.4 | -73.9 | -104.1 | 0 | 0 | 0 | 110.1 | L910 F1030 V1061 S1064 A1066 F1067 Y1070 | L910-F912 HydrophobicContact CB-CE2 4.24Å; F912-F1030 HydrophobicContact CZ-CD1 4.31Å; F912-V1061 HydrophobicContact CD2-CG1 3.66Å; F912-V1061 HydrophobicContact CE2-CG1 3.7Å; F912-S1064 PolarHBondContact O-OG 2.85Å; F912-A1066 HydrophobicContact CB-CB 4.06Å; F912-F1067 HydrophobicContact CB-CB 4.27Å; F912-F1067 HydrophobicContact CD1-CB 4.34Å; F912-F1067 HydrophobicContact CD2-CB 3.97Å; F912-F1067 AromaticContact CD2-CD2 3.91Å; F912-F1067 HydrophobicContact CD2-CD2 3.91Å; F912-F1067 HydrophobicContact CD2-CG 4.25Å; F912-F1067 HydrophobicContact CE1-CD2 4.26Å; F912-F1067 HydrophobicContact CE2-CB 4.43Å; F912-F1067 AromaticContact CE2-CD2 3.51Å; F912-F1067 HydrophobicContact CE2-CD2 3.51Å; F912-F1067 HydrophobicContact CE2-CE2 4.12Å; F912-F1067 HydrophobicContact CE2-CG 4.29Å; F912-F1067 HydrophobicContact CG-CB 3.94Å; F912-F1067 HydrophobicContact CG-CD2 4.47Å; F912-F1067 AromaticContact CZ-CD2 3.71Å; F912-F1067 HydrophobicContact CZ-CD2 3.71Å; F912-F1067 HydrophobicContact CZ-CE2 4.33Å; F912-Y1070 AromaticContact CE1-CD2 3.84Å; F912-Y1070 HydrophobicContact CE1-CD2 3.84Å; F912-Y1070 HydrophobicContact CE1-CE2 4.46Å; F912-Y1070 HydrophobicContact CE1-CG 4Å | ||
| 913 | R | 60.3 | Low | 52.9 | Low | 184 Ų | 184 | 105.9 Ų | 105.9 | 69% | 0.694 | 51% | 0.509 | S | S | * | . | trans | -67.5 | 133.8 | -179.3 | -62.8 | -172.9 | -174 | 178.5 | 4.8 | 112 | ||||
| 914 | E | 58.3 | Low | 52.1 | Low | 96 Ų | 96 | 103.7 Ų | 103.7 | 45% | 0.449 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -80.5 | -20.4 | -178.3 | -59.3 | -159.5 | 140.2 | 0 | 0 | 114.3 | N916 F917 S918 | E914-N916 PolarHBondContact O-N 3.08Å; E914-F917 WeakPolarHBondContact O-CA 3.38Å; E914-F917 WeakPolarHBondContact O-CB 3.4Å; E914-F917 PolarHBondContact O-N 3.12Å; E914-S918 PolarHBondContact O-N 3.45Å; E914-S918 VanDerWaalsContact O-N 3.17Å; E914-S918 PolarHBondContact O-OG 3.08Å |
| 915 | E | 50.1 | Low | 51.4 | Low | 138 Ų | 138 | 107 Ų | 107 | 65% | 0.645 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.7 | -33.9 | 179.9 | -60.2 | 179.3 | 128.4 | 0 | 0 | 113 | F917 | E915-F917 PolarHBondContact O-N 3.41Å |
| 916 | N | 49.8 | Very low | 50.4 | Low | 102 Ų | 102 | 109 Ų | 109 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72 | -9.1 | 174.9 | -70.7 | -1.9 | 0 | 0 | 0 | 112.9 | E914 R920 | E914-N916 PolarHBondContact O-N 3.08Å; N916-R920 PolarHBondContact O-NE 2.87Å |
| 917 | F | 46.9 | Very low | 49.2 | Very low | 57 Ų | 57 | 104.4 Ų | 104.4 | 25% | 0.25 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -97.3 | -44.1 | 179.5 | -142.9 | -91.4 | 0 | 0 | 0 | 111 | E914 E915 K919 R920 A1066 H1069 | E914-F917 WeakPolarHBondContact O-CA 3.38Å; E914-F917 WeakPolarHBondContact O-CB 3.4Å; E914-F917 PolarHBondContact O-N 3.12Å; E915-F917 PolarHBondContact O-N 3.41Å; F917-K919 PolarHBondContact O-N 2.88Å; F917-R920 PolarHBondContact O-N 3.01Å; F917-R920 VanDerWaalsContact O-N 3.13Å; F917-A1066 HydrophobicContact CD2-CB 3.84Å; F917-A1066 HydrophobicContact CE2-CB 4.25Å; F917-H1069 HydrophobicContact CE2-CB 3.92Å; F917-H1069 AromaticContact CE2-CG 3.85Å; F917-H1069 AromaticContact CE2-ND1 3.89Å; F917-H1069 HydrophobicContact CZ-CB 3.72Å; F917-H1069 AromaticContact CZ-CD2 3.76Å; F917-H1069 AromaticContact CZ-CG 3.52Å; F917-H1069 AromaticContact CZ-ND1 3.91Å |
| 918 | S | 37.8 | Very low | 47.7 | Very low | 82 Ų | 82 | 109.6 Ų | 109.6 | 57% | 0.573 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.9 | -34.9 | -177 | -52.2 | 0 | 0 | 0 | 0 | 113.9 | E914 R920 Q921 | E914-S918 PolarHBondContact O-N 3.45Å; E914-S918 VanDerWaalsContact O-N 3.17Å; E914-S918 PolarHBondContact O-OG 3.08Å; S918-R920 PolarHBondContact O-N 2.86Å; S918-Q921 PolarHBondContact O-N 3.29Å |
| 919 | K | 41.5 | Very low | 45.7 | Very low | 189 Ų | 189 | 115.3 Ų | 115.3 | 82% | 0.822 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -10.1 | 176.1 | -72.3 | -174.9 | 178.4 | 178.4 | 0 | 114.3 | F917 | F917-K919 PolarHBondContact O-N 2.88Š|
| 920 | R | 37.9 | Very low | 43.7 | Very low | 130 Ų | 130 | 110.4 Ų | 110.4 | 49% | 0.491 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.1 | 5.7 | -176.5 | -57.6 | 177.8 | -178.1 | 156.6 | 3.3 | 113.6 | N916 F917 S918 L934 | N916-R920 PolarHBondContact O-NE 2.87Å; F917-R920 PolarHBondContact O-N 3.01Å; F917-R920 VanDerWaalsContact O-N 3.13Å; S918-R920 PolarHBondContact O-N 2.86Å; R920-L934 VanDerWaalsContact CZ-CD2 3.45Å |
| 921 | Q | 32.5 | Very low | 41.8 | Very low | 147 Ų | 147 | 113.5 Ų | 113.5 | 69% | 0.687 | 57% | 0.566 | S | S | * | * | trans | -105.3 | 72.8 | -177.5 | -67.5 | -167.9 | -4.3 | 0 | 0 | 113.5 | S918 | S918-Q921 PolarHBondContact O-N 3.29Š| ||
| 922 | T | 29.3 | Very low | 40.3 | Very low | 124 Ų | 124 | 111.5 Ų | 111.5 | 76% | 0.761 | 56% | 0.555 | S | S | * | * | trans | -127.7 | 138.4 | 154.3 | 51.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 923 | P | 30.5 | Very low | 38.7 | Very low | 116 Ų | 116 | 111.6 Ų | 111.6 | 75% | 0.753 | 56% | 0.56 | S | S | * | * | trans | -119.8 | 134.8 | -136.1 | 36.4 | -24.3 | 0 | 0 | 0 | 115.8 | ||||
| 924 | K | 29.4 | Very low | 37.5 | Very low | 159 Ų | 159 | 104.6 Ų | 104.6 | 69% | 0.691 | 54% | 0.536 | S | S | * | . | S | Bend | trans | 164.1 | 149.3 | 137 | -88.3 | 158.9 | -176.5 | -173.1 | 0 | 110.1 | ||
| 925 | E | 30.4 | Very low | 36.7 | Very low | 127 Ų | 127 | 100.6 Ų | 100.6 | 59% | 0.593 | 52% | 0.519 | S | S | * | . | trans | 60.6 | 51.7 | 170.8 | -58.6 | -168.4 | 179.3 | 0 | 0 | 119.1 | T927 | E925-T927 PolarHBondContact O-N 2.87Š| ||
| 926 | V | 30.2 | Very low | 36.1 | Very low | 136 Ų | 136 | 95.2 Ų | 95.2 | 82% | 0.824 | 50% | 0.495 | S | S | * | . | trans | -70.6 | 92.8 | 158.9 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 927 | T | 32.4 | Very low | 35.4 | Very low | 77 Ų | 77 | 98.2 Ų | 98.2 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | trans | -82.8 | 152.3 | 170.7 | 46.8 | 0 | 0 | 0 | 0 | 111.2 | E925 H929 S930 | E925-T927 PolarHBondContact O-N 2.87Å; T927-H929 PolarHBondContact O-N 2.85Å; T927-S930 PolarHBondContact O-N 2.67Å; T927-S930 PolarHBondContact O-OG 2.76Å | ||
| 928 | E | 34.9 | Very low | 34.9 | Very low | 176 Ų | 176 | 101 Ų | 101 | 82% | 0.822 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 17.3 | -168.3 | -55.7 | -174.2 | 115.3 | 0 | 0 | 116.2 | ||
| 929 | H | 34.1 | Very low | 34.7 | Very low | 144 Ų | 144 | 100.1 Ų | 100.1 | 67% | 0.667 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.3 | -3.1 | -173.8 | -60.1 | -3.2 | 0 | 0 | 0 | 113 | T927 I931 | T927-H929 PolarHBondContact O-N 2.85Å; H929-I931 VanDerWaalsContact C-N 3.3Å; H929-I931 PolarHBondContact O-N 3.29Å |
| 930 | S | 33.7 | Very low | 34.2 | Very low | 39 Ų | 39 | 97 Ų | 97 | 27% | 0.273 | 50% | 0.503 | S | S | . | . | trans | -86 | 25.8 | -171.9 | 48.8 | 0 | 0 | 0 | 0 | 115.1 | T927 S932 | T927-S930 PolarHBondContact O-N 2.67Å; T927-S930 PolarHBondContact O-OG 2.76Å; S930-S932 PolarHBondContact O-N 3.03Å | ||
| 931 | I | 37.5 | Very low | 33.9 | Very low | 67 Ų | 67 | 95.7 Ų | 95.7 | 34% | 0.344 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -13.7 | -171.1 | -62 | 176.3 | 0 | 0 | 0 | 113.2 | H929 | H929-I931 VanDerWaalsContact C-N 3.3Å; H929-I931 PolarHBondContact O-N 3.29Å |
| 932 | S | 39.1 | Very low | 33.8 | Very low | 27 Ų | 27 | 93.8 Ų | 93.8 | 19% | 0.189 | 50% | 0.501 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -18.1 | -171 | 52.8 | 0 | 0 | 0 | 0 | 116.8 | P781 S930 L934 | P781-S932 WeakPolarHBondContact CD-OG 3.49Å; S930-S932 PolarHBondContact O-N 3.03Å; S932-L934 PolarHBondContact O-N 3.12Å |
| 933 | A | 37.2 | Very low | 33.9 | Very low | 26 Ų | 26 | 91.5 Ų | 91.5 | 22% | 0.215 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -76.9 | 21.3 | -159.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | R778 | R778-A933 WeakPolarHBondContact O-CB 3.41Š|
| 934 | L | 34.9 | Very low | 33.6 | Very low | 37 Ų | 37 | 94.1 Ų | 94.1 | 19% | 0.194 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -145 | 38.3 | -159.6 | -68.6 | 174.4 | 0 | 0 | 0 | 115.5 | R920 S932 L1031 Y1074 | R920-L934 VanDerWaalsContact CZ-CD2 3.45Å; S932-L934 PolarHBondContact O-N 3.12Å; L934-L1031 HydrophobicContact CB-CD2 4.35Å; L934-Y1074 HydrophobicContact CD1-CE1 4.23Å; L934-Y1074 HydrophobicContact CD1-CE2 4.31Å; L934-Y1074 WeakPolarHBondContact CD1-OH 3.13Å |
| 935 | S | 40.4 | Very low | 33.5 | Very low | 13 Ų | 13 | 93.2 Ų | 93.2 | 9% | 0.091 | 52% | 0.518 | C | S | . | . | trans | -122.8 | -19.6 | -168.6 | 127.5 | 0 | 0 | 0 | 0 | 117.6 | D758 R939 | D758-S935 PolarHBondContact OD1-OG 3.49Å; S935-R939 VanDerWaalsContact O-CD 3.22Å; S935-R939 WeakPolarHBondContact O-CD 3.29Å; S935-R939 PolarHBondContact O-NE 3.38Å; S935-R939 VanDerWaalsContact O-NE 3.16Å | ||
| 936 | L | 37.7 | Very low | 33.4 | Very low | 25 Ų | 25 | 90.6 Ų | 90.6 | 13% | 0.131 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -111.2 | -12.2 | -148.3 | -73.5 | 171.4 | 0 | 0 | 0 | 119.8 | D758 L764 L769 L775 | D758-L936 HydrophobicContact CB-CD1 4.19Å; D758-L936 WeakPolarHBondContact OD2-CD1 3.49Å; L764-L936 HydrophobicContact CB-CD2 4.29Å; L764-L936 WeakPolarHBondContact O-CD2 3.34Å; L769-L936 HydrophobicContact CD1-CB 3.99Å; L769-L936 HydrophobicContact CD1-CD1 4.13Å; L769-L936 HydrophobicContact CD1-CD2 4.23Å; L769-L936 HydrophobicContact CD1-CG 4.35Å; L769-L936 HydrophobicContact CD2-CD1 3.65Å; L769-L936 HydrophobicContact CD2-CD2 4.24Å; L769-L936 HydrophobicContact CD2-CG 4.48Å; L775-L936 HydrophobicContact CD1-CB 4.14Å; L775-L936 HydrophobicContact CD1-CD1 3.71Å; L775-L936 HydrophobicContact CD2-CD1 3.97Å; L775-L936 HydrophobicContact CG-CD1 4.36Å |
| 937 | Q | 35.6 | Very low | 33.2 | Very low | 164 Ų | 164 | 92.3 Ų | 92.3 | 77% | 0.766 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -86.4 | -25.8 | -174.4 | -87.3 | 174.9 | -25.8 | 0 | 0 | 115.2 | ||
| 938 | D | 36.6 | Very low | 32.8 | Very low | 116 Ų | 116 | 94.9 Ų | 94.9 | 62% | 0.62 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -121.6 | 25 | -167.8 | -50.7 | -59.8 | 0 | 0 | 0 | 114.1 | H1034 | D938-H1034 VanDerWaalsContact O-CB 3.28Å; D938-H1034 WeakPolarHBondContact O-CB 3.26Å; D938-H1034 PolarHBondContact O-CD2 2.99Å; D938-H1034 VanDerWaalsContact O-CD2 3.31Å |
| 939 | R | 33.3 | Very low | 32.4 | Very low | 64 Ų | 64 | 96.9 Ų | 96.9 | 24% | 0.242 | 54% | 0.541 | C | S | . | . | trans | -112.8 | 84.9 | -175.1 | -69.5 | -170.7 | -173 | 171.3 | 11.9 | 113.6 | S935 H1034 | S935-R939 VanDerWaalsContact O-CD 3.22Å; S935-R939 WeakPolarHBondContact O-CD 3.29Å; S935-R939 PolarHBondContact O-NE 3.38Å; S935-R939 VanDerWaalsContact O-NE 3.16Å; R939-H1034 WeakPolarHBondContact CG-CD2 3.21Å; R939-H1034 PolarHBondContact NE-CE1 2.73Å; R939-H1034 VanDerWaalsContact NE-CE1 3.31Å; R939-H1034 PolarHBondContact NE-NE2 2.87Å | ||
| 940 | V | 30.3 | Very low | 31.8 | Very low | 122 Ų | 122 | 95.7 Ų | 95.7 | 74% | 0.739 | 55% | 0.549 | S | S | * | . | trans | -130.5 | 103.4 | 174.1 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 941 | V | 31.9 | Very low | 31.5 | Very low | 104 Ų | 104 | 98.4 Ų | 98.4 | 63% | 0.63 | 57% | 0.573 | S | S | * | * | trans | -147.5 | 122.6 | 161.6 | -172.8 | 0 | 0 | 0 | 0 | 102.9 | ||||
| 942 | E | 30.2 | Very low | 31 | Very low | 106 Ų | 106 | 104.4 Ų | 104.4 | 50% | 0.495 | 60% | 0.598 | S | S | . | * | S | Bend | cis | -134.5 | 169.5 | 40.5 | -57 | 169.4 | 141.1 | 0 | 0 | 113.1 | ||
| 943 | G | 31.4 | Very low | 30.3 | Very low | 77 Ų | 77 | 110 Ų | 110 | 79% | 0.794 | 63% | 0.625 | S | S | * | * | trans | 96.9 | 66.5 | 148.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 944 | N | 24.4 | Very low | 30 | Very low | 171 Ų | 171 | 114 Ų | 114 | 91% | 0.914 | 65% | 0.647 | S | S | * | * | trans | -77.4 | 121.2 | 176.3 | -131.6 | 14.4 | 0 | 0 | 0 | 113.2 | ||||
| 945 | T | 27.5 | Very low | 29.7 | Very low | 139 Ų | 139 | 119.6 Ų | 119.6 | 85% | 0.853 | 68% | 0.677 | S | S | * | * | trans | -152.1 | 123.7 | 157.5 | 53.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 946 | G | 27.5 | Very low | 29.2 | Very low | 72 Ų | 72 | 124.7 Ų | 124.7 | 74% | 0.742 | 71% | 0.709 | S | S | * | * | trans | 83.2 | 75.2 | 143.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 947 | E | 25.7 | Very low | 28.5 | Very low | 172 Ų | 172 | 129.1 Ų | 129.1 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | 48.4 | 145.6 | 130.1 | -59.5 | -175 | -174.3 | 0 | 0 | 124 | ||||
| 948 | N | 24.7 | Very low | 28.2 | Very low | 131 Ų | 131 | 128.7 Ų | 128.7 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | 66.1 | 101.7 | 153.5 | -54.7 | -35.4 | 0 | 0 | 0 | 119.5 | ||||
| 949 | F | 26.1 | Very low | 27.7 | Very low | 219 Ų | 219 | 128.9 Ų | 128.9 | 96% | 0.961 | 75% | 0.749 | S | S | * | * | -162.9 | 127.3 | 112.7 | -113.7 | -72.7 | 0 | 0 | 0 | 111.9 | |||||
| 950 | S | 23.2 | Very low | 27.6 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -133.4 | 102.2 | -177 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 951 | A | 26.7 | Very low | 27.6 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | -175.9 | 132.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 952 | F | 26.4 | Very low | 27.4 | Very low | 194 Ų | 194 | 140.1 Ų | 140.1 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | -167.3 | 112.4 | 55.2 | -169 | -92.3 | 0 | 0 | 0 | 110.3 | |||||
| 953 | D | 25.6 | Very low | 27.2 | Very low | 144 Ų | 144 | 140 Ų | 140 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -69.7 | 156.6 | 164.4 | -80.2 | -68.9 | 0 | 0 | 0 | 111.1 | ||||
| 954 | T | 30.3 | Very low | 27.2 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | 169.3 | 96.6 | 123 | -70 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 955 | L | 27.8 | Very low | 27.4 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | 51.9 | 173.3 | 133.5 | -75.4 | 123.8 | 0 | 0 | 0 | 121.6 | ||||
| 956 | P | 29.6 | Very low | 27.5 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | cis | -124.9 | 173.4 | -5.7 | 19.4 | 5.1 | 0 | 0 | 0 | 116.2 | ||||
| 957 | C | 23 | Very low | 27.6 | Very low | 118 Ų | 118 | 145 Ų | 145 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -132.5 | 143.7 | 174.4 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 958 | L | 30.6 | Very low | 27.7 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | -159.7 | 158.8 | 173.6 | -72.3 | -179.2 | 0 | 0 | 0 | 110.3 | ||||
| 959 | T | 26.6 | Very low | 27.9 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | -158.5 | 146.3 | -50.2 | 16 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 960 | P | 30.3 | Very low | 28.1 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | trans | -105.7 | 157.8 | -162.5 | 39.3 | -35.7 | 0 | 0 | 0 | 117.1 | ||||
| 961 | K | 30.3 | Very low | 28.3 | Very low | 208 Ų | 208 | 144 Ų | 144 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | trans | -158 | 163.7 | 166.1 | -59.2 | -179.5 | -176.7 | 173.9 | 0 | 109.9 | ||||
| 962 | K | 27.6 | Very low | 28.3 | Very low | 194 Ų | 194 | 149 Ų | 149 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | cis | 171.5 | 116.3 | -47.4 | -123 | -166.5 | 176.4 | -175.6 | 0 | 108.2 | ||||
| 963 | S | 26.6 | Very low | 28.5 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 67.7 | 152.2 | 145.8 | 61.6 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 964 | K | 30.5 | Very low | 28.6 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | trans | 97.9 | 145.2 | 169 | -63.4 | -179 | 158.7 | -79.8 | 0 | 116.1 | ||||
| 965 | E | 28.9 | Very low | 28.5 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 72% | 0.715 | 80% | 0.796 | S | S | * | * | cis | -160.7 | 173.9 | -17.5 | -114.8 | 151.5 | -168 | 0 | 0 | 109.4 | ||||
| 966 | V | 28.7 | Very low | 28.4 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -146 | 132.8 | -163.4 | 169.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 967 | P | 31.3 | Very low | 28.3 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | -157.1 | 141.8 | 112.9 | 38.7 | -18.6 | 0 | 0 | 0 | 120 | |||||
| 968 | E | 26.3 | Very low | 28.4 | Very low | 164 Ų | 164 | 147.6 Ų | 147.6 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | 63.6 | 159.6 | 130.4 | -60.9 | -173.9 | 122.3 | 0 | 0 | 127 | ||||
| 969 | H | 28.9 | Very low | 28.2 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 78% | 0.778 | 80% | 0.802 | S | S | * | * | trans | 72.1 | 104.7 | 162 | -62.3 | -44.3 | 0 | 0 | 0 | 122.1 | ||||
| 970 | Q | 30.8 | Very low | 28.2 | Very low | 200 Ų | 200 | 147.1 Ų | 147.1 | 94% | 0.935 | 79% | 0.793 | S | S | * | * | -170.2 | 167.4 | 94.5 | -95.4 | -179.5 | 27.3 | 0 | 0 | 111.3 | |||||
| 971 | A | 26.8 | Very low | 28.2 | Very low | 89 Ų | 89 | 146.6 Ų | 146.6 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -152.8 | 166.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 972 | K | 28.2 | Very low | 28.2 | Very low | 200 Ų | 200 | 143.1 Ų | 143.1 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | trans | 75.7 | 142.9 | -178.9 | -50.3 | 171.4 | -179.5 | 175 | 0 | 112.2 | ||||
| 973 | L | 28.9 | Very low | 28.3 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | cis | -145.9 | 155.5 | 38.5 | -91.6 | 99.3 | 0 | 0 | 0 | 114.7 | ||||
| 974 | L | 29.5 | Very low | 28.5 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 90% | 0.895 | 75% | 0.746 | S | S | * | * | trans | 66.1 | 154.1 | 152.7 | -63.5 | 161.2 | 0 | 0 | 0 | 119.8 | ||||
| 975 | G | 26.8 | Very low | 28.6 | Very low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | 131.2 | 44.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | S977 | G975-S977 PolarHBondContact O-N 2.83Š| ||
| 976 | E | 25.9 | Very low | 28.6 | Very low | 193 Ų | 193 | 134.3 Ų | 134.3 | 90% | 0.902 | 74% | 0.736 | S | S | * | * | trans | -34.7 | 119.6 | 176 | -60.2 | 170.1 | 154.6 | 0 | 0 | 117.4 | ||||
| 977 | S | 27.4 | Very low | 28.6 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 89% | 0.888 | 73% | 0.729 | S | S | * | * | -175.6 | 136.9 | 127.2 | 33.1 | 0 | 0 | 0 | 0 | 112.9 | G975 | G975-S977 PolarHBondContact O-N 2.83Š| |||
| 978 | S | 25.2 | Very low | 28.7 | Very low | 97 Ų | 97 | 134.9 Ų | 134.9 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | trans | -109.6 | 171.4 | 180 | 56.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 979 | F | 26.9 | Very low | 28.9 | Very low | 199 Ų | 199 | 132.4 Ų | 132.4 | 87% | 0.873 | 72% | 0.722 | S | S | * | * | cis | -143.6 | 129.6 | 15.8 | -104.9 | -82.7 | 0 | 0 | 0 | 109.7 | ||||
| 980 | A | 26.4 | Very low | 28.9 | Very low | 67 Ų | 67 | 131.6 Ų | 131.6 | 55% | 0.554 | 72% | 0.718 | S | S | * | * | trans | -127.2 | 102.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K982 | A980-K982 VanDerWaalsContact C-N 3.3Å; A980-K982 PolarHBondContact O-N 2.78Å | ||
| 981 | N | 31 | Very low | 28.8 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 60% | 0.599 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 47.8 | -6.4 | 150.6 | -64.9 | -47 | 0 | 0 | 0 | 123.1 | S983 | N981-S983 PolarHBondContact O-N 3.09Š|
| 982 | K | 30.2 | Very low | 29 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 59% | 0.591 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -66.9 | -33.2 | -176.4 | -75.8 | -173.5 | 172.9 | -180 | 0 | 114.6 | E703 A980 L984 | E703-K982 IonicContact OE1-NZ 2.74Å; E703-K982 WeakPolarHBondContact OE2-CE 3.4Å; E703-K982 IonicContact OE2-NZ 3.24Å; E703-K982 PolarHBondContact OE2-NZ 3.48Å; A980-K982 VanDerWaalsContact C-N 3.3Å; A980-K982 PolarHBondContact O-N 2.78Å; K982-L984 VanDerWaalsContact C-N 3.33Å; K982-L984 PolarHBondContact O-N 2.98Å |
| 983 | S | 30.1 | Very low | 29.7 | Very low | 80 Ų | 80 | 130 Ų | 130 | 56% | 0.559 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -79.3 | 1.4 | -173.1 | 63.9 | 0 | 0 | 0 | 0 | 116.9 | N981 K987 | N981-S983 PolarHBondContact O-N 3.09Å; S983-K987 WeakPolarHBondContact O-CD 3.33Å; S983-K987 WeakPolarHBondContact O-CG 3.47Å |
| 984 | L | 30.4 | Very low | 30.6 | Very low | 101 Ų | 101 | 132 Ų | 132 | 53% | 0.529 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -98.6 | -34.1 | 176.9 | -147.2 | 160.5 | 0 | 0 | 0 | 111.6 | K982 K987 V988 | K982-L984 VanDerWaalsContact C-N 3.33Å; K982-L984 PolarHBondContact O-N 2.98Å; L984-K987 PolarHBondContact O-N 3Å; L984-V988 PolarHBondContact O-N 3.44Å |
| 985 | L | 31.3 | Very low | 31.9 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 70% | 0.696 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -69.6 | -42.1 | 178.2 | -158.9 | 68.2 | 0 | 0 | 0 | 111.2 | K987 V988 T989 | L985-K987 VanDerWaalsContact C-N 3.25Å; L985-K987 PolarHBondContact O-N 3.42Å; L985-V988 PolarHBondContact O-N 2.89Å; L985-V988 VanDerWaalsContact O-N 3.1Å; L985-T989 PolarHBondContact O-N 2.8Å; L985-T989 PolarHBondContact O-OG1 3.5Å |
| 986 | E | 30 | Very low | 33.7 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 54% | 0.542 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -60.4 | -33.3 | 175.1 | -65.8 | 175.5 | 144.1 | 0 | 0 | 112.5 | V988 T989 Q990 | E986-V988 VanDerWaalsContact C-N 3.3Å; E986-V988 PolarHBondContact O-N 3.02Å; E986-T989 WeakPolarHBondContact CA-OG1 3.33Å; E986-T989 PolarHBondContact O-N 2.87Å; E986-T989 PolarHBondContact O-OG1 3.43Å; E986-Q990 WeakPolarHBondContact O-CB 3.24Å; E986-Q990 WeakPolarHBondContact O-CG 3.43Å; E986-Q990 PolarHBondContact O-N 3.2Å |
| 987 | K | 29.1 | Very low | 35.6 | Very low | 154 Ų | 154 | 124.6 Ų | 124.6 | 67% | 0.67 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -75.8 | -12 | 177.5 | -75.1 | -174.3 | 177.7 | -172.8 | 0 | 114.7 | S983 L984 L985 | S983-K987 WeakPolarHBondContact O-CD 3.33Å; S983-K987 WeakPolarHBondContact O-CG 3.47Å; L984-K987 PolarHBondContact O-N 3Å; L985-K987 VanDerWaalsContact C-N 3.25Å; L985-K987 PolarHBondContact O-N 3.42Å |
| 988 | V | 32.1 | Very low | 37.9 | Very low | 102 Ų | 102 | 121.3 Ų | 121.3 | 62% | 0.618 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -95 | -33.1 | 172.4 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | L984 L985 E986 Q990 | L984-V988 PolarHBondContact O-N 3.44Å; L985-V988 PolarHBondContact O-N 2.89Å; L985-V988 VanDerWaalsContact O-N 3.1Å; E986-V988 VanDerWaalsContact C-N 3.3Å; E986-V988 PolarHBondContact O-N 3.02Å; V988-Q990 VanDerWaalsContact C-N 3.33Å; V988-Q990 PolarHBondContact O-N 2.83Å |
| 989 | T | 31.9 | Very low | 40.3 | Very low | 113 Ų | 113 | 116.7 Ų | 116.7 | 69% | 0.693 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -79.3 | -8.8 | 175.9 | 49.7 | 0 | 0 | 0 | 0 | 114.8 | L985 E986 | L985-T989 PolarHBondContact O-N 2.8Å; L985-T989 PolarHBondContact O-OG1 3.5Å; E986-T989 WeakPolarHBondContact CA-OG1 3.33Å; E986-T989 PolarHBondContact O-N 2.87Å; E986-T989 PolarHBondContact O-OG1 3.43Å |
| 990 | Q | 28.9 | Very low | 42.6 | Very low | 151 Ų | 151 | 112 Ų | 112 | 71% | 0.706 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 11.8 | 178.5 | -71.5 | -176.6 | -7.2 | 0 | 0 | 114.5 | E986 V988 N992 | E986-Q990 WeakPolarHBondContact O-CB 3.24Å; E986-Q990 WeakPolarHBondContact O-CG 3.43Å; E986-Q990 PolarHBondContact O-N 3.2Å; V988-Q990 VanDerWaalsContact C-N 3.33Å; V988-Q990 PolarHBondContact O-N 2.83Å; Q990-N992 VanDerWaalsContact C-N 3.35Å; Q990-N992 PolarHBondContact O-N 2.97Å |
| 991 | M | 28.9 | Very low | 44.9 | Very low | 138 Ų | 138 | 113 Ų | 113 | 68% | 0.68 | 56% | 0.558 | S | S | * | * | trans | -75.4 | 90.7 | 166.9 | -79.7 | -163.7 | 167.2 | 0 | 0 | 110.2 | Y993 | M991-Y993 PolarHBondContact O-N 2.88Š| ||
| 992 | N | 29.9 | Very low | 47.2 | Very low | 155 Ų | 155 | 110.6 Ų | 110.6 | 83% | 0.829 | 56% | 0.56 | S | S | * | * | trans | -56.1 | 102.7 | 160.5 | -74.7 | -11.2 | 0 | 0 | 0 | 108.4 | Q990 E994 | Q990-N992 VanDerWaalsContact C-N 3.35Å; Q990-N992 PolarHBondContact O-N 2.97Å; N992-E994 PolarHBondContact O-N 3.3Å; N992-E994 VanDerWaalsContact O-N 3.17Å | ||
| 993 | Y | 43.8 | Very low | 49.7 | Very low | 161 Ų | 161 | 108.3 Ų | 108.3 | 63% | 0.631 | 55% | 0.551 | S | S | * | * | trans | -71.7 | 102.8 | 161.1 | -82.6 | -97.3 | 0 | 0 | 0 | 107 | M991 F995 | M991-Y993 PolarHBondContact O-N 2.88Å; Y993-F995 PolarHBondContact O-N 3.38Å; Y993-F995 VanDerWaalsContact O-N 3.09Å | ||
| 994 | E | 48 | Very low | 52.2 | Low | 190 Ų | 190 | 108.8 Ų | 108.8 | 89% | 0.888 | 55% | 0.545 | S | S | * | . | trans | -59.1 | 113.7 | 162.1 | -70.3 | -175.2 | 133.1 | 0 | 0 | 107.7 | N992 | N992-E994 PolarHBondContact O-N 3.3Å; N992-E994 VanDerWaalsContact O-N 3.17Å | ||
| 995 | F | 56.7 | Low | 54.9 | Low | 85 Ų | 85 | 104.6 Ų | 104.6 | 37% | 0.373 | 52% | 0.523 | S | S | . | . | trans | -69.2 | 143.5 | 179.8 | -63.2 | -62 | 0 | 0 | 0 | 109.9 | Y993 L1068 | Y993-F995 PolarHBondContact O-N 3.38Å; Y993-F995 VanDerWaalsContact O-N 3.09Å; F995-L1068 HydrophobicContact CD1-CD1 4.23Å; F995-L1068 HydrophobicContact CD1-CD2 4.12Å; F995-L1068 HydrophobicContact CD2-CD1 4.24Å; F995-L1068 HydrophobicContact CE1-CB 4.46Å; F995-L1068 HydrophobicContact CE1-CD1 3.93Å; F995-L1068 HydrophobicContact CE1-CD2 4.21Å; F995-L1068 HydrophobicContact CE1-CG 4.43Å; F995-L1068 HydrophobicContact CE2-CD1 3.92Å; F995-L1068 HydrophobicContact CG-CD1 4.39Å; F995-L1068 HydrophobicContact CZ-CD1 3.77Å | ||
| 996 | P | 64.4 | Low | 57.6 | Low | 41 Ų | 41 | 99.1 Ų | 99.1 | 27% | 0.266 | 50% | 0.495 | S | S | . | . | trans | -52.2 | 148.7 | 174 | -22 | 29.4 | 0 | 0 | 0 | 111.7 | L861 H998 M999 | L861-P996 WeakPolarHBondContact O-CG 3.5Å; P996-H998 WeakPolarHBondContact CB-CE1 3.28Å; P996-H998 WeakPolarHBondContact CB-ND1 2.85Å; P996-H998 PolarHBondContact O-N 3Å; P996-M999 PolarHBondContact O-N 3.32Å | ||
| 997 | E | 65.1 | Low | 60.5 | Low | 159 Ų | 159 | 93.6 Ų | 93.6 | 74% | 0.743 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -25.6 | -176.6 | -64.5 | -161.9 | 105.8 | 0 | 0 | 114.2 | M999 K1000 | E997-M999 VanDerWaalsContact C-N 3.34Å; E997-K1000 VanDerWaalsContact O-CE 3.29Å; E997-K1000 WeakPolarHBondContact O-CE 3.29Å |
| 998 | H | 76.6 | Confident | 63.3 | Low | 57 Ų | 57 | 87.8 Ų | 87.8 | 26% | 0.264 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 8.2 | 177.1 | 71.4 | -87.9 | 0 | 0 | 0 | 114.7 | L860 I889 P996 | L860-H998 PolarHBondContact O-NE2 3.4Å; I889-H998 VanDerWaalsContact CD1-CD2 3.46Å; I889-H998 WeakPolarHBondContact CD1-CD2 3.11Å; P996-H998 WeakPolarHBondContact CB-CE1 3.28Å; P996-H998 WeakPolarHBondContact CB-ND1 2.85Å; P996-H998 PolarHBondContact O-N 3Å |
| 999 | M | 75.7 | Confident | 66.1 | Low | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 41% | 0.414 | C | S | . | . | trans | -138 | 47.7 | 177.9 | -78.9 | -170.7 | 167.1 | 0 | 0 | 112.2 | L860 L861 P996 E997 L1005 L1068 I1071 | L860-M999 HydrophobicContact CB-CE 3.52Å; L861-M999 HydrophobicContact CD2-SD 3.77Å; P996-M999 PolarHBondContact O-N 3.32Å; E997-M999 VanDerWaalsContact C-N 3.34Å; M999-L1005 HydrophobicContact CE-CD2 3.49Å; M999-L1005 VanDerWaalsContact CE-CD2 3.49Å; M999-L1005 HydrophobicContact CG-CD2 4.49Å; M999-L1068 HydrophobicContact CB-CD2 4.42Å; M999-L1068 HydrophobicContact SD-CD2 4.24Å; M999-I1071 HydrophobicContact CE-CD1 3.76Å; M999-I1071 HydrophobicContact SD-CD1 4.35Å | ||
| 1000 | K | 73.6 | Confident | 68.9 | Low | 101 Ų | 101 | 78.3 Ų | 78.3 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | trans | -71.1 | 137.8 | 170.6 | -67.5 | 164.2 | -174.1 | 162.9 | 0 | 110.3 | E997 G1002 E1003 V1063 | E997-K1000 VanDerWaalsContact O-CE 3.29Å; E997-K1000 WeakPolarHBondContact O-CE 3.29Å; K1000-G1002 PolarHBondContact O-N 2.77Å; K1000-E1003 HydrophobicContact CB-CG 4.19Å; K1000-E1003 WeakPolarHBondContact CD-OE1 3.44Å; K1000-E1003 PolarHBondContact O-N 2.94Å; K1000-V1063 WeakPolarHBondContact O-CB 3.36Å | ||
| 1001 | E | 75.7 | Confident | 71.8 | Confident | 88 Ų | 88 | 71.1 Ų | 71.1 | 41% | 0.411 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 129.3 | 175.1 | -67.4 | -175.1 | 177.1 | 0 | 0 | 110.3 | V1063 K1065 L1068 | E1001-V1063 WeakPolarHBondContact CA-O 3.27Å; E1001-K1065 VanDerWaalsContact CD-NZ 3.32Å; E1001-K1065 VanDerWaalsContact OE1-CE 3.22Å; E1001-K1065 WeakPolarHBondContact OE1-CE 3.23Å; E1001-K1065 WeakPolarHBondContact OE1-CG 3.26Å; E1001-K1065 IonicContact OE1-NZ 2.95Å; E1001-K1065 PolarHBondContact OE1-NZ 2.66Å; E1001-K1065 IonicContact OE2-NZ 3.91Å; E1001-K1065 PolarHBondContact OE2-NZ 2.63Å; E1001-L1068 HydrophobicContact CG-CD1 4.1Å |
| 1002 | G | 78.2 | Confident | 74.7 | Confident | 61 Ų | 61 | 66.5 Ų | 66.5 | 63% | 0.629 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.3 | -18.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | K1000 V1063 | K1000-G1002 PolarHBondContact O-N 2.77Å; G1002-V1063 PolarHBondContact N-O 3.21Å |
| 1003 | E | 83.1 | Confident | 77.6 | Confident | 88 Ų | 88 | 60.7 Ų | 60.7 | 41% | 0.411 | 30% | 0.298 | S | S | . | . | trans | -78.3 | 152.2 | 179.5 | -68.7 | -167.8 | -167.7 | 0 | 0 | 113.2 | K1000 T1062 V1063 | K1000-E1003 HydrophobicContact CB-CG 4.19Å; K1000-E1003 WeakPolarHBondContact CD-OE1 3.44Å; K1000-E1003 PolarHBondContact O-N 2.94Å; E1003-T1062 WeakPolarHBondContact O-CA 3.32Å; E1003-V1063 PolarHBondContact O-N 3.26Å | ||
| 1004 | E | 83.9 | Confident | 79.7 | Confident | 91 Ų | 91 | 53 Ų | 53 | 43% | 0.425 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 110.1 | 172.6 | -70.2 | -164.4 | -179.6 | 0 | 0 | 111.6 | R909 I1060 T1062 | R909-E1004 IonicContact CZ-OE1 2.85Å; R909-E1004 VanDerWaalsContact CZ-OE1 3.25Å; R909-E1004 IonicContact CZ-OE2 3.34Å; R909-E1004 IonicContact NH1-OE1 2.79Å; R909-E1004 PolarHBondContact NH1-OE1 3Å; R909-E1004 IonicContact NH1-OE2 2.85Å; R909-E1004 PolarHBondContact NH1-OE2 3.35Å; R909-E1004 IonicContact NH2-OE1 3.78Å; R909-E1004 PolarHBondContact NH2-OE1 2.91Å; R909-E1004 IonicContact NH2-OE2 3.79Å; E1004-I1060 HydrophobicContact CB-CG2 4.33Å; E1004-I1060 WeakPolarHBondContact OE2-CG2 3.28Å; E1004-T1062 HydrophobicContact CG-CG2 4.05Å |
| 1005 | L | 86.1 | Confident | 81.7 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 123.3 | 173.4 | 180 | 68.6 | 0 | 0 | 0 | 110.4 | I889 M999 V1061 V1063 F1067 | I889-L1005 HydrophobicContact CD1-CD1 3.94Å; I889-L1005 HydrophobicContact CG1-CD1 4.18Å; I889-L1005 HydrophobicContact CG2-CD1 3.9Å; M999-L1005 HydrophobicContact CE-CD2 3.49Å; M999-L1005 VanDerWaalsContact CE-CD2 3.49Å; M999-L1005 HydrophobicContact CG-CD2 4.49Å; L1005-V1061 PolarHBondContact N-O 2.81Å; L1005-V1061 PolarHBondContact O-N 2.72Å; L1005-V1063 HydrophobicContact CB-CG2 3.97Å; L1005-F1067 HydrophobicContact CD2-CE1 4.02Å; L1005-F1067 HydrophobicContact CD2-CZ 4.34Å |
| 1006 | T | 88.2 | Confident | 83 | Confident | 17 Ų | 17 | 47.5 Ų | 47.5 | 10% | 0.104 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 129 | 167.3 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | V890 L1059 I1060 | V890-T1006 HydrophobicContact CB-CG2 3.92Å; V890-T1006 HydrophobicContact CG2-CG2 4.17Å; V890-T1006 PolarHBondContact N-O 2.68Å; T1006-L1059 CarbonylContact C-O 3.54Å; T1006-L1059 WeakPolarHBondContact CA-O 3.26Å; T1006-I1060 HydrophobicContact CG2-CG1 4.17Å |
| 1007 | F | 89.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 148.1 | 169.9 | 70.1 | -91.9 | 0 | 0 | 0 | 112.1 | L857 L860 Q888 V1009 F1030 L1059 V1061 F1067 | L857-F1007 HydrophobicContact CD1-CZ 4.25Å; L857-F1007 HydrophobicContact CD2-CE2 4.3Å; L860-F1007 HydrophobicContact CD1-CB 4.32Å; L860-F1007 HydrophobicContact CD1-CD1 3.91Å; L860-F1007 HydrophobicContact CD1-CD2 4.11Å; L860-F1007 HydrophobicContact CD1-CE1 4.15Å; L860-F1007 HydrophobicContact CD1-CE2 4.35Å; L860-F1007 HydrophobicContact CD1-CG 3.88Å; L860-F1007 HydrophobicContact CD1-CZ 4.37Å; L860-F1007 HydrophobicContact CD2-CB 4.07Å; L860-F1007 HydrophobicContact CD2-CG 4.43Å; Q888-F1007 CarbonylContact O-C 3.55Å; Q888-F1007 VanDerWaalsContact O-CA 3.26Å; Q888-F1007 WeakPolarHBondContact O-CA 3.47Å; Q888-F1007 VanDerWaalsContact O-CB 3.28Å; Q888-F1007 WeakPolarHBondContact O-CB 3.16Å; F1007-V1009 HydrophobicContact CD2-CG2 4.03Å; F1007-V1009 HydrophobicContact CE2-CG2 3.84Å; F1007-F1030 HydrophobicContact CE2-CZ 4.47Å; F1007-F1030 HydrophobicContact CZ-CE1 4.31Å; F1007-F1030 HydrophobicContact CZ-CZ 4.02Å; F1007-L1059 HydrophobicContact CE1-CB 4.32Å; F1007-L1059 HydrophobicContact CE2-CB 4.26Å; F1007-L1059 HydrophobicContact CE2-CD1 3.77Å; F1007-L1059 HydrophobicContact CZ-CB 4.16Å; F1007-L1059 HydrophobicContact CZ-CD1 3.97Å; F1007-L1059 PolarHBondContact N-O 3.06Å; F1007-L1059 PolarHBondContact O-N 2.99Å; F1007-V1061 HydrophobicContact CD1-CG2 4.33Å; F1007-V1061 HydrophobicContact CE1-CG2 3.61Å; F1007-V1061 HydrophobicContact CZ-CG2 4.45Å; F1007-F1067 HydrophobicContact CE1-CE2 4.26Å; F1007-F1067 AromaticContact CE1-CZ 3.9Å; F1007-F1067 HydrophobicContact CE1-CZ 3.9Å |
| 1008 | R | 89.9 | Confident | 85 | Confident | 33 Ų | 33 | 39.9 Ų | 39.9 | 13% | 0.125 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.8 | -175.4 | -175.3 | 179.4 | -62.7 | 148 | 1 | 109.7 | V887 Q888 V890 E894 V1056 Q1057 N1058 | V887-R1008 WeakPolarHBondContact CA-O 3.2Å; Q888-R1008 HydrophobicContact CG-CB 4.01Å; Q888-R1008 PolarHBondContact N-O 2.83Å; Q888-R1008 VanDerWaalsContact N-O 3.17Å; Q888-R1008 PolarHBondContact O-N 2.71Å; V890-R1008 HydrophobicContact CG2-CB 3.61Å; E894-R1008 IonicContact OE2-CZ 2.78Å; E894-R1008 IonicContact OE2-NH1 3.65Å; E894-R1008 PolarHBondContact OE2-NH1 3.21Å; E894-R1008 IonicContact OE2-NH2 2.73Å; E894-R1008 PolarHBondContact OE2-NH2 3.28Å; R1008-V1056 HydrophobicContact CG-CG1 3.7Å; R1008-Q1057 WeakPolarHBondContact CA-O 3.39Å; R1008-N1058 WeakPolarHBondContact CG-OD1 3.34Å; R1008-N1058 PolarHBondContact NE-OD1 3.36Å; R1008-N1058 VanDerWaalsContact NE-OD1 3.1Å |
| 1009 | V | 90.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128.5 | 171.4 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | I885 G886 F1007 F1028 Q1057 L1059 I1076 F1078 | I885-V1009 HydrophobicContact CG2-CG1 4.04Å; G886-V1009 WeakPolarHBondContact O-CA 3.4Å; F1007-V1009 HydrophobicContact CD2-CG2 4.03Å; F1007-V1009 HydrophobicContact CE2-CG2 3.84Å; V1009-F1028 HydrophobicContact CG1-CE2 4.09Å; V1009-F1028 HydrophobicContact CG1-CZ 4.09Å; V1009-Q1057 PolarHBondContact N-O 3.2Å; V1009-Q1057 PolarHBondContact O-N 2.72Å; V1009-L1059 HydrophobicContact CG2-CD1 3.88Å; V1009-I1076 HydrophobicContact CG2-CD1 4.47Å; V1009-F1078 HydrophobicContact CG1-CE1 4.32Å; V1009-F1078 HydrophobicContact CG1-CZ 3.94Å |
| 1010 | S | 90.4 | Very high | 85.7 | Confident | 15 Ų | 15 | 45.2 Ų | 45.2 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 107.7 | -177.2 | -52.5 | 0 | 0 | 0 | 0 | 111.3 | I885 G886 L1012 Y1055 | I885-S1010 CarbonylContact C-O 3.49Å; I885-S1010 VanDerWaalsContact CA-O 3.26Å; I885-S1010 WeakPolarHBondContact CA-O 3.35Å; G886-S1010 PolarHBondContact N-O 2.94Å; G886-S1010 PolarHBondContact O-N 3.36Å; S1010-L1012 PolarHBondContact O-N 3.09Å; S1010-Y1055 CarbonylContact C-O 3.58Å; S1010-Y1055 VanDerWaalsContact CA-O 3.31Å; S1010-Y1055 WeakPolarHBondContact CA-O 3.3Å |
| 1011 | V | 90.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 100.9 | 174.9 | -171.8 | 0 | 0 | 0 | 0 | 108.3 | L883 F1028 T1040 F1053 Y1054 Y1055 F1078 | L883-V1011 HydrophobicContact CD1-CG1 4.05Å; V1011-F1028 HydrophobicContact CG2-CD1 4.15Å; V1011-F1028 HydrophobicContact CG2-CE1 4Å; V1011-T1040 HydrophobicContact CB-CG2 4.44Å; V1011-T1040 HydrophobicContact CG1-CG2 4.36Å; V1011-F1053 HydrophobicContact CG1-CB 4.11Å; V1011-F1053 HydrophobicContact CG1-CD2 3.81Å; V1011-F1053 HydrophobicContact CG1-CG 4.27Å; V1011-Y1054 PolarHBondContact O-N 2.65Å; V1011-Y1054 VanDerWaalsContact O-N 3.12Å; V1011-Y1055 PolarHBondContact N-O 2.84Å; V1011-Y1055 PolarHBondContact O-N 2.74Å; V1011-F1078 HydrophobicContact CG2-CD1 4.28Å; V1011-F1078 HydrophobicContact CG2-CE1 3.8Å |
| 1012 | L | 89.7 | Confident | 86.6 | Confident | 41 Ų | 41 | 39.9 Ų | 39.9 | 22% | 0.215 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -59.8 | -169.8 | -56.2 | 176.5 | 0 | 0 | 0 | 111.5 | V867 R884 S1010 F1053 Y1054 | V867-L1012 HydrophobicContact CG1-CD1 4Å; R884-L1012 HydrophobicContact CB-CB 4.2Å; R884-L1012 HydrophobicContact CB-CD1 4.45Å; R884-L1012 WeakPolarHBondContact O-CB 3.38Å; R884-L1012 PolarHBondContact O-N 2.9Å; S1010-L1012 PolarHBondContact O-N 3.09Å; L1012-F1053 PolarHBondContact O-N 2.69Å; L1012-Y1054 PolarHBondContact O-N 3.44Å |
| 1013 | Q | 89.8 | Confident | 87 | Confident | 33 Ų | 33 | 39.1 Ų | 39.1 | 15% | 0.154 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 146.6 | -171.3 | 57.1 | -179.1 | 116.5 | 0 | 0 | 112.8 | R884 L1051 | R884-Q1013 HydrophobicContact CB-CG 3.87Å; R884-Q1013 HydrophobicContact CG-CG 4.05Å; R884-Q1013 PolarHBondContact N-O 2.85Å; Q1013-L1051 CarbonylContact C-O 3.55Å; Q1013-L1051 WeakPolarHBondContact CA-O 3.12Å; Q1013-L1051 WeakPolarHBondContact CB-O 3.48Å |
| 1014 | A | 89 | Confident | 87.3 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 154.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I872 Y882 L883 V1017 L1051 F1053 | I872-A1014 HydrophobicContact CD1-CB 4.49Å; Y882-A1014 CarbonylContact O-C 3.49Å; Y882-A1014 WeakPolarHBondContact O-CA 3.41Å; L883-A1014 HydrophobicContact CD1-CB 4.06Å; A1014-V1017 HydrophobicContact CB-CG2 4.22Å; A1014-L1051 HydrophobicContact CB-CB 4.23Å; A1014-L1051 PolarHBondContact N-O 2.7Å; A1014-L1051 PolarHBondContact O-N 3.29Å; A1014-F1053 HydrophobicContact CB-CE2 3.83Å |
| 1015 | L | 88.4 | Confident | 87.6 | Confident | 38 Ų | 38 | 32.1 Ų | 32.1 | 20% | 0.199 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 127.6 | -172.1 | -71.8 | 169.8 | 0 | 0 | 0 | 110.8 | G881 Y882 R884 A1050 | G881-L1015 CarbonylContact C-O 3.51Å; G881-L1015 WeakPolarHBondContact CA-O 3.48Å; Y882-L1015 PolarHBondContact N-O 2.9Å; Y882-L1015 PolarHBondContact O-N 2.96Å; R884-L1015 HydrophobicContact CG-CD1 4.38Å; L1015-A1050 HydrophobicContact CD2-CB 3.66Å |
| 1016 | K | 85.3 | Confident | 87.9 | Confident | 121 Ų | 121 | 31.5 Ų | 31.5 | 53% | 0.526 | 16% | 0.159 | S | C | . | . | S | Bend | trans | 61.3 | 42.6 | 174.6 | -52.3 | -174.8 | 173.9 | -168.4 | 0 | 115.2 | Q880 | Q880-K1016 VanDerWaalsContact O-O 3.1Š|
| 1017 | V | 86.1 | Confident | 87.9 | Confident | 10 Ų | 10 | 31.7 Ų | 31.7 | 6% | 0.061 | 16% | 0.158 | C | C | . | . | trans | -78.5 | 140.5 | 170.1 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | V850 I872 A1014 L1024 L1051 | V850-V1017 HydrophobicContact CG1-CG1 3.93Å; I872-V1017 HydrophobicContact CD1-CG2 4.15Å; A1014-V1017 HydrophobicContact CB-CG2 4.22Å; V1017-L1024 HydrophobicContact CB-CD1 4Å; V1017-L1024 HydrophobicContact CG1-CD1 3.64Å; V1017-L1024 HydrophobicContact CG1-CD2 3.82Å; V1017-L1024 HydrophobicContact CG1-CG 4.43Å; V1017-L1024 HydrophobicContact CG2-CD1 4.45Å; V1017-L1051 HydrophobicContact CB-CD1 4.32Å; V1017-L1051 HydrophobicContact CG2-CD1 4.37Å | ||
| 1018 | P | 84.9 | Confident | 87.9 | Confident | 30 Ų | 30 | 31.7 Ų | 31.7 | 20% | 0.195 | 16% | 0.158 | C | C | . | . | trans | -62.2 | 145.5 | -178.3 | -21.6 | 33.2 | 0 | 0 | 0 | 112.9 | Q880 E1020 Y1021 N1045 | Q880-P1018 WeakPolarHBondContact O-CD 3.39Å; P1018-E1020 PolarHBondContact O-N 2.86Å; P1018-Y1021 HydrophobicContact CB-CD2 4.1Å; P1018-Y1021 HydrophobicContact CB-CE2 4.34Å; P1018-Y1021 HydrophobicContact CG-CD2 4.33Å; P1018-Y1021 HydrophobicContact CG-CE2 4.33Å; P1018-Y1021 PolarHBondContact O-N 3.12Å; P1018-N1045 PolarHBondContact O-ND2 2.86Å | ||
| 1019 | V | 84.5 | Confident | 87.5 | Confident | 84 Ų | 84 | 31 Ų | 31 | 51% | 0.509 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -15.8 | -177.5 | -65.9 | 0 | 0 | 0 | 0 | 114.4 | Y1021 G1047 | V1019-Y1021 PolarHBondContact O-N 3.44Å; V1019-G1047 VanDerWaalsContact CG1-CA 3.43Å |
| 1020 | E | 82.1 | Confident | 86.9 | Confident | 84 Ų | 84 | 31.2 Ų | 31.2 | 39% | 0.393 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.4 | 173.9 | -64.5 | 148.6 | -123.2 | 0 | 0 | 113 | P1018 F1084 Q1085 | P1018-E1020 PolarHBondContact O-N 2.86Å; E1020-F1084 HydrophobicContact CB-CD2 4.08Å; E1020-F1084 HydrophobicContact CB-CE2 3.78Å; E1020-F1084 HydrophobicContact CG-CE2 4.42Å; E1020-F1084 CarbonylContact O-C 3.56Å; E1020-F1084 WeakPolarHBondContact O-CA 3.44Å; E1020-Q1085 PolarHBondContact O-N 2.93Å |
| 1021 | Y | 84.6 | Confident | 85.5 | Confident | 35 Ų | 35 | 30.7 Ų | 30.7 | 14% | 0.137 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 109.9 | 175.9 | -57.9 | -85.4 | 0 | 0 | 0 | 110.2 | R848 V850 P1018 V1019 N1045 H1083 F1084 | R848-Y1021 HydrophobicContact CB-CE1 4.05Å; V850-Y1021 HydrophobicContact CG2-CD1 3.7Å; V850-Y1021 HydrophobicContact CG2-CD2 4.23Å; V850-Y1021 HydrophobicContact CG2-CE1 4.11Å; V850-Y1021 HydrophobicContact CG2-CG 3.77Å; P1018-Y1021 HydrophobicContact CB-CD2 4.1Å; P1018-Y1021 HydrophobicContact CB-CE2 4.34Å; P1018-Y1021 HydrophobicContact CG-CD2 4.33Å; P1018-Y1021 HydrophobicContact CG-CE2 4.33Å; P1018-Y1021 PolarHBondContact O-N 3.12Å; V1019-Y1021 PolarHBondContact O-N 3.44Å; Y1021-N1045 WeakPolarHBondContact O-CB 3.37Å; Y1021-N1045 PolarHBondContact O-ND2 3.01Å; Y1021-H1083 WeakPolarHBondContact CA-O 3.41Å; Y1021-F1084 HydrophobicContact CD1-CB 4.35Å; Y1021-F1084 HydrophobicContact CD1-CD2 4.21Å; Y1021-F1084 HydrophobicContact CE1-CB 4.26Å; Y1021-F1084 AromaticContact CE1-CD2 3.77Å; Y1021-F1084 HydrophobicContact CE1-CD2 3.77Å; Y1021-F1084 HydrophobicContact CE1-CG 4.47Å; Y1021-F1084 HydrophobicContact CE2-CD2 4.47Å; Y1021-F1084 AromaticContact CZ-CD2 3.9Å |
| 1022 | I | 84.4 | Confident | 83.9 | Confident | 43 Ų | 43 | 34.6 Ų | 34.6 | 22% | 0.221 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 170.7 | 171 | 63.1 | 172.3 | 0 | 0 | 0 | 110.6 | L1024 G1082 H1083 Q1085 | I1022-L1024 PolarHBondContact O-N 2.97Å; I1022-G1082 CarbonylContact O-C 3.58Å; I1022-G1082 WeakPolarHBondContact O-CA 2.98Å; I1022-H1083 HydrophobicContact CG1-CB 3.95Å; I1022-H1083 WeakPolarHBondContact CG1-O 3.08Å; I1022-H1083 PolarHBondContact N-O 3.28Å; I1022-H1083 PolarHBondContact O-N 2.77Å; I1022-Q1085 HydrophobicContact CD1-CB 4.45Å |
| 1023 | D | 86.8 | Confident | 82.5 | Confident | 44 Ų | 44 | 34.5 Ų | 34.5 | 24% | 0.235 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 43 | 60 | 176.7 | -65 | -40.6 | 0 | 0 | 0 | 114 | K1044 | D1023-K1044 WeakPolarHBondContact OD1-CE 3.4Å; D1023-K1044 WeakPolarHBondContact OD1-CG 3.49Å |
| 1024 | L | 88.9 | Confident | 81 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 130.6 | -173.1 | -73 | 160.2 | 0 | 0 | 0 | 111.9 | V850 V1017 I1022 P1042 V1043 N1045 L1051 F1053 V1080 F1081 | V850-L1024 HydrophobicContact CG2-CD2 3.79Å; V1017-L1024 HydrophobicContact CB-CD1 4Å; V1017-L1024 HydrophobicContact CG1-CD1 3.64Å; V1017-L1024 HydrophobicContact CG1-CD2 3.82Å; V1017-L1024 HydrophobicContact CG1-CG 4.43Å; V1017-L1024 HydrophobicContact CG2-CD1 4.45Å; I1022-L1024 PolarHBondContact O-N 2.97Å; L1024-P1042 CarbonylContact O-C 3.6Å; L1024-P1042 WeakPolarHBondContact O-CA 3.25Å; L1024-V1043 PolarHBondContact N-O 3.01Å; L1024-V1043 PolarHBondContact O-N 3.39Å; L1024-N1045 HydrophobicContact CD1-CB 3.82Å; L1024-L1051 HydrophobicContact CD1-CD1 3.38Å; L1024-F1053 WeakPolarHBondContact O-CE1 3.48Å; L1024-V1080 HydrophobicContact CD2-CG1 4.29Å; L1024-F1081 CarbonylContact C-O 3.48Å; L1024-F1081 VanDerWaalsContact CA-O 3.27Å; L1024-F1081 WeakPolarHBondContact CA-O 3.47Å; L1024-F1081 WeakPolarHBondContact CD2-O 3.2Å |
| 1025 | F | 90.8 | Very high | 79.5 | Confident | 32 Ų | 32 | 41 Ų | 41 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 163.1 | 169.9 | 68 | -90.2 | 0 | 0 | 0 | 111.7 | F847 P1042 V1080 F1081 | F847-F1025 HydrophobicContact CD1-CD1 4.35Å; F847-F1025 AromaticContact CD1-CE1 3.76Å; F847-F1025 HydrophobicContact CD1-CE1 3.76Å; F847-F1025 HydrophobicContact CE1-CD1 4.32Å; F847-F1025 HydrophobicContact CE1-CE1 4.02Å; F847-F1025 HydrophobicContact CG-CE1 4.19Å; F1025-P1042 HydrophobicContact CB-CB 4.26Å; F1025-V1080 WeakPolarHBondContact O-CA 3.3Å; F1025-F1081 HydrophobicContact CD1-CB 4.01Å; F1025-F1081 HydrophobicContact CD2-CB 4.25Å; F1025-F1081 HydrophobicContact CD2-CD2 4.29Å; F1025-F1081 HydrophobicContact CE1-CB 3.54Å; F1025-F1081 HydrophobicContact CE1-CG 4.35Å; F1025-F1081 HydrophobicContact CE2-CB 3.8Å; F1025-F1081 AromaticContact CE2-CD2 3.61Å; F1025-F1081 HydrophobicContact CE2-CD2 3.61Å; F1025-F1081 HydrophobicContact CE2-CE2 4.43Å; F1025-F1081 AromaticContact CE2-CG 3.91Å; F1025-F1081 HydrophobicContact CE2-CG 3.91Å; F1025-F1081 HydrophobicContact CG-CB 4.35Å; F1025-F1081 HydrophobicContact CZ-CB 3.42Å; F1025-F1081 VanDerWaalsContact CZ-CB 3.42Å; F1025-F1081 HydrophobicContact CZ-CD1 4.49Å; F1025-F1081 AromaticContact CZ-CD2 3.93Å; F1025-F1081 HydrophobicContact CZ-CD2 3.93Å; F1025-F1081 AromaticContact CZ-CG 3.73Å; F1025-F1081 HydrophobicContact CZ-CG 3.73Å; F1025-F1081 PolarHBondContact N-O 3.26Å; F1025-F1081 PolarHBondContact O-N 3.47Å |
| 1026 | C | 91.1 | Very high | 78.5 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 128.2 | 177 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | S1039 T1040 F1053 E1079 V1080 | C1026-S1039 WeakPolarHBondContact O-CA 3.34Å; C1026-T1040 HydrophobicContact CB-CG2 4.14Å; C1026-T1040 PolarHBondContact N-OG1 3.24Å; C1026-T1040 WeakPolarHBondContact O-CG2 3.38Å; C1026-T1040 PolarHBondContact O-N 2.74Å; C1026-F1053 HydrophobicContact CB-CE2 4Å; C1026-F1053 HydrophobicContact CB-CZ 4.05Å; C1026-E1079 CarbonylContact C-O 3.51Å; C1026-E1079 VanDerWaalsContact CA-O 3.29Å; C1026-E1079 WeakPolarHBondContact CA-O 3.08Å; C1026-E1079 PolarHBondContact SG-O 3.25Å; C1026-V1080 HydrophobicContact CB-CG2 4.29Å |
| 1027 | Q | 89.2 | Confident | 77.9 | Confident | 20 Ų | 20 | 39.2 Ų | 39.2 | 9% | 0.093 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 146.7 | 175.7 | -177.9 | 175.6 | -32.9 | 0 | 0 | 109.4 | A1037 F1038 F1078 E1079 F1081 | Q1027-A1037 HydrophobicContact CG-CB 4.15Å; Q1027-F1038 CarbonylContact C-O 3.5Å; Q1027-F1038 VanDerWaalsContact CA-O 3.28Å; Q1027-F1038 WeakPolarHBondContact CA-O 3.36Å; Q1027-F1078 CarbonylContact O-C 3.45Å; Q1027-F1078 WeakPolarHBondContact O-CA 3.39Å; Q1027-E1079 PolarHBondContact N-O 3.42Å; Q1027-E1079 PolarHBondContact O-N 3.43Å; Q1027-F1081 HydrophobicContact CB-CE2 4.41Å |
| 1028 | F | 89 | Confident | 77.8 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 136.1 | 173.8 | 68.9 | -88.8 | 0 | 0 | 0 | 114.2 | V1009 V1011 F1038 Y1055 Q1057 I1076 I1077 F1078 | V1009-F1028 HydrophobicContact CG1-CE2 4.09Å; V1009-F1028 HydrophobicContact CG1-CZ 4.09Å; V1011-F1028 HydrophobicContact CG2-CD1 4.15Å; V1011-F1028 HydrophobicContact CG2-CE1 4Å; F1028-F1038 HydrophobicContact CD1-CB 3.9Å; F1028-F1038 WeakPolarHBondContact CD1-O 3.2Å; F1028-F1038 HydrophobicContact CD2-CB 4.14Å; F1028-F1038 HydrophobicContact CD2-CD2 4.18Å; F1028-F1038 HydrophobicContact CE1-CB 3.5Å; F1028-F1038 VanDerWaalsContact CE1-CB 3.5Å; F1028-F1038 HydrophobicContact CE1-CG 4.44Å; F1028-F1038 HydrophobicContact CE2-CB 3.76Å; F1028-F1038 AromaticContact CE2-CD2 3.78Å; F1028-F1038 HydrophobicContact CE2-CD2 3.78Å; F1028-F1038 AromaticContact CE2-CG 3.92Å; F1028-F1038 HydrophobicContact CE2-CG 3.92Å; F1028-F1038 HydrophobicContact CG-CB 4.21Å; F1028-F1038 HydrophobicContact CZ-CB 3.42Å; F1028-F1038 VanDerWaalsContact CZ-CB 3.42Å; F1028-F1038 HydrophobicContact CZ-CD2 4.23Å; F1028-F1038 AromaticContact CZ-CG 3.88Å; F1028-F1038 HydrophobicContact CZ-CG 3.88Å; F1028-F1038 PolarHBondContact N-O 2.67Å; F1028-F1038 PolarHBondContact O-N 2.69Å; F1028-Y1055 HydrophobicContact CE1-CD1 4.03Å; F1028-Y1055 AromaticContact CE1-CE1 3.86Å; F1028-Y1055 HydrophobicContact CE1-CE1 3.86Å; F1028-Y1055 HydrophobicContact CZ-CE1 4.17Å; F1028-Q1057 HydrophobicContact CZ-CB 3.99Å; F1028-Q1057 HydrophobicContact CZ-CG 4.23Å; F1028-I1076 HydrophobicContact CB-CG2 4.23Å; F1028-I1076 HydrophobicContact CD2-CG2 4.1Å; F1028-I1077 WeakPolarHBondContact CA-O 3.17Å; F1028-I1077 VanDerWaalsContact CB-O 3.31Å; F1028-I1077 WeakPolarHBondContact CB-O 3.14Å; F1028-F1078 HydrophobicContact CB-CB 4.44Å; F1028-F1078 HydrophobicContact CB-CD1 3.38Å; F1028-F1078 HydrophobicContact CB-CD2 4.32Å; F1028-F1078 HydrophobicContact CB-CE1 3.47Å; F1028-F1078 VanDerWaalsContact CB-CE1 3.47Å; F1028-F1078 HydrophobicContact CB-CE2 4.4Å; F1028-F1078 HydrophobicContact CB-CG 3.82Å; F1028-F1078 HydrophobicContact CB-CZ 3.99Å; F1028-F1078 HydrophobicContact CD1-CD1 4.04Å; F1028-F1078 AromaticContact CD1-CE1 3.64Å; F1028-F1078 HydrophobicContact CD1-CE1 3.64Å; F1028-F1078 HydrophobicContact CD2-CE1 4.02Å; F1028-F1078 HydrophobicContact CD2-CZ 4.11Å; F1028-F1078 HydrophobicContact CE1-CE1 4.34Å; F1028-F1078 AromaticContact CG-CD1 3.86Å; F1028-F1078 HydrophobicContact CG-CD1 3.86Å; F1028-F1078 AromaticContact CG-CE1 3.44Å; F1028-F1078 HydrophobicContact CG-CE1 3.44Å; F1028-F1078 VanDerWaalsContact CG-CE1 3.44Å; F1028-F1078 AromaticContact CG-CZ 3.97Å; F1028-F1078 HydrophobicContact CG-CZ 3.97Å |
| 1029 | N | 80.8 | Confident | 77.8 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 10% | 0.102 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 155.2 | -171.1 | -66.8 | 21.1 | 0 | 0 | 0 | 110.2 | H1034 A1037 I1077 | N1029-H1034 PolarHBondContact ND2-O 2.9Å; N1029-A1037 WeakPolarHBondContact OD1-CA 3.32Å; N1029-A1037 VanDerWaalsContact OD1-CB 3.32Å; N1029-A1037 WeakPolarHBondContact OD1-CB 3.45Å; N1029-I1077 PolarHBondContact N-O 2.94Å; N1029-I1077 VanDerWaalsContact N-O 3.09Å; N1029-I1077 PolarHBondContact O-N 3.5Å |
| 1030 | F | 77.6 | Confident | 77.9 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 1% | 0.013 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 152.6 | 169.2 | -72.9 | -101.8 | 0 | 0 | 0 | 110.1 | L857 L910 F912 F1007 H1032 R1033 H1034 L1059 Y1070 I1076 | L857-F1030 HydrophobicContact CD1-CE1 4.04Å; L910-F1030 HydrophobicContact CD1-CD2 4.03Å; L910-F1030 HydrophobicContact CD1-CE1 4.13Å; L910-F1030 HydrophobicContact CD1-CE2 3.56Å; L910-F1030 HydrophobicContact CD1-CZ 3.62Å; F912-F1030 HydrophobicContact CZ-CD1 4.31Å; F1007-F1030 HydrophobicContact CE2-CZ 4.47Å; F1007-F1030 HydrophobicContact CZ-CE1 4.31Å; F1007-F1030 HydrophobicContact CZ-CZ 4.02Å; F1030-H1032 PolarHBondContact O-N 3.01Å; F1030-R1033 HydrophobicContact CB-CB 4.31Å; F1030-R1033 PolarHBondContact N-O 3.03Å; F1030-R1033 CarbonylContact O-C 3.37Å; F1030-R1033 PolarHBondContact O-N 3.47Å; F1030-R1033 VanDerWaalsContact O-N 3.14Å; F1030-H1034 PolarHBondContact O-CE1 2.77Å; F1030-H1034 PolarHBondContact O-ND1 2.83Å; F1030-H1034 VanDerWaalsContact O-ND1 3.11Å; F1030-L1059 HydrophobicContact CE2-CD1 3.75Å; F1030-L1059 HydrophobicContact CZ-CD1 3.63Å; F1030-Y1070 AromaticContact CD1-CE1 3.94Å; F1030-Y1070 HydrophobicContact CD1-CE1 3.94Å; F1030-Y1070 AromaticContact CD1-CZ 3.82Å; F1030-Y1070 HydrophobicContact CE1-CE1 4.46Å; F1030-I1076 HydrophobicContact CD1-CD1 4.49Å; F1030-I1076 HydrophobicContact CD1-CG1 4.12Å; F1030-I1076 HydrophobicContact CE1-CD1 3.68Å; F1030-I1076 HydrophobicContact CE1-CG1 3.73Å; F1030-I1076 HydrophobicContact CE2-CD1 4.12Å; F1030-I1076 HydrophobicContact CZ-CD1 3.43Å; F1030-I1076 VanDerWaalsContact CZ-CD1 3.43Å; F1030-I1076 HydrophobicContact CZ-CG1 3.95Å |
| 1031 | L | 62.3 | Low | 78 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -13.3 | -173.6 | -148.2 | 86.6 | 0 | 0 | 0 | 114.8 | M760 L934 H1034 Y1070 Y1074 I1077 | M760-L1031 HydrophobicContact CE-CD1 3.66Å; M760-L1031 HydrophobicContact SD-CD1 3.84Å; L934-L1031 HydrophobicContact CB-CD2 4.35Å; L1031-H1034 VanDerWaalsContact C-CE1 3.49Å; L1031-H1034 PolarHBondContact O-CE1 2.79Å; L1031-H1034 PolarHBondContact O-NE2 3.24Å; L1031-Y1070 HydrophobicContact CB-CE2 3.63Å; L1031-Y1070 PolarHBondContact N-OH 3.27Å; L1031-Y1074 HydrophobicContact CD2-CD1 3.78Å; L1031-Y1074 HydrophobicContact CD2-CD2 4.44Å; L1031-Y1074 HydrophobicContact CD2-CE1 4.27Å; L1031-Y1074 HydrophobicContact CD2-CG 3.92Å; L1031-I1077 HydrophobicContact CD1-CD1 3.85Å; L1031-I1077 HydrophobicContact CD1-CG1 4.34Å |
| 1032 | H | 56.7 | Low | 78 | Confident | 81 Ų | 81 | 39.9 Ų | 39.9 | 38% | 0.375 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | 16.9 | -177.6 | -53 | -32.3 | 0 | 0 | 0 | 112.6 | F1030 | F1030-H1032 PolarHBondContact O-N 3.01Š|
| 1033 | R | 60.2 | Low | 78.1 | Confident | 39 Ų | 39 | 39.6 Ų | 39.6 | 15% | 0.147 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 108.4 | 176.2 | -68.1 | -176.8 | 161.2 | -123.5 | -19.3 | 108.1 | T911 F1030 E1036 | T911-R1033 VanDerWaalsContact N-NH2 3.13Å; T911-R1033 PolarHBondContact O-NH2 3.06Å; T911-R1033 PolarHBondContact OG1-NH2 2.92Å; F1030-R1033 HydrophobicContact CB-CB 4.31Å; F1030-R1033 PolarHBondContact N-O 3.03Å; F1030-R1033 CarbonylContact O-C 3.37Å; F1030-R1033 PolarHBondContact O-N 3.47Å; F1030-R1033 VanDerWaalsContact O-N 3.14Å; R1033-E1036 WeakPolarHBondContact CD-OE2 3.49Å; R1033-E1036 IonicContact CZ-OE1 2.75Å; R1033-E1036 IonicContact CZ-OE2 3.64Å; R1033-E1036 IonicContact NE-OE2 2.85Å; R1033-E1036 IonicContact NH1-OE1 2.72Å; R1033-E1036 PolarHBondContact NH1-OE1 3.12Å; R1033-E1036 IonicContact NH1-OE2 3.18Å; R1033-E1036 PolarHBondContact NH1-OE2 3.3Å |
| 1034 | H | 57.3 | Low | 78 | Confident | 21 Ų | 21 | 44.9 Ų | 44.9 | 10% | 0.097 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | -32.7 | -173.6 | -60.8 | -27.2 | 0 | 0 | 0 | 111.5 | D938 R939 N1029 F1030 L1031 E1036 | D938-H1034 VanDerWaalsContact O-CB 3.28Å; D938-H1034 WeakPolarHBondContact O-CB 3.26Å; D938-H1034 PolarHBondContact O-CD2 2.99Å; D938-H1034 VanDerWaalsContact O-CD2 3.31Å; R939-H1034 WeakPolarHBondContact CG-CD2 3.21Å; R939-H1034 PolarHBondContact NE-CE1 2.73Å; R939-H1034 VanDerWaalsContact NE-CE1 3.31Å; R939-H1034 PolarHBondContact NE-NE2 2.87Å; N1029-H1034 PolarHBondContact ND2-O 2.9Å; F1030-H1034 PolarHBondContact O-CE1 2.77Å; F1030-H1034 PolarHBondContact O-ND1 2.83Å; F1030-H1034 VanDerWaalsContact O-ND1 3.11Å; L1031-H1034 VanDerWaalsContact C-CE1 3.49Å; L1031-H1034 PolarHBondContact O-CE1 2.79Å; L1031-H1034 PolarHBondContact O-NE2 3.24Å; H1034-E1036 PolarHBondContact O-N 2.89Å |
| 1035 | D | 58.9 | Low | 77.8 | Confident | 151 Ų | 151 | 46 Ų | 46 | 81% | 0.807 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -58 | -32.7 | 169 | -8.7 | -42.4 | 0 | 0 | 0 | 112.6 | A1037 | D1035-A1037 PolarHBondContact O-N 3.11Å |
| 1036 | E | 66.3 | Low | 77 | Confident | 75 Ų | 75 | 47.8 Ų | 47.8 | 35% | 0.35 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 64.9 | 176.5 | -66.9 | 178.6 | -179.2 | 0 | 0 | 111.6 | L910 R1033 H1034 | L910-E1036 WeakPolarHBondContact CD2-OE2 3.48Å; R1033-E1036 WeakPolarHBondContact CD-OE2 3.49Å; R1033-E1036 IonicContact CZ-OE1 2.75Å; R1033-E1036 IonicContact CZ-OE2 3.64Å; R1033-E1036 IonicContact NE-OE2 2.85Å; R1033-E1036 IonicContact NH1-OE1 2.72Å; R1033-E1036 PolarHBondContact NH1-OE1 3.12Å; R1033-E1036 IonicContact NH1-OE2 3.18Å; R1033-E1036 PolarHBondContact NH1-OE2 3.3Å; H1034-E1036 PolarHBondContact O-N 2.89Å |
| 1037 | A | 73.5 | Confident | 75.9 | Confident | 45 Ų | 45 | 49.8 Ų | 49.8 | 37% | 0.372 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 123.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1027 N1029 D1035 | Q1027-A1037 HydrophobicContact CG-CB 4.15Å; N1029-A1037 WeakPolarHBondContact OD1-CA 3.32Å; N1029-A1037 VanDerWaalsContact OD1-CB 3.32Å; N1029-A1037 WeakPolarHBondContact OD1-CB 3.45Å; D1035-A1037 PolarHBondContact O-N 3.11Å |
| 1038 | F | 84 | Confident | 74.7 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 122 | 175 | -59 | -83.7 | 0 | 0 | 0 | 110.1 | A908 Q1027 F1028 Y1055 Q1057 L1059 | A908-F1038 HydrophobicContact CB-CE1 3.78Å; A908-F1038 HydrophobicContact CB-CZ 3.69Å; Q1027-F1038 CarbonylContact C-O 3.5Å; Q1027-F1038 VanDerWaalsContact CA-O 3.28Å; Q1027-F1038 WeakPolarHBondContact CA-O 3.36Å; F1028-F1038 HydrophobicContact CD1-CB 3.9Å; F1028-F1038 WeakPolarHBondContact CD1-O 3.2Å; F1028-F1038 HydrophobicContact CD2-CB 4.14Å; F1028-F1038 HydrophobicContact CD2-CD2 4.18Å; F1028-F1038 HydrophobicContact CE1-CB 3.5Å; F1028-F1038 VanDerWaalsContact CE1-CB 3.5Å; F1028-F1038 HydrophobicContact CE1-CG 4.44Å; F1028-F1038 HydrophobicContact CE2-CB 3.76Å; F1028-F1038 AromaticContact CE2-CD2 3.78Å; F1028-F1038 HydrophobicContact CE2-CD2 3.78Å; F1028-F1038 AromaticContact CE2-CG 3.92Å; F1028-F1038 HydrophobicContact CE2-CG 3.92Å; F1028-F1038 HydrophobicContact CG-CB 4.21Å; F1028-F1038 HydrophobicContact CZ-CB 3.42Å; F1028-F1038 VanDerWaalsContact CZ-CB 3.42Å; F1028-F1038 HydrophobicContact CZ-CD2 4.23Å; F1028-F1038 AromaticContact CZ-CG 3.88Å; F1028-F1038 HydrophobicContact CZ-CG 3.88Å; F1028-F1038 PolarHBondContact N-O 2.67Å; F1028-F1038 PolarHBondContact O-N 2.69Å; F1038-Y1055 HydrophobicContact CB-CE1 4.48Å; F1038-Q1057 HydrophobicContact CD1-CG 3.73Å; F1038-Q1057 VanDerWaalsContact CD1-OE1 3.28Å; F1038-Q1057 VanDerWaalsContact CE1-CD 3.49Å; F1038-Q1057 HydrophobicContact CE1-CG 3.84Å; F1038-Q1057 HydrophobicContact CG-CG 4.29Å; F1038-Q1057 HydrophobicContact CZ-CG 4.48Å; F1038-L1059 HydrophobicContact CE1-CD2 4.18Å; F1038-L1059 HydrophobicContact CE2-CD2 4.04Å; F1038-L1059 HydrophobicContact CZ-CD2 3.64Å |
| 1039 | S | 84.8 | Confident | 73.6 | Confident | 47 Ų | 47 | 65.3 Ų | 65.3 | 33% | 0.329 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.6 | -176.2 | -165.5 | 0 | 0 | 0 | 0 | 113.3 | C1026 | C1026-S1039 WeakPolarHBondContact O-CA 3.34Å |
| 1040 | T | 86.7 | Confident | 73.4 | Confident | 9 Ų | 9 | 66.4 Ų | 66.4 | 6% | 0.055 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 158.6 | 175.1 | 70 | 0 | 0 | 0 | 0 | 111.9 | V1011 C1026 F1053 Y1055 | V1011-T1040 HydrophobicContact CB-CG2 4.44Å; V1011-T1040 HydrophobicContact CG1-CG2 4.36Å; C1026-T1040 HydrophobicContact CB-CG2 4.14Å; C1026-T1040 PolarHBondContact N-OG1 3.24Å; C1026-T1040 WeakPolarHBondContact O-CG2 3.38Å; C1026-T1040 PolarHBondContact O-N 2.74Å; T1040-F1053 HydrophobicContact CG2-CB 4.14Å; T1040-F1053 HydrophobicContact CG2-CD1 4.04Å; T1040-F1053 HydrophobicContact CG2-CG 4.1Å; T1040-F1053 WeakPolarHBondContact OG1-CD1 3.45Å; T1040-F1053 WeakPolarHBondContact OG1-CE1 3.43Å; T1040-Y1055 HydrophobicContact CG2-CG 4.14Å |
| 1041 | E | 83.8 | Confident | 73.6 | Confident | 94 Ų | 94 | 66.7 Ų | 66.7 | 44% | 0.439 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 145.6 | 161.1 | -76.8 | 154.4 | -145.3 | 0 | 0 | 110 | R903 K905 | R903-E1041 IonicContact NH1-OE2 2.73Å; R903-E1041 PolarHBondContact NH1-OE2 3.08Å; K905-E1041 IonicContact NZ-OE1 3.25Å; K905-E1041 PolarHBondContact NZ-OE1 3.46Å |
| 1042 | P | 85.4 | Confident | 74.6 | Confident | 83 Ų | 83 | 69 Ų | 69 | 54% | 0.539 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 143.7 | -178.8 | 28.3 | -34.1 | 0 | 0 | 0 | 112.5 | L1024 F1025 | L1024-P1042 CarbonylContact O-C 3.6Å; L1024-P1042 WeakPolarHBondContact O-CA 3.25Å; F1025-P1042 HydrophobicContact CB-CB 4.26Å |
| 1043 | V | 86 | Confident | 75.9 | Confident | 37 Ų | 37 | 66.2 Ų | 66.2 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -125.8 | 128.5 | -172.9 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | L1024 L1051 F1053 | L1024-V1043 PolarHBondContact N-O 3.01Å; L1024-V1043 PolarHBondContact O-N 3.39Å; V1043-L1051 HydrophobicContact CG1-CB 4.42Å; V1043-L1051 HydrophobicContact CG1-CD2 4.31Å; V1043-F1053 HydrophobicContact CB-CD1 4.49Å; V1043-F1053 HydrophobicContact CB-CE1 4.21Å; V1043-F1053 HydrophobicContact CG2-CD1 3.62Å; V1043-F1053 HydrophobicContact CG2-CE1 3.78Å |
| 1044 | K | 85 | Confident | 76.9 | Confident | 156 Ų | 156 | 72.4 Ų | 72.4 | 68% | 0.678 | 39% | 0.387 | S | S | * | . | trans | -69.5 | 130.7 | -178 | -81 | -177.4 | 177.2 | -169.4 | 0 | 112.9 | D1023 S1046 L1051 | D1023-K1044 WeakPolarHBondContact OD1-CE 3.4Å; D1023-K1044 WeakPolarHBondContact OD1-CG 3.49Å; K1044-S1046 PolarHBondContact O-N 2.74Å; K1044-L1051 WeakPolarHBondContact O-CD2 3.28Å | ||
| 1045 | N | 83.6 | Confident | 78.3 | Confident | 24 Ų | 24 | 72.7 Ų | 72.7 | 13% | 0.128 | 39% | 0.388 | C | S | . | . | trans | -84.9 | 107.4 | 178.7 | -166.3 | -2.9 | 0 | 0 | 0 | 111.8 | P1018 Y1021 L1024 G1047 | P1018-N1045 PolarHBondContact O-ND2 2.86Å; Y1021-N1045 WeakPolarHBondContact O-CB 3.37Å; Y1021-N1045 PolarHBondContact O-ND2 3.01Å; L1024-N1045 HydrophobicContact CD1-CB 3.82Å; N1045-G1047 PolarHBondContact OD1-N 2.74Å | ||
| 1046 | S | 74.7 | Confident | 79.6 | Confident | 69 Ų | 69 | 67.3 Ų | 67.3 | 48% | 0.483 | 36% | 0.36 | S | S | . | . | trans | -90 | -2.5 | 175.6 | 66.5 | 0 | 0 | 0 | 0 | 114 | K1044 K1048 | K1044-S1046 PolarHBondContact O-N 2.74Å; S1046-K1048 PolarHBondContact O-N 3.24Å | ||
| 1047 | G | 68.9 | Low | 80.5 | Confident | 43 Ų | 43 | 64 Ų | 64 | 44% | 0.443 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 68.5 | -10.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | V1019 N1045 | V1019-G1047 VanDerWaalsContact CG1-CA 3.43Å; N1045-G1047 PolarHBondContact OD1-N 2.74Å |
| 1048 | K | 64 | Low | 81.2 | Confident | 195 Ų | 195 | 62.1 Ų | 62.1 | 85% | 0.848 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -108.5 | -23 | -174.1 | -69.8 | 178.8 | -179.8 | 173.7 | 0 | 114.4 | S1046 | S1046-K1048 PolarHBondContact O-N 3.24Š|
| 1049 | E | 64.8 | Low | 81.3 | Confident | 151 Ų | 151 | 61 Ų | 61 | 71% | 0.706 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -123.8 | 179.9 | -164.4 | -62.6 | -172.5 | 157.4 | 0 | 0 | 113.7 | ||
| 1050 | A | 76.2 | Confident | 81.5 | Confident | 42 Ų | 42 | 60 Ų | 60 | 35% | 0.347 | 31% | 0.314 | S | S | . | . | trans | -86.5 | 126.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110 | L1015 S1052 | L1015-A1050 HydrophobicContact CD2-CB 3.66Å; A1050-S1052 PolarHBondContact O-N 3.48Å | ||
| 1051 | L | 81.8 | Confident | 81.4 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 98.7 | -176.1 | -59.5 | 169.6 | 0 | 0 | 0 | 108.9 | Q1013 A1014 V1017 L1024 V1043 K1044 | Q1013-L1051 CarbonylContact C-O 3.55Å; Q1013-L1051 WeakPolarHBondContact CA-O 3.12Å; Q1013-L1051 WeakPolarHBondContact CB-O 3.48Å; A1014-L1051 HydrophobicContact CB-CB 4.23Å; A1014-L1051 PolarHBondContact N-O 2.7Å; A1014-L1051 PolarHBondContact O-N 3.29Å; V1017-L1051 HydrophobicContact CB-CD1 4.32Å; V1017-L1051 HydrophobicContact CG2-CD1 4.37Å; L1024-L1051 HydrophobicContact CD1-CD1 3.38Å; V1043-L1051 HydrophobicContact CG1-CB 4.42Å; V1043-L1051 HydrophobicContact CG1-CD2 4.31Å; K1044-L1051 WeakPolarHBondContact O-CD2 3.28Å |
| 1052 | S | 83.9 | Confident | 81.5 | Confident | 52 Ų | 52 | 57.1 Ų | 57.1 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 119.6 | -174.7 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | A1050 | A1050-S1052 PolarHBondContact O-N 3.48Å |
| 1053 | F | 83.8 | Confident | 81.4 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 10% | 0.101 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -38 | 176.8 | -72.8 | -59.8 | 0 | 0 | 0 | 112.5 | L883 V1011 L1012 A1014 L1024 C1026 T1040 V1043 Y1055 | L883-F1053 HydrophobicContact CD1-CD2 4.16Å; L883-F1053 HydrophobicContact CD1-CE2 3.98Å; V1011-F1053 HydrophobicContact CG1-CB 4.11Å; V1011-F1053 HydrophobicContact CG1-CD2 3.81Å; V1011-F1053 HydrophobicContact CG1-CG 4.27Å; L1012-F1053 PolarHBondContact O-N 2.69Å; A1014-F1053 HydrophobicContact CB-CE2 3.83Å; L1024-F1053 WeakPolarHBondContact O-CE1 3.48Å; C1026-F1053 HydrophobicContact CB-CE2 4Å; C1026-F1053 HydrophobicContact CB-CZ 4.05Å; T1040-F1053 HydrophobicContact CG2-CB 4.14Å; T1040-F1053 HydrophobicContact CG2-CD1 4.04Å; T1040-F1053 HydrophobicContact CG2-CG 4.1Å; T1040-F1053 WeakPolarHBondContact OG1-CD1 3.45Å; T1040-F1053 WeakPolarHBondContact OG1-CE1 3.43Å; V1043-F1053 HydrophobicContact CB-CD1 4.49Å; V1043-F1053 HydrophobicContact CB-CE1 4.21Å; V1043-F1053 HydrophobicContact CG2-CD1 3.62Å; V1043-F1053 HydrophobicContact CG2-CE1 3.78Å; F1053-Y1055 PolarHBondContact O-N 2.71Å |
| 1054 | Y | 81.3 | Confident | 81.2 | Confident | 169 Ų | 169 | 52.3 Ų | 52.3 | 66% | 0.663 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 45.5 | 30.8 | -177.2 | -72.5 | -67.9 | 0 | 0 | 0 | 115.8 | V1011 L1012 | V1011-Y1054 PolarHBondContact O-N 2.65Å; V1011-Y1054 VanDerWaalsContact O-N 3.12Å; L1012-Y1054 PolarHBondContact O-N 3.44Å |
| 1055 | Y | 86.6 | Confident | 80.8 | Confident | 28 Ų | 28 | 50 Ų | 50 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 132.7 | 178.2 | -174.5 | -95.9 | 0 | 0 | 0 | 110.4 | K905 S1010 V1011 F1028 F1038 T1040 F1053 Q1057 | K905-Y1055 HydrophobicContact CD-CE2 4.31Å; S1010-Y1055 CarbonylContact C-O 3.58Å; S1010-Y1055 VanDerWaalsContact CA-O 3.31Å; S1010-Y1055 WeakPolarHBondContact CA-O 3.3Å; V1011-Y1055 PolarHBondContact N-O 2.84Å; V1011-Y1055 PolarHBondContact O-N 2.74Å; F1028-Y1055 HydrophobicContact CE1-CD1 4.03Å; F1028-Y1055 AromaticContact CE1-CE1 3.86Å; F1028-Y1055 HydrophobicContact CE1-CE1 3.86Å; F1028-Y1055 HydrophobicContact CZ-CE1 4.17Å; F1038-Y1055 HydrophobicContact CB-CE1 4.48Å; T1040-Y1055 HydrophobicContact CG2-CG 4.14Å; F1053-Y1055 PolarHBondContact O-N 2.71Å; Y1055-Q1057 HydrophobicContact CE1-CB 3.93Å; Y1055-Q1057 PolarHBondContact OH-OE1 2.87Å; Y1055-Q1057 VanDerWaalsContact OH-OE1 3.08Å |
| 1056 | V | 86.1 | Confident | 80.3 | Confident | 37 Ų | 37 | 49.4 Ų | 49.4 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 125.5 | -177.9 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | R1008 | R1008-V1056 HydrophobicContact CG-CG1 3.7Å |
| 1057 | Q | 86.5 | Confident | 80.7 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 2% | 0.023 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 119.1 | -178 | -174.7 | 59.3 | 61.6 | 0 | 0 | 109.6 | Q906 R1008 V1009 F1028 F1038 Y1055 L1059 | Q906-Q1057 PolarHBondContact O-NE2 2.84Å; R1008-Q1057 WeakPolarHBondContact CA-O 3.39Å; V1009-Q1057 PolarHBondContact N-O 3.2Å; V1009-Q1057 PolarHBondContact O-N 2.72Å; F1028-Q1057 HydrophobicContact CZ-CB 3.99Å; F1028-Q1057 HydrophobicContact CZ-CG 4.23Å; F1038-Q1057 HydrophobicContact CD1-CG 3.73Å; F1038-Q1057 VanDerWaalsContact CD1-OE1 3.28Å; F1038-Q1057 VanDerWaalsContact CE1-CD 3.49Å; F1038-Q1057 HydrophobicContact CE1-CG 3.84Å; F1038-Q1057 HydrophobicContact CG-CG 4.29Å; F1038-Q1057 HydrophobicContact CZ-CG 4.48Å; Y1055-Q1057 HydrophobicContact CE1-CB 3.93Å; Y1055-Q1057 PolarHBondContact OH-OE1 2.87Å; Y1055-Q1057 VanDerWaalsContact OH-OE1 3.08Å; Q1057-L1059 HydrophobicContact CG-CD2 3.68Å; Q1057-L1059 HydrophobicContact CG-CG 4.07Å |
| 1058 | N | 87 | Confident | 81.3 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 136 | 166.8 | -70.5 | -19 | 0 | 0 | 0 | 108.8 | C907 A908 R1008 | C907-N1058 HydrophobicContact CB-CB 4.31Å; C907-N1058 VanDerWaalsContact SG-CB 3.56Å; A908-N1058 PolarHBondContact N-O 3.44Å; A908-N1058 VanDerWaalsContact N-O 3.11Å; R1008-N1058 WeakPolarHBondContact CG-OD1 3.34Å; R1008-N1058 PolarHBondContact NE-OD1 3.36Å; R1008-N1058 VanDerWaalsContact NE-OD1 3.1Å |
| 1059 | L | 87.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.3 | -179 | -61.3 | 176.2 | 0 | 0 | 0 | 109.1 | A908 L910 T1006 F1007 V1009 F1030 F1038 Q1057 | A908-L1059 HydrophobicContact CB-CD2 4Å; A908-L1059 WeakPolarHBondContact O-CA 3.34Å; L910-L1059 HydrophobicContact CD1-CB 4.39Å; L910-L1059 HydrophobicContact CD1-CD1 4.27Å; L910-L1059 HydrophobicContact CD1-CD2 4.34Å; T1006-L1059 CarbonylContact C-O 3.54Å; T1006-L1059 WeakPolarHBondContact CA-O 3.26Å; F1007-L1059 HydrophobicContact CE1-CB 4.32Å; F1007-L1059 HydrophobicContact CE2-CB 4.26Å; F1007-L1059 HydrophobicContact CE2-CD1 3.77Å; F1007-L1059 HydrophobicContact CZ-CB 4.16Å; F1007-L1059 HydrophobicContact CZ-CD1 3.97Å; F1007-L1059 PolarHBondContact N-O 3.06Å; F1007-L1059 PolarHBondContact O-N 2.99Å; V1009-L1059 HydrophobicContact CG2-CD1 3.88Å; F1030-L1059 HydrophobicContact CE2-CD1 3.75Å; F1030-L1059 HydrophobicContact CZ-CD1 3.63Å; F1038-L1059 HydrophobicContact CE1-CD2 4.18Å; F1038-L1059 HydrophobicContact CE2-CD2 4.04Å; F1038-L1059 HydrophobicContact CZ-CD2 3.64Å; Q1057-L1059 HydrophobicContact CG-CD2 3.68Å; Q1057-L1059 HydrophobicContact CG-CG 4.07Å |
| 1060 | I | 87.2 | Confident | 82.5 | Confident | 26 Ų | 26 | 31 Ų | 31 | 13% | 0.133 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 125.9 | -179.3 | -55.6 | 172.9 | 0 | 0 | 0 | 107.7 | C907 A908 R909 L910 E1004 T1006 | C907-I1060 HydrophobicContact CB-CD1 4.1Å; A908-I1060 PolarHBondContact O-N 3.39Å; R909-I1060 CarbonylContact C-O 3.43Å; R909-I1060 WeakPolarHBondContact CA-O 2.98Å; R909-I1060 HydrophobicContact CG-CB 4.05Å; R909-I1060 HydrophobicContact CG-CD1 4.24Å; R909-I1060 HydrophobicContact CG-CG2 4.36Å; L910-I1060 PolarHBondContact N-O 3.02Å; E1004-I1060 HydrophobicContact CB-CG2 4.33Å; E1004-I1060 WeakPolarHBondContact OE2-CG2 3.28Å; T1006-I1060 HydrophobicContact CG2-CG1 4.17Å |
| 1061 | V | 86.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 126.5 | -174.4 | -166.3 | 0 | 0 | 0 | 0 | 111.1 | L910 F912 L1005 F1007 V1063 F1067 | L910-V1061 HydrophobicContact CB-CG2 3.99Å; L910-V1061 HydrophobicContact CD1-CG2 4.07Å; L910-V1061 HydrophobicContact CG-CG2 4.3Å; F912-V1061 HydrophobicContact CD2-CG1 3.66Å; F912-V1061 HydrophobicContact CE2-CG1 3.7Å; L1005-V1061 PolarHBondContact N-O 2.81Å; L1005-V1061 PolarHBondContact O-N 2.72Å; F1007-V1061 HydrophobicContact CD1-CG2 4.33Å; F1007-V1061 HydrophobicContact CE1-CG2 3.61Å; F1007-V1061 HydrophobicContact CZ-CG2 4.45Å; V1061-V1063 PolarHBondContact O-N 3.22Å; V1061-F1067 HydrophobicContact CB-CE1 4.26Å; V1061-F1067 HydrophobicContact CB-CE2 4.35Å; V1061-F1067 HydrophobicContact CB-CZ 4.09Å; V1061-F1067 HydrophobicContact CG1-CD1 4.04Å; V1061-F1067 HydrophobicContact CG1-CD2 3.83Å; V1061-F1067 HydrophobicContact CG1-CE1 4.09Å; V1061-F1067 HydrophobicContact CG1-CE2 3.91Å; V1061-F1067 HydrophobicContact CG1-CG 3.88Å; V1061-F1067 HydrophobicContact CG1-CZ 4.02Å; V1061-F1067 HydrophobicContact CG2-CE2 4.33Å; V1061-F1067 HydrophobicContact CG2-CZ 4.26Å |
| 1062 | T | 85.4 | Confident | 82.6 | Confident | 43 Ų | 43 | 31.2 Ų | 31.2 | 26% | 0.264 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 118.9 | 166.9 | 52.4 | 0 | 0 | 0 | 0 | 109.4 | E1003 E1004 S1064 | E1003-T1062 WeakPolarHBondContact O-CA 3.32Å; E1004-T1062 HydrophobicContact CG-CG2 4.05Å; T1062-S1064 PolarHBondContact O-N 2.92Å; T1062-S1064 VanDerWaalsContact O-N 3.13Å |
| 1063 | V | 84.2 | Confident | 81.9 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | trans | -68 | 110.3 | -178.1 | 178.1 | 0 | 0 | 0 | 0 | 110 | K1000 E1001 G1002 E1003 L1005 V1061 F1067 L1068 | K1000-V1063 WeakPolarHBondContact O-CB 3.36Å; E1001-V1063 WeakPolarHBondContact CA-O 3.27Å; G1002-V1063 PolarHBondContact N-O 3.21Å; E1003-V1063 PolarHBondContact O-N 3.26Å; L1005-V1063 HydrophobicContact CB-CG2 3.97Å; V1061-V1063 PolarHBondContact O-N 3.22Å; V1063-F1067 HydrophobicContact CG2-CD1 4.34Å; V1063-F1067 HydrophobicContact CG2-CE1 4.38Å; V1063-L1068 HydrophobicContact CG1-CD1 3.94Å; V1063-L1068 HydrophobicContact CG1-CD2 4.02Å; V1063-L1068 HydrophobicContact CG1-CG 3.93Å | ||
| 1064 | S | 81.9 | Confident | 81.4 | Confident | 16 Ų | 16 | 32.6 Ų | 32.6 | 11% | 0.112 | 15% | 0.152 | C | C | . | . | trans | -123.4 | 166.9 | 174.4 | 73 | 0 | 0 | 0 | 0 | 111.5 | F912 T1062 A1066 F1067 L1068 | F912-S1064 PolarHBondContact O-OG 2.85Å; T1062-S1064 PolarHBondContact O-N 2.92Å; T1062-S1064 VanDerWaalsContact O-N 3.13Å; S1064-A1066 PolarHBondContact O-N 3.46Å; S1064-F1067 PolarHBondContact O-N 3.04Å; S1064-F1067 PolarHBondContact OG-N 2.9Å; S1064-L1068 PolarHBondContact O-N 3.04Å | ||
| 1065 | K | 75.8 | Confident | 81.6 | Confident | 109 Ų | 109 | 24.8 Ų | 24.8 | 47% | 0.474 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -57.3 | -35.6 | 177.3 | -71.2 | 175.6 | 169.1 | 84.7 | 0 | 112.1 | E1001 H1069 | E1001-K1065 VanDerWaalsContact CD-NZ 3.32Å; E1001-K1065 VanDerWaalsContact OE1-CE 3.22Å; E1001-K1065 WeakPolarHBondContact OE1-CE 3.23Å; E1001-K1065 WeakPolarHBondContact OE1-CG 3.26Å; E1001-K1065 IonicContact OE1-NZ 2.95Å; E1001-K1065 PolarHBondContact OE1-NZ 2.66Å; E1001-K1065 IonicContact OE2-NZ 3.91Å; E1001-K1065 PolarHBondContact OE2-NZ 2.63Å; K1065-H1069 VanDerWaalsContact O-CB 3.29Å; K1065-H1069 WeakPolarHBondContact O-CB 3.42Å; K1065-H1069 PolarHBondContact O-N 3.03Å |
| 1066 | A | 73.5 | Confident | 81.6 | Confident | 10 Ų | 10 | 23.5 Ų | 23.5 | 8% | 0.083 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.8 | -37.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F912 F917 S1064 Y1070 | F912-A1066 HydrophobicContact CB-CB 4.06Å; F917-A1066 HydrophobicContact CD2-CB 3.84Å; F917-A1066 HydrophobicContact CE2-CB 4.25Å; S1064-A1066 PolarHBondContact O-N 3.46Å; A1066-Y1070 WeakPolarHBondContact O-CB 3.19Å; A1066-Y1070 PolarHBondContact O-N 2.85Å |
| 1067 | F | 83.3 | Confident | 81.7 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -71.8 | -42.5 | 175.4 | 178.5 | -123.5 | 0 | 0 | 0 | 112.4 | F912 L1005 F1007 V1061 V1063 S1064 H1069 Y1070 I1071 | F912-F1067 HydrophobicContact CB-CB 4.27Å; F912-F1067 HydrophobicContact CD1-CB 4.34Å; F912-F1067 HydrophobicContact CD2-CB 3.97Å; F912-F1067 AromaticContact CD2-CD2 3.91Å; F912-F1067 HydrophobicContact CD2-CD2 3.91Å; F912-F1067 HydrophobicContact CD2-CG 4.25Å; F912-F1067 HydrophobicContact CE1-CD2 4.26Å; F912-F1067 HydrophobicContact CE2-CB 4.43Å; F912-F1067 AromaticContact CE2-CD2 3.51Å; F912-F1067 HydrophobicContact CE2-CD2 3.51Å; F912-F1067 HydrophobicContact CE2-CE2 4.12Å; F912-F1067 HydrophobicContact CE2-CG 4.29Å; F912-F1067 HydrophobicContact CG-CB 3.94Å; F912-F1067 HydrophobicContact CG-CD2 4.47Å; F912-F1067 AromaticContact CZ-CD2 3.71Å; F912-F1067 HydrophobicContact CZ-CD2 3.71Å; F912-F1067 HydrophobicContact CZ-CE2 4.33Å; L1005-F1067 HydrophobicContact CD2-CE1 4.02Å; L1005-F1067 HydrophobicContact CD2-CZ 4.34Å; F1007-F1067 HydrophobicContact CE1-CE2 4.26Å; F1007-F1067 AromaticContact CE1-CZ 3.9Å; F1007-F1067 HydrophobicContact CE1-CZ 3.9Å; V1061-F1067 HydrophobicContact CB-CE1 4.26Å; V1061-F1067 HydrophobicContact CB-CE2 4.35Å; V1061-F1067 HydrophobicContact CB-CZ 4.09Å; V1061-F1067 HydrophobicContact CG1-CD1 4.04Å; V1061-F1067 HydrophobicContact CG1-CD2 3.83Å; V1061-F1067 HydrophobicContact CG1-CE1 4.09Å; V1061-F1067 HydrophobicContact CG1-CE2 3.91Å; V1061-F1067 HydrophobicContact CG1-CG 3.88Å; V1061-F1067 HydrophobicContact CG1-CZ 4.02Å; V1061-F1067 HydrophobicContact CG2-CE2 4.33Å; V1061-F1067 HydrophobicContact CG2-CZ 4.26Å; V1063-F1067 HydrophobicContact CG2-CD1 4.34Å; V1063-F1067 HydrophobicContact CG2-CE1 4.38Å; S1064-F1067 PolarHBondContact O-N 3.04Å; S1064-F1067 PolarHBondContact OG-N 2.9Å; F1067-H1069 PolarHBondContact O-N 3.44Å; F1067-Y1070 VanDerWaalsContact O-CB 3.31Å; F1067-Y1070 WeakPolarHBondContact O-CB 3.3Å; F1067-Y1070 PolarHBondContact O-N 2.76Å; F1067-Y1070 VanDerWaalsContact O-N 3.11Å; F1067-I1071 HydrophobicContact CD1-CD1 3.88Å; F1067-I1071 HydrophobicContact CD2-CD1 4.3Å; F1067-I1071 HydrophobicContact CD2-CG1 4.46Å; F1067-I1071 HydrophobicContact CE1-CD1 3.55Å; F1067-I1071 HydrophobicContact CE2-CD1 3.99Å; F1067-I1071 HydrophobicContact CE2-CG1 4.16Å; F1067-I1071 HydrophobicContact CG-CD1 4.27Å; F1067-I1071 HydrophobicContact CZ-CD1 3.62Å; F1067-I1071 HydrophobicContact CZ-CG1 4.23Å; F1067-I1071 WeakPolarHBondContact O-CG1 3.14Å; F1067-I1071 PolarHBondContact O-N 3.46Å |
| 1068 | L | 81.3 | Confident | 81.9 | Confident | 6 Ų | 6 | 22 Ų | 22 | 3% | 0.031 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 175.5 | -68.7 | 164.7 | 0 | 0 | 0 | 110.8 | F995 M999 E1001 V1063 S1064 Y1070 I1071 H1072 | F995-L1068 HydrophobicContact CD1-CD1 4.23Å; F995-L1068 HydrophobicContact CD1-CD2 4.12Å; F995-L1068 HydrophobicContact CD2-CD1 4.24Å; F995-L1068 HydrophobicContact CE1-CB 4.46Å; F995-L1068 HydrophobicContact CE1-CD1 3.93Å; F995-L1068 HydrophobicContact CE1-CD2 4.21Å; F995-L1068 HydrophobicContact CE1-CG 4.43Å; F995-L1068 HydrophobicContact CE2-CD1 3.92Å; F995-L1068 HydrophobicContact CG-CD1 4.39Å; F995-L1068 HydrophobicContact CZ-CD1 3.77Å; M999-L1068 HydrophobicContact CB-CD2 4.42Å; M999-L1068 HydrophobicContact SD-CD2 4.24Å; E1001-L1068 HydrophobicContact CG-CD1 4.1Å; V1063-L1068 HydrophobicContact CG1-CD1 3.94Å; V1063-L1068 HydrophobicContact CG1-CD2 4.02Å; V1063-L1068 HydrophobicContact CG1-CG 3.93Å; S1064-L1068 PolarHBondContact O-N 3.04Å; L1068-Y1070 VanDerWaalsContact C-N 3.29Å; L1068-Y1070 PolarHBondContact O-N 2.8Å; L1068-I1071 PolarHBondContact O-N 3.25Å; L1068-H1072 PolarHBondContact O-CD2 3.4Å; L1068-H1072 PolarHBondContact O-N 3.44Å |
| 1069 | H | 74.5 | Confident | 82 | Confident | 63 Ų | 63 | 23.3 Ų | 23.3 | 29% | 0.292 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -59.5 | -38.2 | 172.5 | -175.9 | -86.9 | 0 | 0 | 0 | 112.6 | F917 K1065 F1067 H1072 H1073 Y1074 | F917-H1069 HydrophobicContact CE2-CB 3.92Å; F917-H1069 AromaticContact CE2-CG 3.85Å; F917-H1069 AromaticContact CE2-ND1 3.89Å; F917-H1069 HydrophobicContact CZ-CB 3.72Å; F917-H1069 AromaticContact CZ-CD2 3.76Å; F917-H1069 AromaticContact CZ-CG 3.52Å; F917-H1069 AromaticContact CZ-ND1 3.91Å; K1065-H1069 VanDerWaalsContact O-CB 3.29Å; K1065-H1069 WeakPolarHBondContact O-CB 3.42Å; K1065-H1069 PolarHBondContact O-N 3.03Å; F1067-H1069 PolarHBondContact O-N 3.44Å; H1069-H1072 PolarHBondContact O-N 3.06Å; H1069-H1073 AromaticContact CD2-CE1 3.6Å; H1069-H1073 AromaticContact CD2-ND1 3.43Å; H1069-H1073 PolarHBondContact CD2-ND1 3.07Å; H1069-H1073 AromaticContact CE1-ND1 3.52Å; H1069-H1073 AromaticContact CG-ND1 3.66Å; H1069-H1073 AromaticContact ND1-ND1 3.71Å; H1069-H1073 AromaticContact NE2-CE1 3.59Å; H1069-H1073 AromaticContact NE2-ND1 3.35Å; H1069-H1073 PolarHBondContact NE2-ND1 2.93Å; H1069-H1073 PolarHBondContact O-N 3.08Å; H1069-H1073 PolarHBondContact O-ND1 3.31Å; H1069-Y1074 AromaticContact CE1-CE2 3.88Å; H1069-Y1074 AromaticContact ND1-CE2 3.8Å |
| 1070 | Y | 79.7 | Confident | 82.2 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.8 | -48.7 | 175.5 | -170.3 | -76.7 | 0 | 0 | 0 | 111.6 | L857 F912 F1030 L1031 A1066 F1067 L1068 H1072 H1073 Y1074 P1075 | L857-Y1070 HydrophobicContact CD1-CD1 4.44Å; L857-Y1070 HydrophobicContact CD1-CE1 4.27Å; F912-Y1070 AromaticContact CE1-CD2 3.84Å; F912-Y1070 HydrophobicContact CE1-CD2 3.84Å; F912-Y1070 HydrophobicContact CE1-CE2 4.46Å; F912-Y1070 HydrophobicContact CE1-CG 4Å; F1030-Y1070 AromaticContact CD1-CE1 3.94Å; F1030-Y1070 HydrophobicContact CD1-CE1 3.94Å; F1030-Y1070 AromaticContact CD1-CZ 3.82Å; F1030-Y1070 HydrophobicContact CE1-CE1 4.46Å; L1031-Y1070 HydrophobicContact CB-CE2 3.63Å; L1031-Y1070 PolarHBondContact N-OH 3.27Å; A1066-Y1070 WeakPolarHBondContact O-CB 3.19Å; A1066-Y1070 PolarHBondContact O-N 2.85Å; F1067-Y1070 VanDerWaalsContact O-CB 3.31Å; F1067-Y1070 WeakPolarHBondContact O-CB 3.3Å; F1067-Y1070 PolarHBondContact O-N 2.76Å; F1067-Y1070 VanDerWaalsContact O-N 3.11Å; L1068-Y1070 VanDerWaalsContact C-N 3.29Å; L1068-Y1070 PolarHBondContact O-N 2.8Å; Y1070-H1072 PolarHBondContact O-N 3.35Å; Y1070-H1073 PolarHBondContact O-N 2.9Å; Y1070-Y1074 AromaticContact CD2-CD2 3.95Å; Y1070-Y1074 HydrophobicContact CD2-CD2 3.95Å; Y1070-Y1074 HydrophobicContact CD2-CG 4.49Å; Y1070-Y1074 HydrophobicContact CE2-CD2 4.46Å; Y1070-Y1074 HydrophobicContact CG-CD2 4.33Å; Y1070-Y1074 PolarHBondContact O-N 2.68Å; Y1070-P1075 PolarHBondContact OH-O 3.4Å |
| 1071 | I | 83.5 | Confident | 82.3 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.6 | -33.3 | -179.4 | -67.4 | 160.1 | 0 | 0 | 0 | 112.6 | L857 T858 L861 M999 F1067 L1068 | L857-I1071 HydrophobicContact CB-CG1 4.21Å; L857-I1071 HydrophobicContact CB-CG2 4.33Å; T858-I1071 PolarHBondContact OG1-O 2.99Å; L861-I1071 HydrophobicContact CD1-CG2 4.05Å; L861-I1071 HydrophobicContact CD2-CG2 3.9Å; L861-I1071 HydrophobicContact CG-CG2 3.66Å; M999-I1071 HydrophobicContact CE-CD1 3.76Å; M999-I1071 HydrophobicContact SD-CD1 4.35Å; F1067-I1071 HydrophobicContact CD1-CD1 3.88Å; F1067-I1071 HydrophobicContact CD2-CD1 4.3Å; F1067-I1071 HydrophobicContact CD2-CG1 4.46Å; F1067-I1071 HydrophobicContact CE1-CD1 3.55Å; F1067-I1071 HydrophobicContact CE2-CD1 3.99Å; F1067-I1071 HydrophobicContact CE2-CG1 4.16Å; F1067-I1071 HydrophobicContact CG-CD1 4.27Å; F1067-I1071 HydrophobicContact CZ-CD1 3.62Å; F1067-I1071 HydrophobicContact CZ-CG1 4.23Å; F1067-I1071 WeakPolarHBondContact O-CG1 3.14Å; F1067-I1071 PolarHBondContact O-N 3.46Å; L1068-I1071 PolarHBondContact O-N 3.25Å |
| 1072 | H | 75.4 | Confident | 82.4 | Confident | 57 Ų | 57 | 23.3 Ų | 23.3 | 26% | 0.264 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -76.5 | -32.6 | 178.1 | -86 | -97.2 | 0 | 0 | 0 | 114.1 | L1068 H1069 Y1070 | L1068-H1072 PolarHBondContact O-CD2 3.4Å; L1068-H1072 PolarHBondContact O-N 3.44Å; H1069-H1072 PolarHBondContact O-N 3.06Å; Y1070-H1072 PolarHBondContact O-N 3.35Å |
| 1073 | H | 68.7 | Low | 82.3 | Confident | 78 Ų | 78 | 23.3 Ų | 23.3 | 36% | 0.361 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -117.7 | -32.4 | -165.7 | -59.7 | 101.5 | 0 | 0 | 0 | 115.5 | H1069 Y1070 | H1069-H1073 AromaticContact CD2-CE1 3.6Å; H1069-H1073 AromaticContact CD2-ND1 3.43Å; H1069-H1073 PolarHBondContact CD2-ND1 3.07Å; H1069-H1073 AromaticContact CE1-ND1 3.52Å; H1069-H1073 AromaticContact CG-ND1 3.66Å; H1069-H1073 AromaticContact ND1-ND1 3.71Å; H1069-H1073 AromaticContact NE2-CE1 3.59Å; H1069-H1073 AromaticContact NE2-ND1 3.35Å; H1069-H1073 PolarHBondContact NE2-ND1 2.93Å; H1069-H1073 PolarHBondContact O-N 3.08Å; H1069-H1073 PolarHBondContact O-ND1 3.31Å; Y1070-H1073 PolarHBondContact O-N 2.9Å |
| 1074 | Y | 75.2 | Confident | 81.9 | Confident | 26 Ų | 26 | 24.8 Ų | 24.8 | 10% | 0.102 | 12% | 0.116 | C | C | . | . | trans | -119.9 | 142 | -168.4 | -53.1 | -54.5 | 0 | 0 | 0 | 113.3 | L934 L1031 H1069 Y1070 | L934-Y1074 HydrophobicContact CD1-CE1 4.23Å; L934-Y1074 HydrophobicContact CD1-CE2 4.31Å; L934-Y1074 WeakPolarHBondContact CD1-OH 3.13Å; L1031-Y1074 HydrophobicContact CD2-CD1 3.78Å; L1031-Y1074 HydrophobicContact CD2-CD2 4.44Å; L1031-Y1074 HydrophobicContact CD2-CE1 4.27Å; L1031-Y1074 HydrophobicContact CD2-CG 3.92Å; H1069-Y1074 AromaticContact CE1-CE2 3.88Å; H1069-Y1074 AromaticContact ND1-CE2 3.8Å; Y1070-Y1074 AromaticContact CD2-CD2 3.95Å; Y1070-Y1074 HydrophobicContact CD2-CD2 3.95Å; Y1070-Y1074 HydrophobicContact CD2-CG 4.49Å; Y1070-Y1074 HydrophobicContact CE2-CD2 4.46Å; Y1070-Y1074 HydrophobicContact CG-CD2 4.33Å; Y1070-Y1074 PolarHBondContact O-N 2.68Å | ||
| 1075 | P | 84.3 | Confident | 81.3 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.032 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 161.6 | 172.3 | 36.1 | -34.1 | 0 | 0 | 0 | 112.1 | M760 F854 V855 Y856 Y1070 | M760-P1075 HydrophobicContact CE-CG 3.73Å; F854-P1075 HydrophobicContact CB-CB 3.8Å; F854-P1075 HydrophobicContact CB-CG 3.96Å; F854-P1075 HydrophobicContact CD1-CG 3.99Å; F854-P1075 HydrophobicContact CG-CB 4.47Å; F854-P1075 HydrophobicContact CG-CG 4.12Å; V855-P1075 CarbonylContact O-C 3.56Å; V855-P1075 VanDerWaalsContact O-CA 3.25Å; V855-P1075 WeakPolarHBondContact O-CA 3.27Å; V855-P1075 WeakPolarHBondContact O-CB 3.32Å; Y856-P1075 HydrophobicContact CD1-CB 3.99Å; Y856-P1075 HydrophobicContact CE1-CB 4.09Å; Y856-P1075 HydrophobicContact CE1-CG 4.2Å; Y856-P1075 HydrophobicContact CG-CB 4.21Å; Y1070-P1075 PolarHBondContact OH-O 3.4Å |
| 1076 | I | 86.7 | Confident | 80.4 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 136.9 | 153.2 | -60.1 | -178.5 | 0 | 0 | 0 | 107.9 | V855 L857 V1009 F1028 F1030 F1078 | V855-I1076 PolarHBondContact N-O 3.11Å; V855-I1076 VanDerWaalsContact N-O 3.07Å; V855-I1076 PolarHBondContact O-N 2.89Å; L857-I1076 HydrophobicContact CD1-CD1 4.08Å; L857-I1076 HydrophobicContact CD1-CG1 4.07Å; L857-I1076 HydrophobicContact CD2-CD1 3.83Å; L857-I1076 HydrophobicContact CD2-CG1 4.28Å; L857-I1076 HydrophobicContact CG-CD1 4.25Å; L857-I1076 HydrophobicContact CG-CG1 4.22Å; V1009-I1076 HydrophobicContact CG2-CD1 4.47Å; F1028-I1076 HydrophobicContact CB-CG2 4.23Å; F1028-I1076 HydrophobicContact CD2-CG2 4.1Å; F1030-I1076 HydrophobicContact CD1-CD1 4.49Å; F1030-I1076 HydrophobicContact CD1-CG1 4.12Å; F1030-I1076 HydrophobicContact CE1-CD1 3.68Å; F1030-I1076 HydrophobicContact CE1-CG1 3.73Å; F1030-I1076 HydrophobicContact CE2-CD1 4.12Å; F1030-I1076 HydrophobicContact CZ-CD1 3.43Å; F1030-I1076 VanDerWaalsContact CZ-CD1 3.43Å; F1030-I1076 HydrophobicContact CZ-CG1 3.95Å; I1076-F1078 HydrophobicContact CB-CD2 4.48Å; I1076-F1078 HydrophobicContact CB-CE2 3.8Å; I1076-F1078 HydrophobicContact CG2-CD2 3.97Å; I1076-F1078 HydrophobicContact CG2-CE2 3.38Å; I1076-F1078 HydrophobicContact CG2-CZ 3.84Å |
| 1077 | I | 87.4 | Confident | 79.4 | Confident | 10 Ų | 10 | 32.1 Ų | 32.1 | 5% | 0.051 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 129.1 | 173.9 | -55 | -175.7 | 0 | 0 | 0 | 108.6 | M760 F854 F1028 N1029 L1031 E1079 | M760-I1077 HydrophobicContact CE-CD1 3.77Å; M760-I1077 HydrophobicContact CE-CG1 3.96Å; F854-I1077 HydrophobicContact CD1-CB 4.46Å; F854-I1077 HydrophobicContact CD1-CG1 4.04Å; F854-I1077 HydrophobicContact CD1-CG2 4.44Å; F854-I1077 HydrophobicContact CE1-CB 4.34Å; F854-I1077 HydrophobicContact CE1-CD1 4.3Å; F854-I1077 HydrophobicContact CE1-CG1 3.88Å; F854-I1077 HydrophobicContact CE1-CG2 3.97Å; F1028-I1077 WeakPolarHBondContact CA-O 3.17Å; F1028-I1077 VanDerWaalsContact CB-O 3.31Å; F1028-I1077 WeakPolarHBondContact CB-O 3.14Å; N1029-I1077 PolarHBondContact N-O 2.94Å; N1029-I1077 VanDerWaalsContact N-O 3.09Å; N1029-I1077 PolarHBondContact O-N 3.5Å; L1031-I1077 HydrophobicContact CD1-CD1 3.85Å; L1031-I1077 HydrophobicContact CD1-CG1 4.34Å; I1077-E1079 HydrophobicContact CG2-CG 3.83Å |
| 1078 | F | 91.2 | Very high | 77.3 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 122.3 | 169.6 | -68.1 | -101.4 | 0 | 0 | 0 | 108.4 | R852 A853 V855 L883 I885 V1009 V1011 Q1027 F1028 I1076 | R852-F1078 CarbonylContact C-O 3.57Å; R852-F1078 WeakPolarHBondContact CA-O 3.49Å; A853-F1078 HydrophobicContact CB-CB 4.36Å; A853-F1078 PolarHBondContact N-O 3.48Å; A853-F1078 PolarHBondContact O-N 2.75Å; V855-F1078 HydrophobicContact CB-CD2 4.46Å; V855-F1078 HydrophobicContact CB-CE2 3.95Å; V855-F1078 HydrophobicContact CG2-CD2 4.03Å; V855-F1078 HydrophobicContact CG2-CE2 3.77Å; L883-F1078 HydrophobicContact CD2-CB 3.9Å; L883-F1078 HydrophobicContact CD2-CD1 4.18Å; L883-F1078 HydrophobicContact CD2-CG 4.26Å; I885-F1078 HydrophobicContact CD1-CB 4.39Å; I885-F1078 HydrophobicContact CD1-CD1 3.56Å; I885-F1078 HydrophobicContact CD1-CD2 3.6Å; I885-F1078 HydrophobicContact CD1-CE1 3.66Å; I885-F1078 HydrophobicContact CD1-CE2 3.68Å; I885-F1078 HydrophobicContact CD1-CG 3.56Å; I885-F1078 HydrophobicContact CD1-CZ 3.72Å; I885-F1078 HydrophobicContact CG1-CD1 4.22Å; I885-F1078 HydrophobicContact CG1-CE1 4.02Å; I885-F1078 HydrophobicContact CG1-CZ 4.25Å; I885-F1078 HydrophobicContact CG2-CE1 4.22Å; I885-F1078 HydrophobicContact CG2-CE2 4.48Å; I885-F1078 HydrophobicContact CG2-CZ 3.85Å; V1009-F1078 HydrophobicContact CG1-CE1 4.32Å; V1009-F1078 HydrophobicContact CG1-CZ 3.94Å; V1011-F1078 HydrophobicContact CG2-CD1 4.28Å; V1011-F1078 HydrophobicContact CG2-CE1 3.8Å; Q1027-F1078 CarbonylContact O-C 3.45Å; Q1027-F1078 WeakPolarHBondContact O-CA 3.39Å; F1028-F1078 HydrophobicContact CB-CB 4.44Å; F1028-F1078 HydrophobicContact CB-CD1 3.38Å; F1028-F1078 HydrophobicContact CB-CD2 4.32Å; F1028-F1078 HydrophobicContact CB-CE1 3.47Å; F1028-F1078 VanDerWaalsContact CB-CE1 3.47Å; F1028-F1078 HydrophobicContact CB-CE2 4.4Å; F1028-F1078 HydrophobicContact CB-CG 3.82Å; F1028-F1078 HydrophobicContact CB-CZ 3.99Å; F1028-F1078 HydrophobicContact CD1-CD1 4.04Å; F1028-F1078 AromaticContact CD1-CE1 3.64Å; F1028-F1078 HydrophobicContact CD1-CE1 3.64Å; F1028-F1078 HydrophobicContact CD2-CE1 4.02Å; F1028-F1078 HydrophobicContact CD2-CZ 4.11Å; F1028-F1078 HydrophobicContact CE1-CE1 4.34Å; F1028-F1078 AromaticContact CG-CD1 3.86Å; F1028-F1078 HydrophobicContact CG-CD1 3.86Å; F1028-F1078 AromaticContact CG-CE1 3.44Å; F1028-F1078 HydrophobicContact CG-CE1 3.44Å; F1028-F1078 VanDerWaalsContact CG-CE1 3.44Å; F1028-F1078 AromaticContact CG-CZ 3.97Å; F1028-F1078 HydrophobicContact CG-CZ 3.97Å; I1076-F1078 HydrophobicContact CB-CD2 4.48Å; I1076-F1078 HydrophobicContact CB-CE2 3.8Å; I1076-F1078 HydrophobicContact CG2-CD2 3.97Å; I1076-F1078 HydrophobicContact CG2-CE2 3.38Å; I1076-F1078 HydrophobicContact CG2-CZ 3.84Å |
| 1079 | E | 90.4 | Very high | 74.8 | Confident | 35 Ų | 35 | 41.7 Ų | 41.7 | 16% | 0.164 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 136.5 | 178.2 | -56 | -165.3 | 120.3 | 0 | 0 | 108.5 | L849 R852 C1026 Q1027 I1077 F1081 | L849-E1079 HydrophobicContact CD1-CB 3.91Å; R852-E1079 HydrophobicContact CG-CG 4.23Å; R852-E1079 IonicContact CZ-OE1 3.28Å; R852-E1079 IonicContact NE-OE1 3.78Å; R852-E1079 PolarHBondContact NE-OE1 2.99Å; R852-E1079 IonicContact NH2-OE1 2.99Å; R852-E1079 PolarHBondContact NH2-OE1 2.79Å; C1026-E1079 CarbonylContact C-O 3.51Å; C1026-E1079 VanDerWaalsContact CA-O 3.29Å; C1026-E1079 WeakPolarHBondContact CA-O 3.08Å; C1026-E1079 PolarHBondContact SG-O 3.25Å; Q1027-E1079 PolarHBondContact N-O 3.42Å; Q1027-E1079 PolarHBondContact O-N 3.43Å; I1077-E1079 HydrophobicContact CG2-CG 3.83Å; E1079-F1081 HydrophobicContact CB-CD2 4.37Å; E1079-F1081 HydrophobicContact CB-CE2 3.67Å; E1079-F1081 HydrophobicContact CB-CZ 4.33Å |
| 1080 | V | 90.6 | Very high | 72.8 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 120 | 179.8 | -180 | 0 | 0 | 0 | 0 | 108.6 | V850 G851 I872 L883 L1024 F1025 C1026 | V850-V1080 WeakPolarHBondContact CA-O 3.41Å; V850-V1080 HydrophobicContact CB-CB 4.46Å; V850-V1080 HydrophobicContact CB-CG1 4.29Å; V850-V1080 VanDerWaalsContact CB-O 3.29Å; V850-V1080 WeakPolarHBondContact CB-O 3.15Å; V850-V1080 HydrophobicContact CG2-CG1 4.46Å; V850-V1080 PolarHBondContact N-O 2.92Å; G851-V1080 PolarHBondContact N-O 3.36Å; G851-V1080 PolarHBondContact O-N 3.47Å; I872-V1080 HydrophobicContact CD1-CB 4.47Å; I872-V1080 HydrophobicContact CD1-CG1 4.49Å; I872-V1080 HydrophobicContact CD1-CG2 3.93Å; I872-V1080 HydrophobicContact CG1-CG2 4.09Å; I872-V1080 HydrophobicContact CG2-CB 4.24Å; I872-V1080 HydrophobicContact CG2-CG2 4.33Å; L883-V1080 HydrophobicContact CD2-CG2 4.27Å; L1024-V1080 HydrophobicContact CD2-CG1 4.29Å; F1025-V1080 WeakPolarHBondContact O-CA 3.3Å; C1026-V1080 HydrophobicContact CB-CG2 4.29Å |
| 1081 | F | 90 | Very high | 70.5 | Confident | 25 Ų | 25 | 54.6 Ų | 54.6 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 152.2 | -179.3 | -66.6 | -94.3 | 0 | 0 | 0 | 110.2 | R848 L849 L1024 F1025 Q1027 E1079 | R848-F1081 WeakPolarHBondContact O-CA 3.29Å; L849-F1081 HydrophobicContact CB-CD1 4.25Å; L849-F1081 HydrophobicContact CB-CE1 4.07Å; L849-F1081 HydrophobicContact CD1-CD1 4.4Å; L849-F1081 HydrophobicContact CD1-CE1 4.11Å; L849-F1081 HydrophobicContact CD1-CE2 4.23Å; L849-F1081 HydrophobicContact CD1-CZ 4.02Å; L1024-F1081 CarbonylContact C-O 3.48Å; L1024-F1081 VanDerWaalsContact CA-O 3.27Å; L1024-F1081 WeakPolarHBondContact CA-O 3.47Å; L1024-F1081 WeakPolarHBondContact CD2-O 3.2Å; F1025-F1081 HydrophobicContact CD1-CB 4.01Å; F1025-F1081 HydrophobicContact CD2-CB 4.25Å; F1025-F1081 HydrophobicContact CD2-CD2 4.29Å; F1025-F1081 HydrophobicContact CE1-CB 3.54Å; F1025-F1081 HydrophobicContact CE1-CG 4.35Å; F1025-F1081 HydrophobicContact CE2-CB 3.8Å; F1025-F1081 AromaticContact CE2-CD2 3.61Å; F1025-F1081 HydrophobicContact CE2-CD2 3.61Å; F1025-F1081 HydrophobicContact CE2-CE2 4.43Å; F1025-F1081 AromaticContact CE2-CG 3.91Å; F1025-F1081 HydrophobicContact CE2-CG 3.91Å; F1025-F1081 HydrophobicContact CG-CB 4.35Å; F1025-F1081 HydrophobicContact CZ-CB 3.42Å; F1025-F1081 VanDerWaalsContact CZ-CB 3.42Å; F1025-F1081 HydrophobicContact CZ-CD1 4.49Å; F1025-F1081 AromaticContact CZ-CD2 3.93Å; F1025-F1081 HydrophobicContact CZ-CD2 3.93Å; F1025-F1081 AromaticContact CZ-CG 3.73Å; F1025-F1081 HydrophobicContact CZ-CG 3.73Å; F1025-F1081 PolarHBondContact N-O 3.26Å; F1025-F1081 PolarHBondContact O-N 3.47Å; Q1027-F1081 HydrophobicContact CB-CE2 4.41Å; E1079-F1081 HydrophobicContact CB-CD2 4.37Å; E1079-F1081 HydrophobicContact CB-CE2 3.67Å; E1079-F1081 HydrophobicContact CB-CZ 4.33Å |
| 1082 | G | 86.8 | Confident | 67.9 | Low | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 150.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R848 I1022 F1084 | R848-G1082 PolarHBondContact N-O 2.96Å; R848-G1082 PolarHBondContact O-N 3.38Å; I1022-G1082 CarbonylContact O-C 3.58Å; I1022-G1082 WeakPolarHBondContact O-CA 2.98Å; G1082-F1084 PolarHBondContact O-N 3.37Å |
| 1083 | H | 83.6 | Confident | 65.7 | Low | 42 Ų | 42 | 64.6 Ų | 64.6 | 19% | 0.194 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 119.9 | 175.2 | 175.7 | -15.8 | 0 | 0 | 0 | 108.7 | W846 F847 Y1021 I1022 | W846-H1083 AromaticContact CE3-CE1 3.72Å; W846-H1083 AromaticContact CE3-NE2 3.58Å; W846-H1083 WeakPolarHBondContact O-CA 3.37Å; F847-H1083 HydrophobicContact CD1-CB 4.04Å; F847-H1083 HydrophobicContact CE1-CB 3.94Å; Y1021-H1083 WeakPolarHBondContact CA-O 3.41Å; I1022-H1083 HydrophobicContact CG1-CB 3.95Å; I1022-H1083 WeakPolarHBondContact CG1-O 3.08Å; I1022-H1083 PolarHBondContact N-O 3.28Å; I1022-H1083 PolarHBondContact O-N 2.77Å |
| 1084 | F | 75.9 | Confident | 63.7 | Low | 34 Ų | 34 | 69.2 Ų | 69.2 | 15% | 0.149 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 127.4 | 179 | -176.2 | -104.2 | 0 | 0 | 0 | 109.9 | W846 R848 E1020 Y1021 G1082 P1086 | W846-F1084 PolarHBondContact O-N 2.8Å; R848-F1084 HydrophobicContact CG-CB 4.09Å; R848-F1084 VanDerWaalsContact CZ-CD1 3.46Å; E1020-F1084 HydrophobicContact CB-CD2 4.08Å; E1020-F1084 HydrophobicContact CB-CE2 3.78Å; E1020-F1084 HydrophobicContact CG-CE2 4.42Å; E1020-F1084 CarbonylContact O-C 3.56Å; E1020-F1084 WeakPolarHBondContact O-CA 3.44Å; Y1021-F1084 HydrophobicContact CD1-CB 4.35Å; Y1021-F1084 HydrophobicContact CD1-CD2 4.21Å; Y1021-F1084 HydrophobicContact CE1-CB 4.26Å; Y1021-F1084 AromaticContact CE1-CD2 3.77Å; Y1021-F1084 HydrophobicContact CE1-CD2 3.77Å; Y1021-F1084 HydrophobicContact CE1-CG 4.47Å; Y1021-F1084 HydrophobicContact CE2-CD2 4.47Å; Y1021-F1084 AromaticContact CZ-CD2 3.9Å; G1082-F1084 PolarHBondContact O-N 3.37Å; F1084-P1086 HydrophobicContact CD1-CG 4.38Å; F1084-P1086 HydrophobicContact CE1-CG 3.95Å |
| 1085 | Q | 68.9 | Low | 61.4 | Low | 107 Ų | 107 | 73 Ų | 73 | 50% | 0.5 | 42% | 0.424 | S | S | . | . | trans | -131.3 | 111.5 | 176 | -169 | 174 | 38 | 0 | 0 | 110.5 | E1020 I1022 T1087 | E1020-Q1085 PolarHBondContact O-N 2.93Å; I1022-Q1085 HydrophobicContact CD1-CB 4.45Å; Q1085-T1087 PolarHBondContact O-N 3.04Å | ||
| 1086 | P | 58.5 | Low | 58.8 | Low | 85 Ų | 85 | 79.3 Ų | 79.3 | 55% | 0.552 | 46% | 0.462 | S | S | * | . | trans | -59.1 | 125.4 | 171.6 | -22.7 | 33.3 | 0 | 0 | 0 | 110.8 | F1084 A1088 | F1084-P1086 HydrophobicContact CD1-CG 4.38Å; F1084-P1086 HydrophobicContact CE1-CG 3.95Å; P1086-A1088 PolarHBondContact O-N 2.93Å | ||
| 1087 | T | 52.3 | Low | 56 | Low | 98 Ų | 98 | 88.7 Ų | 88.7 | 60% | 0.601 | 50% | 0.503 | S | S | * | . | trans | -76.3 | 86.4 | -178.1 | 43.3 | 0 | 0 | 0 | 0 | 111.1 | Q1085 S1089 | Q1085-T1087 PolarHBondContact O-N 3.04Å; T1087-S1089 PolarHBondContact O-N 2.93Å | ||
| 1088 | A | 37.7 | Very low | 53.6 | Low | 107 Ų | 107 | 93.7 Ų | 93.7 | 88% | 0.884 | 54% | 0.536 | S | S | * | . | trans | -71 | 46.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | P1086 | P1086-A1088 PolarHBondContact O-N 2.93Š| ||
| 1089 | S | 30.7 | Very low | 50.6 | Low | 99 Ų | 99 | 98.1 Ų | 98.1 | 69% | 0.692 | 57% | 0.573 | S | S | * | * | trans | -144.8 | 45.8 | -171.4 | 72.3 | 0 | 0 | 0 | 0 | 114.8 | T1087 | T1087-S1089 PolarHBondContact O-N 2.93Š| ||
| 1090 | V | 32.4 | Very low | 47.7 | Very low | 141 Ų | 141 | 101.8 Ų | 101.8 | 86% | 0.855 | 60% | 0.603 | S | S | * | * | trans | -136.9 | 53.4 | 167.3 | -163.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1091 | E | 30 | Very low | 44.7 | Very low | 196 Ų | 196 | 108.2 Ų | 108.2 | 92% | 0.916 | 63% | 0.632 | S | S | * | * | trans | -136.3 | 43.6 | -176 | -155.7 | 168.8 | -143.8 | 0 | 0 | 113.4 | ||||
| 1092 | S | 28.9 | Very low | 41.8 | Very low | 110 Ų | 110 | 115.7 Ų | 115.7 | 77% | 0.769 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -146.7 | 0 | -179.6 | 66.8 | 0 | 0 | 0 | 0 | 118 | ||
| 1093 | L | 28.6 | Very low | 39.1 | Very low | 157 Ų | 157 | 123.9 Ų | 123.9 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | trans | -118.1 | 87.9 | -179.3 | -75.5 | 173.7 | 0 | 0 | 0 | 113 | ||||
| 1094 | L | 26.8 | Very low | 36.5 | Very low | 175 Ų | 175 | 128 Ų | 128 | 92% | 0.916 | 72% | 0.724 | S | S | * | * | trans | -102.6 | 98.8 | 161.5 | -82.9 | 168.7 | 0 | 0 | 0 | 110.6 | ||||
| 1095 | P | 27.6 | Very low | 34.4 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | trans | -123.4 | 163.5 | 150.3 | 10 | 12.3 | 0 | 0 | 0 | 113.4 | ||||
| 1096 | T | 29.9 | Very low | 32.5 | Very low | 137 Ų | 137 | 134 Ų | 134 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | trans | -43.3 | 149.4 | 177.6 | 46.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 1097 | K | 28.3 | Very low | 31.1 | Very low | 199 Ų | 199 | 135.9 Ų | 135.9 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | trans | -26.6 | 158.7 | 158.9 | -71.2 | -179.7 | 177.5 | -179.2 | 0 | 116.3 | ||||
| 1098 | P | 36.2 | Very low | 29.7 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | cis | -140.5 | -173.9 | -24.6 | 39.3 | -20.9 | 0 | 0 | 0 | 114.7 | ||||
| 1099 | A | 28.3 | Very low | 29.3 | Very low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | 85.4 | 144.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1100 | S | 30.2 | Very low | 29 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | trans | 63.4 | 106.5 | 162 | -63.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1101 | E | 26.7 | Very low | 28.8 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | 75.5 | 105.8 | 124.9 | -61.2 | -128.2 | 116.4 | 0 | 0 | 123.9 | |||||
| 1102 | R | 29.6 | Very low | 28.6 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 68% | 0.683 | 72% | 0.724 | S | S | * | * | 88.8 | 156.2 | 122.7 | -66.5 | 179.1 | -169.4 | 172.1 | 17.8 | 123.2 | |||||
| 1103 | F | 29.3 | Very low | 28.4 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | trans | 84.6 | 145 | 168.3 | -63.3 | -77.8 | 0 | 0 | 0 | 115.9 | ||||
| 1104 | V | 29.5 | Very low | 28.6 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | S | Bend | cis | -149.8 | 156.8 | 24.5 | -170.5 | 0 | 0 | 0 | 0 | 109.1 | ||
| 1105 | P | 32.6 | Very low | 28.9 | Very low | 99 Ų | 99 | 125.1 Ų | 125.1 | 64% | 0.643 | 69% | 0.688 | S | S | * | * | cis | -135 | 147.9 | -36.6 | 40.2 | -22.3 | 0 | 0 | 0 | 117.9 | ||||
| 1106 | K | 28.1 | Very low | 29.6 | Very low | 169 Ų | 169 | 127.4 Ų | 127.4 | 74% | 0.735 | 69% | 0.694 | S | S | * | * | trans | 49.2 | 90.6 | 133.3 | -55.5 | 172.7 | -177.8 | 171.1 | 0 | 122.5 | ||||
| 1107 | K | 29.6 | Very low | 30.6 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 54% | 0.535 | 68% | 0.68 | S | S | . | * | -91.9 | 131.9 | 128.8 | -93.2 | 170.6 | -178.9 | 154.9 | 0 | 109.2 | V879 S1109 | V879-K1107 WeakPolarHBondContact O-CE 3.06Å; V879-K1107 PolarHBondContact O-NZ 2.86Å; K1107-S1109 VanDerWaalsContact C-N 3.32Å; K1107-S1109 PolarHBondContact O-N 2.95Å; K1107-S1109 VanDerWaalsContact O-N 3.09Å | |||
| 1108 | P | 23.3 | Very low | 31.8 | Very low | 99 Ų | 99 | 117.4 Ų | 117.4 | 64% | 0.643 | 65% | 0.646 | S | S | * | * | trans | -86.8 | 68.8 | -179 | 35.9 | -34.6 | 0 | 0 | 0 | 111.3 | ||||
| 1109 | S | 28.5 | Very low | 33.2 | Very low | 87 Ų | 87 | 116.4 Ų | 116.4 | 61% | 0.608 | 64% | 0.638 | S | S | * | * | trans | -95.1 | 121.6 | 167.1 | 46.2 | 0 | 0 | 0 | 0 | 109.5 | K1107 V1111 | K1107-S1109 VanDerWaalsContact C-N 3.32Å; K1107-S1109 PolarHBondContact O-N 2.95Å; K1107-S1109 VanDerWaalsContact O-N 3.09Å; S1109-V1111 PolarHBondContact O-N 2.84Å | ||
| 1110 | F | 24.6 | Very low | 35.3 | Very low | 171 Ų | 171 | 114.7 Ų | 114.7 | 75% | 0.75 | 62% | 0.618 | S | S | * | * | trans | -74.7 | 70.4 | 178 | -179.1 | -96.6 | 0 | 0 | 0 | 110.2 | V1558 | F1110-V1558 HydrophobicContact CE2-CG2 3.92Å; F1110-V1558 HydrophobicContact CZ-CB 3.86Å; F1110-V1558 HydrophobicContact CZ-CG1 4.49Å; F1110-V1558 HydrophobicContact CZ-CG2 3.52Å | ||
| 1111 | V | 27.9 | Very low | 37.5 | Very low | 96 Ų | 96 | 109.4 Ų | 109.4 | 58% | 0.582 | 58% | 0.581 | S | S | * | * | trans | -139 | 94.9 | 174.6 | -174.4 | 0 | 0 | 0 | 0 | 106 | S1109 I1114 | S1109-V1111 PolarHBondContact O-N 2.84Å; V1111-I1114 HydrophobicContact CG1-CD1 4.05Å; V1111-I1114 HydrophobicContact CG1-CG1 4.01Å | ||
| 1112 | Q | 26.5 | Very low | 39.6 | Very low | 142 Ų | 142 | 109.7 Ų | 109.7 | 66% | 0.664 | 58% | 0.581 | S | S | * | * | trans | -57.2 | 144 | 161.8 | -76 | -179.3 | -58.6 | 0 | 0 | 107.9 | I1114 C1557 | Q1112-I1114 WeakPolarHBondContact O-CG1 3.41Å; Q1112-I1114 PolarHBondContact O-N 3.09Å; Q1112-C1557 PolarHBondContact OE1-SG 2.76Å | ||
| 1113 | S | 24.8 | Very low | 41.3 | Very low | 126 Ų | 126 | 101.8 Ų | 101.8 | 88% | 0.881 | 55% | 0.553 | S | S | * | * | trans | -47.7 | 95.5 | -174.4 | -48.9 | 0 | 0 | 0 | 0 | 112.4 | G1115 | S1113-G1115 PolarHBondContact O-N 2.7Š| ||
| 1114 | I | 32.2 | Very low | 42.6 | Very low | 101 Ų | 101 | 97.5 Ų | 97.5 | 52% | 0.518 | 54% | 0.544 | S | S | . | . | trans | -74.9 | 89.9 | 171.4 | -56.7 | -177 | 0 | 0 | 0 | 104.9 | V1111 Q1112 L1116 | V1111-I1114 HydrophobicContact CG1-CD1 4.05Å; V1111-I1114 HydrophobicContact CG1-CG1 4.01Å; Q1112-I1114 WeakPolarHBondContact O-CG1 3.41Å; Q1112-I1114 PolarHBondContact O-N 3.09Å; I1114-L1116 PolarHBondContact O-N 2.79Å | ||
| 1115 | G | 34 | Very low | 43.8 | Very low | 35 Ų | 35 | 97.8 Ų | 97.8 | 36% | 0.361 | 53% | 0.532 | S | S | . | . | trans | -49.7 | 133.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | S1113 I1117 R1554 | S1113-G1115 PolarHBondContact O-N 2.7Å; G1115-I1117 PolarHBondContact O-N 3.33Å; G1115-R1554 PolarHBondContact O-NH1 3.39Å | ||
| 1116 | L | 41 | Very low | 44.5 | Very low | 154 Ų | 154 | 95.4 Ų | 95.4 | 81% | 0.806 | 52% | 0.515 | S | S | * | . | trans | -37 | 131.3 | -168 | -76.8 | 150.5 | 0 | 0 | 0 | 112 | I1114 S1118 | I1114-L1116 PolarHBondContact O-N 2.79Å; L1116-S1118 PolarHBondContact O-N 3.37Å | ||
| 1117 | I | 51.9 | Low | 45 | Very low | 105 Ų | 105 | 93.1 Ų | 93.1 | 54% | 0.538 | 52% | 0.521 | S | S | . | . | trans | -59.5 | 112.4 | 174.5 | -60.7 | 174.3 | 0 | 0 | 0 | 106.7 | G1115 T1119 | G1115-I1117 PolarHBondContact O-N 3.33Å; I1117-T1119 PolarHBondContact O-N 3.04Å | ||
| 1118 | S | 53.8 | Low | 45.5 | Very low | 21 Ų | 21 | 90.8 Ų | 90.8 | 15% | 0.147 | 52% | 0.518 | C | S | . | . | trans | -58.6 | 110.4 | -179.5 | -68 | 0 | 0 | 0 | 0 | 109 | L1116 D1292 | L1116-S1118 PolarHBondContact O-N 3.37Å; S1118-D1292 WeakPolarHBondContact CB-OD2 3.21Å; S1118-D1292 PolarHBondContact OG-OD1 3.1Å; S1118-D1292 PolarHBondContact OG-OD2 3.04Å | ||
| 1119 | T | 65.7 | Low | 46.4 | Very low | 94 Ų | 94 | 91.9 Ų | 91.9 | 58% | 0.577 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 146.5 | 173.2 | 47.5 | 0 | 0 | 0 | 0 | 109.3 | I1117 R1209 | I1117-T1119 PolarHBondContact O-N 3.04Å; T1119-R1209 PolarHBondContact O-NH1 3.08Å; T1119-R1209 PolarHBondContact O-NH2 3.46Å |
| 1120 | P | 72 | Confident | 47 | Very low | 56 Ų | 56 | 93.2 Ų | 93.2 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 146.7 | 177.5 | 22.2 | -32.9 | 0 | 0 | 0 | 111.7 | R1209 S1275 V1288 | P1120-R1209 PolarHBondContact O-NH2 3.49Å; P1120-S1275 WeakPolarHBondContact CA-OG 3.31Å; P1120-V1288 HydrophobicContact CB-CG1 3.64Å; P1120-V1288 HydrophobicContact CG-CG1 4.37Å |
| 1121 | I | 76.5 | Confident | 47.8 | Very low | 1 Ų | 1 | 88.3 Ų | 88.3 | 1% | 0.005 | 51% | 0.512 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 130.3 | 166.2 | -56.9 | 164.7 | 0 | 0 | 0 | 106.7 | S1123 V1206 A1223 T1273 S1275 Y1277 | I1121-S1123 PolarHBondContact O-N 3.16Å; I1121-V1206 HydrophobicContact CB-CG1 4.18Å; I1121-V1206 HydrophobicContact CD1-CG1 4.39Å; I1121-V1206 HydrophobicContact CG2-CG1 3.7Å; I1121-A1223 HydrophobicContact CG2-CB 3.79Å; I1121-T1273 HydrophobicContact CD1-CG2 4.19Å; I1121-T1273 VanDerWaalsContact CD1-O 3.27Å; I1121-T1273 WeakPolarHBondContact CD1-O 3.47Å; I1121-T1273 HydrophobicContact CG1-CG2 4.18Å; I1121-S1275 PolarHBondContact N-OG 2.85Å; I1121-Y1277 PolarHBondContact O-OH 3.43Å |
| 1122 | K | 70.9 | Confident | 48.3 | Very low | 142 Ų | 142 | 90.9 Ų | 90.9 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 126.1 | -179.7 | -66.4 | 168.3 | -173.5 | 155 | 0 | 109.7 | D1220 | K1122-D1220 IonicContact NZ-OD2 2.71Š|
| 1123 | S | 65.5 | Low | 49.2 | Very low | 15 Ų | 15 | 85.6 Ų | 85.6 | 11% | 0.105 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 142.7 | 172.9 | 163.5 | 0 | 0 | 0 | 0 | 110.8 | I1121 R1125 T1126 E1204 Y1277 | I1121-S1123 PolarHBondContact O-N 3.16Å; S1123-R1125 VanDerWaalsContact C-N 3.28Å; S1123-R1125 PolarHBondContact OG-N 3.43Å; S1123-R1125 VanDerWaalsContact OG-N 3.13Å; S1123-T1126 VanDerWaalsContact CB-O 3.29Å; S1123-T1126 WeakPolarHBondContact CB-O 3.45Å; S1123-T1126 WeakPolarHBondContact CB-OG1 3.23Å; S1123-T1126 PolarHBondContact OG-N 3.09Å; S1123-T1126 PolarHBondContact OG-O 2.95Å; S1123-T1126 PolarHBondContact OG-OG1 3.27Å; S1123-E1204 WeakPolarHBondContact CA-OE2 3.3Å; S1123-E1204 WeakPolarHBondContact CB-OE2 3.22Å; S1123-E1204 PolarHBondContact OG-OE2 3.23Å; S1123-Y1277 VanDerWaalsContact CB-CZ 3.5Å; S1123-Y1277 PolarHBondContact N-OH 2.97Å; S1123-Y1277 VanDerWaalsContact N-OH 3.09Å |
| 1124 | S | 56.5 | Low | 50.6 | Low | 83 Ų | 83 | 88.1 Ų | 88.1 | 58% | 0.58 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -80.9 | -12.7 | 175.6 | 73 | 0 | 0 | 0 | 0 | 112.9 | E1204 | S1124-E1204 PolarHBondContact N-OE2 3.37Å; S1124-E1204 PolarHBondContact OG-OE1 2.85Å |
| 1125 | R | 54.2 | Low | 51.9 | Low | 134 Ų | 134 | 84.7 Ų | 84.7 | 51% | 0.506 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -119.6 | -21.8 | -170.1 | -64.9 | 174.2 | 177.7 | -167.6 | -4.4 | 113.8 | L410 S1123 | L410-R1125 HydrophobicContact CD1-CB 4.36Å; L410-R1125 HydrophobicContact CD2-CB 4.09Å; L410-R1125 HydrophobicContact CD2-CG 4.15Å; S1123-R1125 VanDerWaalsContact C-N 3.28Å; S1123-R1125 PolarHBondContact OG-N 3.43Å; S1123-R1125 VanDerWaalsContact OG-N 3.13Å |
| 1126 | T | 48.1 | Very low | 53.5 | Low | 49 Ų | 49 | 86.3 Ų | 86.3 | 30% | 0.301 | 48% | 0.484 | S | S | . | . | trans | -132.7 | 127.3 | -176 | 66.1 | 0 | 0 | 0 | 0 | 110 | S1123 P1128 L1286 | S1123-T1126 VanDerWaalsContact CB-O 3.29Å; S1123-T1126 WeakPolarHBondContact CB-O 3.45Å; S1123-T1126 WeakPolarHBondContact CB-OG1 3.23Å; S1123-T1126 PolarHBondContact OG-N 3.09Å; S1123-T1126 PolarHBondContact OG-O 2.95Å; S1123-T1126 PolarHBondContact OG-OG1 3.27Å; T1126-P1128 VanDerWaalsContact O-CD 3.24Å; T1126-P1128 WeakPolarHBondContact O-CD 3.35Å; T1126-L1286 HydrophobicContact CG2-CD1 4.12Å | ||
| 1127 | S | 37.7 | Very low | 54.9 | Low | 121 Ų | 121 | 82 Ų | 82 | 85% | 0.846 | 46% | 0.464 | S | S | * | . | trans | -85.3 | 112.3 | 176.5 | -73.1 | 0 | 0 | 0 | 0 | 110 | L1129 | S1127-L1129 PolarHBondContact O-N 2.89Š| ||
| 1128 | P | 39.3 | Very low | 56 | Low | 75 Ų | 75 | 81.6 Ų | 81.6 | 49% | 0.487 | 46% | 0.455 | S | S | . | . | trans | -68.3 | 115.2 | 175.4 | 27.6 | -33.5 | 0 | 0 | 0 | 109.9 | T1126 | T1126-P1128 VanDerWaalsContact O-CD 3.24Å; T1126-P1128 WeakPolarHBondContact O-CD 3.35Å | ||
| 1129 | L | 42.2 | Very low | 57.1 | Low | 121 Ų | 121 | 81.8 Ų | 81.8 | 63% | 0.634 | 46% | 0.456 | S | S | * | . | trans | -63.6 | 129.8 | 169.9 | -77.8 | 164 | 0 | 0 | 0 | 109.1 | S1127 S1131 | S1127-L1129 PolarHBondContact O-N 2.89Å; L1129-S1131 PolarHBondContact O-N 2.82Å; L1129-S1131 VanDerWaalsContact O-N 3.08Å | ||
| 1130 | P | 41.5 | Very low | 57.9 | Low | 116 Ų | 116 | 82 Ų | 82 | 75% | 0.753 | 45% | 0.449 | S | S | * | . | trans | -63.4 | 115 | -178.7 | 23.9 | -32.8 | 0 | 0 | 0 | 110.7 | I1132 | P1130-I1132 PolarHBondContact O-N 2.83Š| ||
| 1131 | S | 40.7 | Very low | 58.5 | Low | 68 Ų | 68 | 80.2 Ų | 80.2 | 48% | 0.476 | 44% | 0.436 | S | S | . | . | trans | -79.6 | 37.1 | -166.9 | 52 | 0 | 0 | 0 | 0 | 114.9 | L1129 S1133 | L1129-S1131 PolarHBondContact O-N 2.82Å; L1129-S1131 VanDerWaalsContact O-N 3.08Å; S1131-S1133 PolarHBondContact O-N 3.12Å | ||
| 1132 | I | 39.4 | Very low | 59 | Low | 150 Ų | 150 | 82.4 Ų | 82.4 | 77% | 0.769 | 45% | 0.448 | S | S | * | . | trans | -79.2 | 71.2 | 172.5 | -49.1 | -179.1 | 0 | 0 | 0 | 109.1 | P1130 | P1130-I1132 PolarHBondContact O-N 2.83Š| ||
| 1133 | S | 44.5 | Very low | 60 | Low | 31 Ų | 31 | 75.7 Ų | 75.7 | 22% | 0.217 | 42% | 0.419 | C | S | . | . | trans | -127.5 | 119.6 | 176.6 | 68.5 | 0 | 0 | 0 | 0 | 111.6 | S1131 N1135 K1336 | S1131-S1133 PolarHBondContact O-N 3.12Å; S1133-N1135 PolarHBondContact O-N 3.35Å; S1133-K1336 PolarHBondContact O-NZ 2.96Å | ||
| 1134 | H | 54.8 | Low | 61.2 | Low | 178 Ų | 178 | 75.4 Ų | 75.4 | 82% | 0.824 | 42% | 0.416 | S | S | * | . | trans | -78.1 | 41.3 | 171 | -63.2 | -83.1 | 0 | 0 | 0 | 111.5 | ||||
| 1135 | N | 60.7 | Low | 63 | Low | 30 Ų | 30 | 71.4 Ų | 71.4 | 16% | 0.16 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -75 | 143.3 | 177.9 | -66.7 | 12.6 | 0 | 0 | 0 | 109.2 | S1133 V1137 K1336 E1337 | S1133-N1135 PolarHBondContact O-N 3.35Å; N1135-V1137 PolarHBondContact O-N 3.5Å; N1135-K1336 HydrophobicContact CB-CB 4.06Å; N1135-K1336 HydrophobicContact CB-CD 4.43Å; N1135-E1337 VanDerWaalsContact CB-O 3.3Å; N1135-E1337 WeakPolarHBondContact CB-O 3.07Å; N1135-E1337 PolarHBondContact ND2-O 2.82Å |
| 1136 | P | 66.6 | Low | 64.8 | Low | 69 Ų | 69 | 65.9 Ų | 65.9 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 134.9 | -178.2 | 27.4 | -34.8 | 0 | 0 | 0 | 110.4 | R1138 K1336 E1337 | P1136-R1138 PolarHBondContact O-N 3.29Å; P1136-K1336 CarbonylContact O-C 3.41Å; P1136-K1336 VanDerWaalsContact O-CA 3.26Å; P1136-K1336 WeakPolarHBondContact O-CA 3.28Å; P1136-E1337 HydrophobicContact CG-CB 4.08Å; P1136-E1337 HydrophobicContact CG-CG 4.18Å; P1136-E1337 VanDerWaalsContact CG-OE2 3.28Å; P1136-E1337 WeakPolarHBondContact CG-OE2 3.34Å; P1136-E1337 PolarHBondContact O-N 3.22Å |
| 1137 | V | 70.7 | Confident | 67 | Low | 64 Ų | 64 | 63.6 Ų | 63.6 | 39% | 0.388 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 118.1 | 173.6 | 178.1 | 0 | 0 | 0 | 0 | 108.1 | N1135 C1139 K1140 L1334 L1335 K1336 | N1135-V1137 PolarHBondContact O-N 3.5Å; V1137-C1139 WeakPolarHBondContact CG1-O 3.39Å; V1137-K1140 HydrophobicContact CG1-CG 4Å; V1137-L1334 HydrophobicContact CG1-CB 4.35Å; V1137-L1334 HydrophobicContact CG1-CD2 4.32Å; V1137-L1335 CarbonylContact C-O 3.6Å; V1137-K1336 HydrophobicContact CG2-CG 3.9Å |
| 1138 | R | 75 | Confident | 69.7 | Low | 95 Ų | 95 | 58 Ų | 58 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -36.3 | -176.1 | -178 | 61.7 | -175.3 | 73.2 | 5.3 | 113 | P1136 L1335 E1337 Y1546 | P1136-R1138 PolarHBondContact O-N 3.29Å; R1138-L1335 PolarHBondContact N-O 3.49Å; R1138-E1337 HydrophobicContact CB-CG 4.3Å; R1138-Y1546 HydrophobicContact CB-CD1 4.44Å; R1138-Y1546 HydrophobicContact CB-CE1 3.94Å; R1138-Y1546 HydrophobicContact CG-CE1 3.75Å |
| 1139 | C | 75.9 | Confident | 72.3 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 17% | 0.169 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 168.1 | 176 | 53 | 0 | 0 | 0 | 0 | 111.2 | V1137 L1335 | V1137-C1139 WeakPolarHBondContact CG1-O 3.39Å; C1139-L1335 PolarHBondContact O-N 2.72Å |
| 1140 | K | 83.2 | Confident | 74.7 | Confident | 99 Ų | 99 | 48.7 Ų | 48.7 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 141.6 | -175.9 | -63.7 | -171.9 | 159.4 | -150.1 | 0 | 110.6 | V1137 E1332 L1333 L1334 | V1137-K1140 HydrophobicContact CG1-CG 4Å; K1140-E1332 WeakPolarHBondContact CD-OE1 3.36Å; K1140-E1332 WeakPolarHBondContact CE-OE1 3.41Å; K1140-E1332 IonicContact NZ-OE1 2.69Å; K1140-E1332 PolarHBondContact NZ-OE1 3.1Å; K1140-L1333 WeakPolarHBondContact CA-O 3.46Å; K1140-L1334 HydrophobicContact CD-CD2 4.03Å; K1140-L1334 HydrophobicContact CG-CD2 3.75Å |
| 1141 | H | 85 | Confident | 77 | Confident | 19 Ų | 19 | 43.7 Ų | 43.7 | 9% | 0.088 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 131.7 | 177.1 | -54.8 | 95.8 | 0 | 0 | 0 | 110.9 | L1143 L1197 L1333 | H1141-L1143 HydrophobicContact CB-CD2 4.25Å; H1141-L1197 HydrophobicContact CB-CD2 4.05Å; H1141-L1333 HydrophobicContact CB-CB 4.46Å; H1141-L1333 PolarHBondContact N-O 2.96Å; H1141-L1333 PolarHBondContact O-N 2.9Å |
| 1142 | D | 87.2 | Confident | 79.3 | Confident | 47 Ų | 47 | 43.1 Ų | 43.1 | 25% | 0.251 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 126.2 | 167.5 | -74.4 | -74.4 | 0 | 0 | 0 | 109 | N1603 | D1142-N1603 PolarHBondContact OD1-ND2 3.4Å; D1142-N1603 VanDerWaalsContact OD1-ND2 3.13Å; D1142-N1603 VanDerWaalsContact OD2-CB 3.26Å; D1142-N1603 WeakPolarHBondContact OD2-CB 3.15Å; D1142-N1603 PolarHBondContact OD2-ND2 3.21Å |
| 1143 | L | 90.3 | Very high | 81.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127.1 | 179.8 | -48.7 | -178.9 | 0 | 0 | 0 | 110.7 | H1141 H1191 L1197 W1199 Y1331 L1333 | H1141-L1143 HydrophobicContact CB-CD2 4.25Å; L1143-H1191 HydrophobicContact CD2-CB 3.73Å; L1143-L1197 HydrophobicContact CD2-CD2 4.18Å; L1143-W1199 HydrophobicContact CD1-CH2 3.82Å; L1143-W1199 HydrophobicContact CD1-CZ2 3.85Å; L1143-W1199 HydrophobicContact CD2-CZ2 4.12Å; L1143-Y1331 PolarHBondContact N-O 3.05Å; L1143-Y1331 PolarHBondContact O-N 2.93Å; L1143-L1333 HydrophobicContact CD1-CB 3.9Å; L1143-L1333 HydrophobicContact CD1-CD2 4.39Å; L1143-L1333 HydrophobicContact CG-CB 4.16Å |
| 1144 | L | 92.3 | Very high | 83 | Confident | 9 Ų | 9 | 42.7 Ų | 42.7 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 125.4 | 167.6 | 173.8 | 64.4 | 0 | 0 | 0 | 108.4 | C1190 I1598 V1601 | L1144-C1190 HydrophobicContact CB-CB 4.28Å; L1144-C1190 PolarHBondContact N-O 3.3Å; L1144-C1190 WeakPolarHBondContact O-CA 3.43Å; L1144-C1190 WeakPolarHBondContact O-CB 3.34Å; L1144-C1190 PolarHBondContact O-N 3.06Å; L1144-I1598 HydrophobicContact CD1-CB 4.23Å; L1144-I1598 HydrophobicContact CD1-CG2 4.03Å; L1144-I1598 HydrophobicContact CD2-CG2 4.33Å; L1144-V1601 HydrophobicContact CD1-CG2 4.2Å; L1144-V1601 HydrophobicContact CD2-CG2 4.43Å |
| 1145 | V | 93.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.2 | -178.6 | -174 | 0 | 0 | 0 | 0 | 110.2 | F1147 V1187 T1188 I1189 S1328 G1329 Y1331 | V1145-F1147 HydrophobicContact CB-CE2 3.93Å; V1145-F1147 HydrophobicContact CB-CZ 4.28Å; V1145-F1147 HydrophobicContact CG1-CD2 4.21Å; V1145-F1147 HydrophobicContact CG1-CE1 4.29Å; V1145-F1147 HydrophobicContact CG1-CE2 3.63Å; V1145-F1147 HydrophobicContact CG1-CZ 3.68Å; V1145-V1187 HydrophobicContact CG1-CG1 3.63Å; V1145-T1188 CarbonylContact C-O 3.57Å; V1145-T1188 VanDerWaalsContact CA-O 3.3Å; V1145-T1188 WeakPolarHBondContact CA-O 3.42Å; V1145-I1189 HydrophobicContact CG1-CG1 4.3Å; V1145-I1189 HydrophobicContact CG2-CG1 4.24Å; V1145-I1189 HydrophobicContact CG2-CG2 4.43Å; V1145-S1328 CarbonylContact O-C 3.21Å; V1145-S1328 WeakPolarHBondContact O-CA 3.43Å; V1145-G1329 PolarHBondContact N-O 2.97Å; V1145-G1329 PolarHBondContact O-N 2.93Å; V1145-Y1331 HydrophobicContact CB-CD2 4.28Å; V1145-Y1331 HydrophobicContact CB-CE2 3.97Å; V1145-Y1331 HydrophobicContact CG2-CD2 3.69Å; V1145-Y1331 HydrophobicContact CG2-CE2 3.82Å |
| 1146 | H | 93.4 | Very high | 85.1 | Confident | 18 Ų | 18 | 39.2 Ų | 39.2 | 8% | 0.083 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.6 | 172.8 | -58.2 | 102.6 | 0 | 0 | 0 | 110.3 | V1187 T1188 K1326 I1598 | H1146-V1187 WeakPolarHBondContact O-CA 3.47Å; H1146-T1188 PolarHBondContact N-O 2.85Å; H1146-T1188 PolarHBondContact O-N 2.73Å; H1146-K1326 HydrophobicContact CB-CD 4.36Å; H1146-I1598 PolarHBondContact NE2-O 3.29Å |
| 1147 | F | 94 | Very high | 86 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.9 | 174.4 | -59.6 | -95.3 | 0 | 0 | 0 | 109 | V1145 V1187 I1274 I1276 I1289 K1291 L1293 K1326 V1327 Y1331 | V1145-F1147 HydrophobicContact CB-CE2 3.93Å; V1145-F1147 HydrophobicContact CB-CZ 4.28Å; V1145-F1147 HydrophobicContact CG1-CD2 4.21Å; V1145-F1147 HydrophobicContact CG1-CE1 4.29Å; V1145-F1147 HydrophobicContact CG1-CE2 3.63Å; V1145-F1147 HydrophobicContact CG1-CZ 3.68Å; F1147-V1187 HydrophobicContact CD1-CG2 4.37Å; F1147-I1274 HydrophobicContact CD1-CG2 4.4Å; F1147-I1274 HydrophobicContact CE1-CG2 4.16Å; F1147-I1276 HydrophobicContact CE1-CD1 3.86Å; F1147-I1289 HydrophobicContact CZ-CG2 4.33Å; F1147-K1291 HydrophobicContact CD2-CG 4.35Å; F1147-K1291 HydrophobicContact CE1-CB 4Å; F1147-K1291 HydrophobicContact CE1-CG 4.48Å; F1147-K1291 HydrophobicContact CE2-CB 4.15Å; F1147-K1291 HydrophobicContact CE2-CG 4Å; F1147-K1291 HydrophobicContact CZ-CB 3.7Å; F1147-K1291 HydrophobicContact CZ-CG 4.08Å; F1147-L1293 HydrophobicContact CB-CD2 4.32Å; F1147-L1293 HydrophobicContact CG-CD2 4.4Å; F1147-K1326 CarbonylContact O-C 3.53Å; F1147-K1326 WeakPolarHBondContact O-CA 3.42Å; F1147-V1327 PolarHBondContact N-O 2.85Å; F1147-V1327 PolarHBondContact O-N 3.31Å; F1147-Y1331 HydrophobicContact CE2-CE2 4.35Å; F1147-Y1331 HydrophobicContact CZ-CE2 4.43Å |
| 1148 | E | 93.8 | Very high | 86.8 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 138.4 | -177.3 | 179.4 | -179.6 | 162.4 | 0 | 0 | 108.9 | C1150 S1160 V1185 R1186 K1326 | E1148-C1150 PolarHBondContact OE1-SG 2.9Å; E1148-S1160 WeakPolarHBondContact OE1-CB 3.5Å; E1148-S1160 PolarHBondContact OE1-OG 2.91Å; E1148-V1185 CarbonylContact O-C 3.54Å; E1148-V1185 WeakPolarHBondContact O-CA 3.37Å; E1148-R1186 HydrophobicContact CB-CB 4.17Å; E1148-R1186 PolarHBondContact N-O 3.49Å; E1148-R1186 PolarHBondContact O-N 3.29Å; E1148-R1186 IonicContact OE1-CZ 3.32Å; E1148-R1186 IonicContact OE1-NH1 3.62Å; E1148-R1186 PolarHBondContact OE1-NH1 3.35Å; E1148-R1186 WeakPolarHBondContact OE2-CD 3.33Å; E1148-R1186 IonicContact OE2-NH1 2.68Å; E1148-K1326 HydrophobicContact CB-CG 4.15Å; E1148-K1326 HydrophobicContact CG-CG 4.23Å; E1148-K1326 WeakPolarHBondContact OE2-CD 3.1Å; E1148-K1326 WeakPolarHBondContact OE2-CE 3.31Å; E1148-K1326 IonicContact OE2-NZ 2.96Å; E1148-K1326 PolarHBondContact OE2-NZ 3.42Å |
| 1149 | I | 93.5 | Very high | 87.2 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 119.4 | 175 | -58.8 | -179.6 | 0 | 0 | 0 | 106.7 | A1161 F1175 L1177 R1183 R1184 V1185 W1250 | I1149-A1161 VanDerWaalsContact O-CB 3.23Å; I1149-A1161 WeakPolarHBondContact O-CB 3.41Å; I1149-A1161 PolarHBondContact O-N 2.91Å; I1149-F1175 HydrophobicContact CB-CD1 3.82Å; I1149-F1175 HydrophobicContact CB-CE1 3.91Å; I1149-F1175 HydrophobicContact CD1-CB 4.31Å; I1149-F1175 HydrophobicContact CD1-CD1 3.85Å; I1149-F1175 HydrophobicContact CD1-CD2 3.85Å; I1149-F1175 HydrophobicContact CD1-CE1 4.09Å; I1149-F1175 HydrophobicContact CD1-CE2 4.08Å; I1149-F1175 HydrophobicContact CD1-CG 3.74Å; I1149-F1175 HydrophobicContact CD1-CZ 4.2Å; I1149-F1175 HydrophobicContact CG1-CD1 3.86Å; I1149-F1175 HydrophobicContact CG1-CE1 3.74Å; I1149-F1175 HydrophobicContact CG1-CE2 4.41Å; I1149-F1175 HydrophobicContact CG1-CG 4.27Å; I1149-F1175 HydrophobicContact CG1-CZ 4.02Å; I1149-L1177 HydrophobicContact CG2-CD2 3.94Å; I1149-R1183 HydrophobicContact CG2-CB 4.38Å; I1149-R1184 CarbonylContact C-O 3.53Å; I1149-R1184 WeakPolarHBondContact CA-O 3.11Å; I1149-V1185 HydrophobicContact CG1-CG2 4.45Å; I1149-W1250 HydrophobicContact CD1-CE3 4.5Å; I1149-W1250 HydrophobicContact CD1-CZ3 3.94Å; I1149-W1250 HydrophobicContact CG2-CE3 4.1Å; I1149-W1250 HydrophobicContact CG2-CZ3 4.05Å |
| 1150 | C | 92.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 133.5 | 179.4 | -55.2 | 0 | 0 | 0 | 0 | 110.1 | E1148 Y1158 S1159 R1183 R1184 | E1148-C1150 PolarHBondContact OE1-SG 2.9Å; C1150-Y1158 HydrophobicContact CB-CD1 4.36Å; C1150-S1159 CarbonylContact C-O 3.55Å; C1150-S1159 WeakPolarHBondContact CA-O 3.24Å; C1150-R1183 CarbonylContact O-C 3.18Å; C1150-R1183 WeakPolarHBondContact O-CA 3.09Å; C1150-R1183 WeakPolarHBondContact O-CB 3.35Å; C1150-R1184 PolarHBondContact N-O 3.18Å; C1150-R1184 PolarHBondContact O-N 2.71Å |
| 1151 | E | 90.2 | Very high | 88 | Confident | 10 Ų | 10 | 35.8 Ų | 35.8 | 5% | 0.047 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 141 | 171.6 | -72.2 | -168.8 | 149.3 | 0 | 0 | 110.6 | A1153 S1159 A1161 L1177 H1178 I1181 R1183 | E1151-A1153 PolarHBondContact O-N 2.97Å; E1151-S1159 PolarHBondContact N-O 2.93Å; E1151-S1159 PolarHBondContact O-N 3.48Å; E1151-S1159 PolarHBondContact O-OG 3.15Å; E1151-S1159 VanDerWaalsContact O-OG 3.06Å; E1151-A1161 HydrophobicContact CG-CB 4.08Å; E1151-L1177 HydrophobicContact CG-CD2 4.33Å; E1151-L1177 VanDerWaalsContact OE1-CA 3.27Å; E1151-L1177 WeakPolarHBondContact OE1-CA 3.28Å; E1151-L1177 WeakPolarHBondContact OE1-CB 3.34Å; E1151-H1178 PolarHBondContact OE1-N 3.2Å; E1151-H1178 IonicContact OE2-CE1 2.68Å; E1151-H1178 IonicContact OE2-CG 3.43Å; E1151-H1178 PolarHBondContact OE2-N 3.48Å; E1151-H1178 IonicContact OE2-ND1 3.54Å; E1151-H1178 PolarHBondContact OE2-ND1 2.9Å; E1151-I1181 HydrophobicContact CB-CG2 3.98Å; E1151-I1181 HydrophobicContact CG-CG2 4.46Å; E1151-R1183 HydrophobicContact CG-CG 4.1Å; E1151-R1183 IonicContact OE1-CZ 3.32Å; E1151-R1183 IonicContact OE1-NE 2.81Å; E1151-R1183 PolarHBondContact OE1-NE 2.84Å; E1151-R1183 IonicContact OE1-NH2 2.67Å; E1151-R1183 PolarHBondContact OE1-NH2 3.48Å |
| 1152 | L | 89 | Confident | 88.1 | Confident | 57 Ų | 57 | 39.9 Ų | 39.9 | 30% | 0.298 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 114.7 | 176.7 | -175.9 | 65.8 | 0 | 0 | 0 | 110.8 | G1156 Y1158 I1181 Q1182 | L1152-G1156 VanDerWaalsContact CD1-O 3.28Å; L1152-G1156 WeakPolarHBondContact CD1-O 3.22Å; L1152-Y1158 HydrophobicContact CB-CD1 4.48Å; L1152-Y1158 HydrophobicContact CB-CE1 4.15Å; L1152-Y1158 HydrophobicContact CD1-CD2 4.14Å; L1152-Y1158 HydrophobicContact CD1-CE2 3.85Å; L1152-I1181 HydrophobicContact CB-CG2 4.1Å; L1152-I1181 WeakPolarHBondContact O-CG2 3.43Å; L1152-Q1182 HydrophobicContact CB-CB 4.41Å; L1152-Q1182 HydrophobicContact CD2-CB 4.44Å; L1152-Q1182 PolarHBondContact N-O 3.48Å |
| 1153 | A | 83.7 | Confident | 88.1 | Confident | 22 Ų | 22 | 37.9 Ų | 37.9 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | trans | -80.4 | 161.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1151 S1155 G1156 E1157 | E1151-A1153 PolarHBondContact O-N 2.97Å; A1153-S1155 PolarHBondContact O-N 2.72Å; A1153-G1156 PolarHBondContact O-N 3.36Å; A1153-E1157 WeakPolarHBondContact CB-O 3.42Å; A1153-E1157 PolarHBondContact N-O 2.84Å | ||
| 1154 | P | 77.8 | Confident | 87.9 | Confident | 149 Ų | 149 | 40.9 Ų | 40.9 | 97% | 0.968 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -12.1 | 174 | -25.4 | 35.7 | 0 | 0 | 0 | 115.5 | G1156 | P1154-G1156 VanDerWaalsContact C-N 3.3Š|
| 1155 | S | 81.4 | Confident | 87.5 | Confident | 84 Ų | 84 | 42.9 Ų | 42.9 | 59% | 0.587 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -10.9 | 170.9 | 55.9 | 0 | 0 | 0 | 0 | 114.1 | A1153 E1157 | A1153-S1155 PolarHBondContact O-N 2.72Å; S1155-E1157 VanDerWaalsContact C-N 3.31Å; S1155-E1157 PolarHBondContact OG-N 2.93Å |
| 1156 | G | 79.2 | Confident | 86.7 | Confident | 52 Ų | 52 | 45.3 Ų | 45.3 | 54% | 0.536 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 85.6 | -2.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1152 A1153 P1154 | L1152-G1156 VanDerWaalsContact CD1-O 3.28Å; L1152-G1156 WeakPolarHBondContact CD1-O 3.22Å; A1153-G1156 PolarHBondContact O-N 3.36Å; P1154-G1156 VanDerWaalsContact C-N 3.3Å |
| 1157 | E | 84.3 | Confident | 85.5 | Confident | 141 Ų | 141 | 53 Ų | 53 | 66% | 0.659 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -92.1 | 150.8 | 177.8 | -61.7 | -177.7 | 134.7 | 0 | 0 | 112.2 | A1153 S1155 S1159 | A1153-E1157 WeakPolarHBondContact CB-O 3.42Å; A1153-E1157 PolarHBondContact N-O 2.84Å; S1155-E1157 VanDerWaalsContact C-N 3.31Å; S1155-E1157 PolarHBondContact OG-N 2.93Å; E1157-S1159 PolarHBondContact O-N 3.38Å |
| 1158 | Y | 87.4 | Confident | 84.4 | Confident | 53 Ų | 53 | 58.6 Ų | 58.6 | 21% | 0.208 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 107.8 | 176.1 | -79.9 | -90.6 | 0 | 0 | 0 | 110.9 | C1150 L1152 Q1182 R1184 | C1150-Y1158 HydrophobicContact CB-CD1 4.36Å; L1152-Y1158 HydrophobicContact CB-CD1 4.48Å; L1152-Y1158 HydrophobicContact CB-CE1 4.15Å; L1152-Y1158 HydrophobicContact CD1-CD2 4.14Å; L1152-Y1158 HydrophobicContact CD1-CE2 3.85Å; Y1158-Q1182 HydrophobicContact CE1-CG 4.49Å; Y1158-Q1182 WeakPolarHBondContact OH-CG 3.08Å; Y1158-Q1182 PolarHBondContact OH-NE2 2.66Å; Y1158-Q1182 PolarHBondContact OH-OE1 2.83Å; Y1158-R1184 HydrophobicContact CD1-CB 4.29Å; Y1158-R1184 HydrophobicContact CD1-CG 3.74Å; Y1158-R1184 HydrophobicContact CE1-CG 3.72Å; Y1158-R1184 HydrophobicContact CG-CG 4.2Å |
| 1159 | S | 84.4 | Confident | 83.4 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 41% | 0.413 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 135.4 | -176.4 | 66.9 | 0 | 0 | 0 | 0 | 112.1 | C1150 E1151 E1157 A1161 | C1150-S1159 CarbonylContact C-O 3.55Å; C1150-S1159 WeakPolarHBondContact CA-O 3.24Å; E1151-S1159 PolarHBondContact N-O 2.93Å; E1151-S1159 PolarHBondContact O-N 3.48Å; E1151-S1159 PolarHBondContact O-OG 3.15Å; E1151-S1159 VanDerWaalsContact O-OG 3.06Å; E1157-S1159 PolarHBondContact O-N 3.38Å; S1159-A1161 PolarHBondContact O-N 2.82Å |
| 1160 | S | 87.9 | Confident | 82.5 | Confident | 19 Ų | 19 | 60.4 Ų | 60.4 | 13% | 0.133 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 118.2 | -177.4 | -38.4 | 0 | 0 | 0 | 0 | 111.2 | E1148 N1325 | E1148-S1160 WeakPolarHBondContact OE1-CB 3.5Å; E1148-S1160 PolarHBondContact OE1-OG 2.91Å; S1160-N1325 PolarHBondContact O-ND2 3.4Å |
| 1161 | A | 87.7 | Confident | 82 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 6% | 0.058 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 149.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1149 E1151 S1159 V1163 L1177 N1325 | I1149-A1161 VanDerWaalsContact O-CB 3.23Å; I1149-A1161 WeakPolarHBondContact O-CB 3.41Å; I1149-A1161 PolarHBondContact O-N 2.91Å; E1151-A1161 HydrophobicContact CG-CB 4.08Å; S1159-A1161 PolarHBondContact O-N 2.82Å; A1161-V1163 PolarHBondContact O-N 2.79Å; A1161-L1177 HydrophobicContact CB-CD2 3.58Å; A1161-N1325 VanDerWaalsContact O-CB 3.28Å; A1161-N1325 WeakPolarHBondContact O-CB 3.49Å; A1161-N1325 PolarHBondContact O-ND2 2.83Å |
| 1162 | F | 87.9 | Confident | 81.7 | Confident | 106 Ų | 106 | 63.7 Ų | 63.7 | 47% | 0.465 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 132.9 | -171.7 | -172.9 | -84.4 | 0 | 0 | 0 | 112.5 | L1176 | F1162-L1176 HydrophobicContact CD1-CD1 3.6Å; F1162-L1176 HydrophobicContact CD1-CG 4Å; F1162-L1176 HydrophobicContact CE1-CD1 4.14Å; F1162-L1176 PolarHBondContact O-N 3.04Å |
| 1163 | V | 87.2 | Confident | 81.5 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.03 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119.9 | 177 | -175 | 0 | 0 | 0 | 0 | 111.1 | A1161 H1165 F1175 N1325 V1327 | A1161-V1163 PolarHBondContact O-N 2.79Å; V1163-H1165 VanDerWaalsContact CG1-CE1 3.44Å; V1163-H1165 WeakPolarHBondContact CG1-CE1 3.32Å; V1163-H1165 PolarHBondContact O-CD2 3.35Å; V1163-H1165 PolarHBondContact O-N 3.43Å; V1163-F1175 HydrophobicContact CG2-CD1 3.55Å; V1163-F1175 HydrophobicContact CG2-CE1 3.5Å; V1163-F1175 HydrophobicContact CG2-CG 4.31Å; V1163-F1175 HydrophobicContact CG2-CZ 4.23Å; V1163-N1325 HydrophobicContact CG2-CB 4.4Å; V1163-V1327 HydrophobicContact CG1-CG2 3.76Å |
| 1164 | S | 86 | Confident | 81.8 | Confident | 62 Ų | 62 | 61.2 Ų | 61.2 | 43% | 0.434 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 102.6 | 169.7 | -166.1 | 0 | 0 | 0 | 0 | 109.9 | G1173 V1174 | S1164-G1173 WeakPolarHBondContact O-CA 3.02Å; S1164-V1174 PolarHBondContact N-O 3.25Å; S1164-V1174 PolarHBondContact O-N 2.95Å |
| 1165 | H | 83.3 | Confident | 82.5 | Confident | 51 Ų | 51 | 54.1 Ų | 54.1 | 24% | 0.236 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 145.6 | -176.3 | -70.1 | -75.9 | 0 | 0 | 0 | 113.4 | V1163 R1324 K1326 P1596 | V1163-H1165 VanDerWaalsContact CG1-CE1 3.44Å; V1163-H1165 WeakPolarHBondContact CG1-CE1 3.32Å; V1163-H1165 PolarHBondContact O-CD2 3.35Å; V1163-H1165 PolarHBondContact O-N 3.43Å; H1165-R1324 PolarHBondContact NE2-O 3.5Å; H1165-K1326 PolarHBondContact CE1-O 2.84Å; H1165-K1326 VanDerWaalsContact CE1-O 3.24Å; H1165-P1596 HydrophobicContact CB-CB 3.94Å; H1165-P1596 WeakPolarHBondContact CD2-CG 3.17Å |
| 1166 | S | 75.8 | Confident | 82.9 | Confident | 52 Ų | 52 | 50.5 Ų | 50.5 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | trans | -91.5 | 135.7 | 172.6 | 99.6 | 0 | 0 | 0 | 0 | 111.6 | N1168 A1169 D1172 | S1166-N1168 PolarHBondContact O-N 2.78Å; S1166-A1169 WeakPolarHBondContact OG-CA 3.45Å; S1166-A1169 PolarHBondContact OG-N 3.36Å; S1166-A1169 PolarHBondContact OG-O 2.8Å; S1166-D1172 PolarHBondContact N-O 3.14Å | ||
| 1167 | Q | 68.5 | Low | 83.5 | Confident | 178 Ų | 178 | 48 Ų | 48 | 83% | 0.832 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -69.5 | -22.6 | 177.2 | -66 | -171.9 | -15.1 | 0 | 0 | 113.1 | ||
| 1168 | N | 70.2 | Confident | 83.7 | Confident | 120 Ų | 120 | 43.1 Ų | 43.1 | 64% | 0.642 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -94.4 | -34.7 | -171.9 | -68.5 | -16.7 | 0 | 0 | 0 | 113 | S1166 R1583 | S1166-N1168 PolarHBondContact O-N 2.78Å; N1168-R1583 PolarHBondContact O-NH1 2.96Å; N1168-R1583 PolarHBondContact O-NH2 3.02Å |
| 1169 | A | 74.2 | Confident | 83.6 | Confident | 24 Ų | 24 | 43.8 Ų | 43.8 | 20% | 0.198 | 24% | 0.241 | C | C | . | . | trans | -119.4 | 101.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | S1166 T1171 D1172 | S1166-A1169 WeakPolarHBondContact OG-CA 3.45Å; S1166-A1169 PolarHBondContact OG-N 3.36Å; S1166-A1169 PolarHBondContact OG-O 2.8Å; A1169-T1171 PolarHBondContact O-N 2.61Å; A1169-D1172 HydrophobicContact CB-CB 3.86Å; A1169-D1172 PolarHBondContact O-N 2.9Å | ||
| 1170 | P | 74.4 | Confident | 83.3 | Confident | 17 Ų | 17 | 43.8 Ų | 43.8 | 11% | 0.11 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 0.1 | -175.9 | 34.1 | -36.9 | 0 | 0 | 0 | 113.3 | L1588 I1598 | P1170-L1588 HydrophobicContact CG-CD1 3.95Å; P1170-I1598 HydrophobicContact CB-CD1 4.22Å; P1170-I1598 HydrophobicContact CB-CG1 4.45Å; P1170-I1598 HydrophobicContact CG-CD1 4.38Å |
| 1171 | T | 82.4 | Confident | 83.1 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 4.2 | 173.3 | 50.4 | 0 | 0 | 0 | 0 | 113.2 | A1169 K1291 V1327 S1328 V1555 | A1169-T1171 PolarHBondContact O-N 2.61Å; T1171-K1291 WeakPolarHBondContact O-CE 3.46Å; T1171-K1291 PolarHBondContact O-NZ 3.4Å; T1171-V1327 WeakPolarHBondContact O-CG1 3.43Å; T1171-S1328 CarbonylContact C-O 3.5Å; T1171-S1328 WeakPolarHBondContact CA-O 3.27Å; T1171-S1328 WeakPolarHBondContact CB-O 3.41Å; T1171-V1555 HydrophobicContact CG2-CG2 4.42Å |
| 1172 | D | 83.2 | Confident | 83 | Confident | 75 Ų | 75 | 49.3 Ų | 49.3 | 40% | 0.401 | 27% | 0.274 | S | S | . | . | trans | -133.9 | 116.1 | -163.2 | -60.2 | 20.7 | 0 | 0 | 0 | 109.4 | S1166 A1169 | S1166-D1172 PolarHBondContact N-O 3.14Å; A1169-D1172 HydrophobicContact CB-CB 3.86Å; A1169-D1172 PolarHBondContact O-N 2.9Å | ||
| 1173 | G | 85.4 | Confident | 83.2 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 156.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1164 | S1164-G1173 WeakPolarHBondContact O-CA 3.02Å |
| 1174 | V | 90.2 | Very high | 83.5 | Confident | 20 Ų | 20 | 47.1 Ų | 47.1 | 12% | 0.121 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 114 | 177.7 | -175 | 0 | 0 | 0 | 0 | 109.1 | S1164 L1176 T1294 V1296 | S1164-V1174 PolarHBondContact N-O 3.25Å; S1164-V1174 PolarHBondContact O-N 2.95Å; V1174-L1176 HydrophobicContact CG1-CD2 4.07Å; V1174-T1294 WeakPolarHBondContact CA-O 3.43Å; V1174-T1294 HydrophobicContact CG1-CG2 4.22Å; V1174-T1294 HydrophobicContact CG2-CG2 3.94Å; V1174-V1296 HydrophobicContact CG1-CB 4.35Å; V1174-V1296 HydrophobicContact CG1-CG2 3.67Å |
| 1175 | F | 91.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 128.2 | 173 | -67.1 | -89.9 | 0 | 0 | 0 | 109.9 | I1149 V1163 L1177 L1293 T1294 V1295 V1296 V1327 | I1149-F1175 HydrophobicContact CB-CD1 3.82Å; I1149-F1175 HydrophobicContact CB-CE1 3.91Å; I1149-F1175 HydrophobicContact CD1-CB 4.31Å; I1149-F1175 HydrophobicContact CD1-CD1 3.85Å; I1149-F1175 HydrophobicContact CD1-CD2 3.85Å; I1149-F1175 HydrophobicContact CD1-CE1 4.09Å; I1149-F1175 HydrophobicContact CD1-CE2 4.08Å; I1149-F1175 HydrophobicContact CD1-CG 3.74Å; I1149-F1175 HydrophobicContact CD1-CZ 4.2Å; I1149-F1175 HydrophobicContact CG1-CD1 3.86Å; I1149-F1175 HydrophobicContact CG1-CE1 3.74Å; I1149-F1175 HydrophobicContact CG1-CE2 4.41Å; I1149-F1175 HydrophobicContact CG1-CG 4.27Å; I1149-F1175 HydrophobicContact CG1-CZ 4.02Å; V1163-F1175 HydrophobicContact CG2-CD1 3.55Å; V1163-F1175 HydrophobicContact CG2-CE1 3.5Å; V1163-F1175 HydrophobicContact CG2-CG 4.31Å; V1163-F1175 HydrophobicContact CG2-CZ 4.23Å; F1175-L1177 HydrophobicContact CB-CD2 4.13Å; F1175-L1177 HydrophobicContact CB-CG 4.21Å; F1175-L1293 HydrophobicContact CE2-CD2 4.27Å; F1175-T1294 PolarHBondContact N-O 3.17Å; F1175-V1295 HydrophobicContact CB-CG2 4.45Å; F1175-V1295 WeakPolarHBondContact O-CA 3.46Å; F1175-V1296 PolarHBondContact O-N 2.95Å; F1175-V1327 HydrophobicContact CD2-CG2 4.46Å; F1175-V1327 HydrophobicContact CE2-CB 4.28Å; F1175-V1327 HydrophobicContact CE2-CG2 3.58Å; F1175-V1327 HydrophobicContact CZ-CB 4.16Å; F1175-V1327 HydrophobicContact CZ-CG2 3.61Å |
| 1176 | L | 90.3 | Very high | 84.4 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 113.3 | 174.1 | -46.9 | -171.7 | 0 | 0 | 0 | 108 | F1162 V1174 V1296 Y1298 L1304 A1307 | F1162-L1176 HydrophobicContact CD1-CD1 3.6Å; F1162-L1176 HydrophobicContact CD1-CG 4Å; F1162-L1176 HydrophobicContact CE1-CD1 4.14Å; F1162-L1176 PolarHBondContact O-N 3.04Å; V1174-L1176 HydrophobicContact CG1-CD2 4.07Å; L1176-V1296 HydrophobicContact CD2-CB 4.22Å; L1176-Y1298 HydrophobicContact CB-CD2 4.37Å; L1176-Y1298 HydrophobicContact CB-CE2 3.91Å; L1176-Y1298 HydrophobicContact CD1-CE2 4.34Å; L1176-Y1298 HydrophobicContact CD2-CE2 4.03Å; L1176-Y1298 HydrophobicContact CG-CE2 4.29Å; L1176-L1304 HydrophobicContact CB-CD1 4.32Å; L1176-L1304 HydrophobicContact CB-CD2 4.15Å; L1176-A1307 HydrophobicContact CD1-CB 4.42Å |
| 1177 | L | 90.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 147.1 | -168.9 | -59 | -175.1 | 0 | 0 | 0 | 111.1 | I1149 E1151 A1161 F1175 W1250 V1295 V1296 L1297 Y1298 | I1149-L1177 HydrophobicContact CG2-CD2 3.94Å; E1151-L1177 HydrophobicContact CG-CD2 4.33Å; E1151-L1177 VanDerWaalsContact OE1-CA 3.27Å; E1151-L1177 WeakPolarHBondContact OE1-CA 3.28Å; E1151-L1177 WeakPolarHBondContact OE1-CB 3.34Å; A1161-L1177 HydrophobicContact CB-CD2 3.58Å; F1175-L1177 HydrophobicContact CB-CD2 4.13Å; F1175-L1177 HydrophobicContact CB-CG 4.21Å; L1177-W1250 HydrophobicContact CD1-CH2 4.02Å; L1177-W1250 HydrophobicContact CD1-CZ3 3.74Å; L1177-V1295 HydrophobicContact CD1-CG1 3.54Å; L1177-V1295 HydrophobicContact CD1-CG2 4.39Å; L1177-V1295 HydrophobicContact CG-CG1 4.07Å; L1177-V1296 PolarHBondContact N-O 2.83Å; L1177-L1297 HydrophobicContact CB-CD2 3.91Å; L1177-L1297 CarbonylContact O-C 3.52Å; L1177-L1297 WeakPolarHBondContact O-CA 3.38Å; L1177-Y1298 PolarHBondContact O-N 2.65Å |
| 1178 | H | 88.1 | Confident | 86.5 | Confident | 38 Ų | 38 | 33.7 Ų | 33.7 | 18% | 0.176 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 125.2 | 177.1 | -56.3 | 87.6 | 0 | 0 | 0 | 111.6 | E1151 G1180 I1181 R1183 L1304 | E1151-H1178 PolarHBondContact OE1-N 3.2Å; E1151-H1178 IonicContact OE2-CE1 2.68Å; E1151-H1178 IonicContact OE2-CG 3.43Å; E1151-H1178 PolarHBondContact OE2-N 3.48Å; E1151-H1178 IonicContact OE2-ND1 3.54Å; E1151-H1178 PolarHBondContact OE2-ND1 2.9Å; H1178-G1180 PolarHBondContact O-N 3.31Å; H1178-I1181 HydrophobicContact CB-CD1 3.58Å; H1178-I1181 HydrophobicContact CB-CG1 3.9Å; H1178-I1181 PolarHBondContact O-N 2.8Å; H1178-R1183 PolarHBondContact O-NH2 2.98Å; H1178-L1304 WeakPolarHBondContact CE1-CD1 3.36Å |
| 1179 | Q | 85.8 | Confident | 87.6 | Confident | 66 Ų | 66 | 28 Ų | 28 | 31% | 0.308 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 130.1 | -180 | -167.8 | -171.9 | 13.1 | 0 | 0 | 111.7 | N1261 V1263 Y1298 | Q1179-N1261 PolarHBondContact NE2-O 2.87Å; Q1179-V1263 VanDerWaalsContact OE1-CG2 3.26Å; Q1179-Y1298 WeakPolarHBondContact CB-O 3.44Å; Q1179-Y1298 PolarHBondContact N-O 3.1Å |
| 1180 | G | 77.7 | Confident | 88.4 | Confident | 59 Ų | 59 | 27 Ų | 27 | 61% | 0.608 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | 16.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | H1178 | H1178-G1180 PolarHBondContact O-N 3.31Š|
| 1181 | I | 84.3 | Confident | 89.1 | Confident | 35 Ų | 35 | 26.4 Ų | 26.4 | 18% | 0.179 | 14% | 0.142 | C | C | . | . | trans | -98.2 | 136.6 | 169.2 | -55.2 | -166.4 | 0 | 0 | 0 | 110.9 | E1151 L1152 H1178 R1183 | E1151-I1181 HydrophobicContact CB-CG2 3.98Å; E1151-I1181 HydrophobicContact CG-CG2 4.46Å; L1152-I1181 HydrophobicContact CB-CG2 4.1Å; L1152-I1181 WeakPolarHBondContact O-CG2 3.43Å; H1178-I1181 HydrophobicContact CB-CD1 3.58Å; H1178-I1181 HydrophobicContact CB-CG1 3.9Å; H1178-I1181 PolarHBondContact O-N 2.8Å; I1181-R1183 WeakPolarHBondContact O-CG 3.4Å; I1181-R1183 PolarHBondContact O-NH1 3.38Å | ||
| 1182 | Q | 86.4 | Confident | 89 | Confident | 107 Ų | 107 | 28.3 Ų | 28.3 | 50% | 0.5 | 15% | 0.15 | S | C | . | . | trans | -67 | 141.9 | 176.6 | -169.9 | -179.7 | 22.5 | 0 | 0 | 111.5 | L1152 Y1158 | L1152-Q1182 HydrophobicContact CB-CB 4.41Å; L1152-Q1182 HydrophobicContact CD2-CB 4.44Å; L1152-Q1182 PolarHBondContact N-O 3.48Å; Y1158-Q1182 HydrophobicContact CE1-CG 4.49Å; Y1158-Q1182 WeakPolarHBondContact OH-CG 3.08Å; Y1158-Q1182 PolarHBondContact OH-NE2 2.66Å; Y1158-Q1182 PolarHBondContact OH-OE1 2.83Å | ||
| 1183 | R | 92 | Very high | 88.8 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 162.9 | -172.9 | -47.1 | -167 | 171.2 | 76.6 | 13.6 | 114.7 | I1149 C1150 E1151 H1178 I1181 W1250 S1252 | I1149-R1183 HydrophobicContact CG2-CB 4.38Å; C1150-R1183 CarbonylContact O-C 3.18Å; C1150-R1183 WeakPolarHBondContact O-CA 3.09Å; C1150-R1183 WeakPolarHBondContact O-CB 3.35Å; E1151-R1183 HydrophobicContact CG-CG 4.1Å; E1151-R1183 IonicContact OE1-CZ 3.32Å; E1151-R1183 IonicContact OE1-NE 2.81Å; E1151-R1183 PolarHBondContact OE1-NE 2.84Å; E1151-R1183 IonicContact OE1-NH2 2.67Å; E1151-R1183 PolarHBondContact OE1-NH2 3.48Å; H1178-R1183 PolarHBondContact O-NH2 2.98Å; I1181-R1183 WeakPolarHBondContact O-CG 3.4Å; I1181-R1183 PolarHBondContact O-NH1 3.38Å; R1183-W1250 CarbonylContact C-O 3.55Å; R1183-W1250 WeakPolarHBondContact CA-O 3.31Å; R1183-W1250 HydrophobicContact CB-CB 4.31Å; R1183-W1250 HydrophobicContact CB-CE3 4.12Å; R1183-W1250 WeakPolarHBondContact CB-O 3.43Å; R1183-W1250 HydrophobicContact CG-CE3 4.41Å; R1183-W1250 PolarHBondContact N-O 2.89Å; R1183-W1250 VanDerWaalsContact N-O 3.09Å; R1183-W1250 PolarHBondContact O-N 3.45Å; R1183-W1250 VanDerWaalsContact O-O 3.08Å; R1183-S1252 PolarHBondContact NH1-OG 2.62Å |
| 1184 | R | 92.8 | Very high | 88.3 | Confident | 62 Ų | 62 | 30.4 Ų | 30.4 | 23% | 0.234 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 144.5 | 159.7 | -63.7 | -175.3 | -169.6 | -163.5 | -1.7 | 110.2 | I1149 C1150 Y1158 F1229 E1247 A1248 | I1149-R1184 CarbonylContact C-O 3.53Å; I1149-R1184 WeakPolarHBondContact CA-O 3.11Å; C1150-R1184 PolarHBondContact N-O 3.18Å; C1150-R1184 PolarHBondContact O-N 2.71Å; Y1158-R1184 HydrophobicContact CD1-CB 4.29Å; Y1158-R1184 HydrophobicContact CD1-CG 3.74Å; Y1158-R1184 HydrophobicContact CE1-CG 3.72Å; Y1158-R1184 HydrophobicContact CG-CG 4.2Å; R1184-F1229 HydrophobicContact CG-CE2 4.44Å; R1184-E1247 WeakPolarHBondContact CD-OE2 3.14Å; R1184-E1247 IonicContact CZ-OE2 3.02Å; R1184-E1247 IonicContact NE-OE2 2.81Å; R1184-E1247 IonicContact NH1-OE2 3.5Å; R1184-E1247 PolarHBondContact NH1-OE2 3.24Å; R1184-A1248 CarbonylContact C-O 3.59Å; R1184-A1248 WeakPolarHBondContact CA-O 3.29Å |
| 1185 | V | 94 | Very high | 87.5 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 115.7 | 165 | 179.3 | 0 | 0 | 0 | 0 | 107.2 | E1148 I1149 V1187 I1207 L1226 E1247 A1248 W1250 I1274 | E1148-V1185 CarbonylContact O-C 3.54Å; E1148-V1185 WeakPolarHBondContact O-CA 3.37Å; I1149-V1185 HydrophobicContact CG1-CG2 4.45Å; V1185-V1187 HydrophobicContact CG1-CG2 4.16Å; V1185-I1207 HydrophobicContact CG2-CD1 4.31Å; V1185-L1226 HydrophobicContact CG2-CD1 4.3Å; V1185-E1247 CarbonylContact O-C 3.41Å; V1185-E1247 WeakPolarHBondContact O-CA 3.42Å; V1185-A1248 PolarHBondContact N-O 2.69Å; V1185-A1248 PolarHBondContact O-N 3.22Å; V1185-W1250 HydrophobicContact CG2-CB 3.96Å; V1185-W1250 HydrophobicContact CG2-CD2 4.36Å; V1185-W1250 HydrophobicContact CG2-CE3 4.19Å; V1185-W1250 HydrophobicContact CG2-CG 4.29Å; V1185-I1274 HydrophobicContact CG1-CD1 3.88Å |
| 1186 | R | 94.3 | Very high | 86.7 | Confident | 52 Ų | 52 | 37.8 Ų | 37.8 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 130 | 175.8 | 175.5 | -174.1 | -67.4 | 154 | -8.7 | 108.5 | E1148 Q1245 E1247 | E1148-R1186 HydrophobicContact CB-CB 4.17Å; E1148-R1186 PolarHBondContact N-O 3.49Å; E1148-R1186 PolarHBondContact O-N 3.29Å; E1148-R1186 IonicContact OE1-CZ 3.32Å; E1148-R1186 IonicContact OE1-NH1 3.62Å; E1148-R1186 PolarHBondContact OE1-NH1 3.35Å; E1148-R1186 WeakPolarHBondContact OE2-CD 3.33Å; E1148-R1186 IonicContact OE2-NH1 2.68Å; R1186-Q1245 HydrophobicContact CG-CG 4.11Å; R1186-E1247 HydrophobicContact CB-CG 4.09Å; R1186-E1247 HydrophobicContact CG-CG 4.11Å; R1186-E1247 IonicContact CZ-OE1 3.9Å; R1186-E1247 IonicContact NE-OE1 2.81Å; R1186-E1247 PolarHBondContact NE-OE1 2.79Å; R1186-E1247 IonicContact NH2-OE1 2.73Å; R1186-E1247 PolarHBondContact NH2-OE1 2.91Å |
| 1187 | V | 94.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 131.7 | 179.6 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | V1145 H1146 F1147 V1185 I1189 L1205 Q1245 F1246 I1276 | V1145-V1187 HydrophobicContact CG1-CG1 3.63Å; H1146-V1187 WeakPolarHBondContact O-CA 3.47Å; F1147-V1187 HydrophobicContact CD1-CG2 4.37Å; V1185-V1187 HydrophobicContact CG1-CG2 4.16Å; V1187-I1189 HydrophobicContact CG1-CG1 4.44Å; V1187-L1205 HydrophobicContact CG2-CD1 4.39Å; V1187-Q1245 WeakPolarHBondContact O-CA 3.45Å; V1187-F1246 HydrophobicContact CB-CD1 4.34Å; V1187-F1246 HydrophobicContact CB-CE1 3.75Å; V1187-F1246 HydrophobicContact CB-CE2 4.12Å; V1187-F1246 HydrophobicContact CB-CZ 3.61Å; V1187-F1246 HydrophobicContact CG1-CE1 3.9Å; V1187-F1246 HydrophobicContact CG1-CZ 3.94Å; V1187-F1246 HydrophobicContact CG2-CE2 4.17Å; V1187-F1246 HydrophobicContact CG2-CZ 3.93Å; V1187-F1246 PolarHBondContact N-O 2.77Å; V1187-F1246 PolarHBondContact O-N 2.74Å; V1187-F1246 VanDerWaalsContact O-N 3.08Å; V1187-I1276 HydrophobicContact CG1-CD1 4Å; V1187-I1276 HydrophobicContact CG2-CD1 4Å |
| 1188 | T | 93.3 | Very high | 86.2 | Confident | 8 Ų | 8 | 42.5 Ų | 42.5 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 119.1 | 174 | -49.2 | 0 | 0 | 0 | 0 | 109.6 | V1145 H1146 L1234 Y1243 F1244 Q1245 | V1145-T1188 CarbonylContact C-O 3.57Å; V1145-T1188 VanDerWaalsContact CA-O 3.3Å; V1145-T1188 WeakPolarHBondContact CA-O 3.42Å; H1146-T1188 PolarHBondContact N-O 2.85Å; H1146-T1188 PolarHBondContact O-N 2.73Å; T1188-L1234 HydrophobicContact CG2-CD1 4.24Å; T1188-Y1243 HydrophobicContact CG2-CD1 4.14Å; T1188-F1244 CarbonylContact C-O 3.45Å; T1188-F1244 WeakPolarHBondContact CA-O 3.44Å; T1188-Q1245 HydrophobicContact CG2-CB 4.34Å; T1188-Q1245 PolarHBondContact OG1-NE2 2.73Å |
| 1189 | I | 93.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 133.6 | 176.1 | -57.2 | 170.4 | 0 | 0 | 0 | 108.2 | V1145 V1187 W1199 Y1243 F1244 F1246 M1278 I1289 | V1145-I1189 HydrophobicContact CG1-CG1 4.3Å; V1145-I1189 HydrophobicContact CG2-CG1 4.24Å; V1145-I1189 HydrophobicContact CG2-CG2 4.43Å; V1187-I1189 HydrophobicContact CG1-CG1 4.44Å; I1189-W1199 HydrophobicContact CG2-CZ2 3.84Å; I1189-Y1243 WeakPolarHBondContact O-CA 3.42Å; I1189-F1244 PolarHBondContact N-O 3.26Å; I1189-F1244 PolarHBondContact O-N 3.27Å; I1189-F1246 HydrophobicContact CD1-CE1 4.38Å; I1189-M1278 HydrophobicContact CD1-CE 3.72Å; I1189-M1278 HydrophobicContact CD1-CG 4.1Å; I1189-M1278 HydrophobicContact CD1-SD 3.83Å; I1189-I1289 HydrophobicContact CD1-CD1 3.6Å; I1189-I1289 HydrophobicContact CG1-CD1 4.19Å |
| 1190 | C | 91.1 | Very high | 86.4 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 131.4 | -174.8 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | L1144 K1241 V1242 Y1243 | L1144-C1190 HydrophobicContact CB-CB 4.28Å; L1144-C1190 PolarHBondContact N-O 3.3Å; L1144-C1190 WeakPolarHBondContact O-CA 3.43Å; L1144-C1190 WeakPolarHBondContact O-CB 3.34Å; L1144-C1190 PolarHBondContact O-N 3.06Å; C1190-K1241 VanDerWaalsContact SG-CD 3.54Å; C1190-V1242 VanDerWaalsContact CA-O 3.3Å; C1190-V1242 WeakPolarHBondContact CA-O 3.28Å; C1190-Y1243 HydrophobicContact CB-CD1 3.9Å; C1190-Y1243 HydrophobicContact CB-CE1 3.89Å; C1190-Y1243 WeakPolarHBondContact SG-CE1 3.41Å; C1190-Y1243 VanDerWaalsContact SG-CZ 3.52Å |
| 1191 | H | 88.9 | Confident | 86.9 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 166.1 | 178.5 | 61.6 | 95.8 | 0 | 0 | 0 | 113.1 | L1143 W1199 K1241 V1242 | L1143-H1191 HydrophobicContact CD2-CB 3.73Å; H1191-W1199 AromaticContact CD2-NE1 3.36Å; H1191-W1199 PolarHBondContact CD2-NE1 3.01Å; H1191-W1199 AromaticContact NE2-CD1 3.56Å; H1191-W1199 AromaticContact NE2-NE1 2.95Å; H1191-W1199 PolarHBondContact NE2-NE1 2.97Å; H1191-K1241 WeakPolarHBondContact O-CA 3.32Å; H1191-K1241 WeakPolarHBondContact O-CB 3.42Å; H1191-V1242 PolarHBondContact N-O 3.38Å; H1191-V1242 VanDerWaalsContact N-O 3.13Å; H1191-V1242 PolarHBondContact O-N 3.47Å |
| 1192 | E | 80.8 | Confident | 87.1 | Confident | 45 Ų | 45 | 39.3 Ų | 39.3 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 152.3 | 171 | -58 | -160.6 | 136.5 | 0 | 0 | 110.9 | C1194 T1629 H1631 | E1192-C1194 PolarHBondContact O-SG 3.2Å; E1192-T1629 PolarHBondContact OE2-OG1 2.97Å; E1192-H1631 IonicContact OE2-CD2 3.8Å |
| 1193 | T | 78 | Confident | 87.2 | Confident | 87 Ų | 87 | 38.8 Ų | 38.8 | 53% | 0.534 | 20% | 0.204 | S | C | . | . | trans | -70.2 | 129.1 | 179.3 | 39.2 | 0 | 0 | 0 | 0 | 111.7 | N1240 V1242 | T1193-N1240 WeakPolarHBondContact CG2-O 3.47Å; T1193-V1242 HydrophobicContact CG2-CG2 3.71Å | ||
| 1194 | C | 75 | Confident | 87.1 | Confident | 38 Ų | 38 | 38.9 Ų | 38.9 | 26% | 0.257 | 20% | 0.204 | S | C | . | . | trans | -153.9 | 152.1 | -172.9 | 49.9 | 0 | 0 | 0 | 0 | 111 | E1192 | E1192-C1194 PolarHBondContact O-SG 3.2Š| ||
| 1195 | S | 73.5 | Confident | 87 | Confident | 114 Ų | 114 | 35.9 Ų | 35.9 | 80% | 0.797 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -75.3 | -28.6 | 178.1 | 43.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1196 | D | 74.8 | Confident | 86.8 | Confident | 60 Ų | 60 | 36 Ų | 36 | 32% | 0.321 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -93.8 | -3.6 | -162 | -61.3 | 14 | 0 | 0 | 0 | 113.2 | L1335 | D1196-L1335 WeakPolarHBondContact O-CD1 3.31Š|
| 1197 | L | 84.6 | Confident | 86.6 | Confident | 8 Ų | 8 | 33.5 Ų | 33.5 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | trans | -136.5 | 117.1 | -174.7 | 171.1 | 62.8 | 0 | 0 | 0 | 110.6 | H1141 L1143 W1199 I1280 L1333 | H1141-L1197 HydrophobicContact CB-CD2 4.05Å; L1143-L1197 HydrophobicContact CD2-CD2 4.18Å; L1197-W1199 HydrophobicContact CD1-CH2 4.42Å; L1197-W1199 HydrophobicContact CD1-CZ2 3.99Å; L1197-W1199 HydrophobicContact CD2-CZ2 4.21Å; L1197-W1199 HydrophobicContact CG-CZ2 4.47Å; L1197-I1280 HydrophobicContact CD1-CD1 3.88Å; L1197-I1280 HydrophobicContact CD1-CG1 4.31Å; L1197-I1280 HydrophobicContact CD1-CG2 3.8Å; L1197-L1333 HydrophobicContact CD1-CD2 3.6Å; L1197-L1333 HydrophobicContact CD2-CD2 3.79Å; L1197-L1333 HydrophobicContact CG-CD2 4.32Å | ||
| 1198 | K | 86.5 | Confident | 86.2 | Confident | 101 Ų | 101 | 33.5 Ų | 33.5 | 44% | 0.439 | 18% | 0.184 | S | C | . | . | trans | -142.2 | 124.5 | 176.4 | -177.8 | -162.7 | -175.6 | -175.8 | 0 | 108.6 | E1281 | K1198-E1281 HydrophobicContact CB-CB 4.23Å; K1198-E1281 HydrophobicContact CD-CB 4.23Å; K1198-E1281 VanDerWaalsContact CD-CD 3.46Å; K1198-E1281 HydrophobicContact CD-CG 4.48Å; K1198-E1281 WeakPolarHBondContact CD-OE2 3.43Å; K1198-E1281 VanDerWaalsContact NZ-CD 3.32Å; K1198-E1281 IonicContact NZ-OE1 3.58Å; K1198-E1281 PolarHBondContact NZ-OE1 3.2Å; K1198-E1281 IonicContact NZ-OE2 2.69Å; K1198-E1281 PolarHBondContact NZ-OE2 2.88Å; K1198-E1281 PolarHBondContact O-N 3.34Å; K1198-E1281 VanDerWaalsContact O-N 3.07Å | ||
| 1199 | W | 89.8 | Confident | 85.7 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 1% | 0.011 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 136.9 | 176.7 | -52.3 | 95.3 | 0 | 0 | 0 | 109.6 | L1143 I1189 H1191 L1197 Y1233 F1244 M1278 I1280 A1287 L1333 | L1143-W1199 HydrophobicContact CD1-CH2 3.82Å; L1143-W1199 HydrophobicContact CD1-CZ2 3.85Å; L1143-W1199 HydrophobicContact CD2-CZ2 4.12Å; I1189-W1199 HydrophobicContact CG2-CZ2 3.84Å; H1191-W1199 AromaticContact CD2-NE1 3.36Å; H1191-W1199 PolarHBondContact CD2-NE1 3.01Å; H1191-W1199 AromaticContact NE2-CD1 3.56Å; H1191-W1199 AromaticContact NE2-NE1 2.95Å; H1191-W1199 PolarHBondContact NE2-NE1 2.97Å; L1197-W1199 HydrophobicContact CD1-CH2 4.42Å; L1197-W1199 HydrophobicContact CD1-CZ2 3.99Å; L1197-W1199 HydrophobicContact CD2-CZ2 4.21Å; L1197-W1199 HydrophobicContact CG-CZ2 4.47Å; W1199-Y1233 PolarHBondContact N-OH 3.29Å; W1199-Y1233 PolarHBondContact O-OH 3.34Å; W1199-F1244 HydrophobicContact CB-CD1 4.21Å; W1199-F1244 HydrophobicContact CB-CD2 3.99Å; W1199-F1244 HydrophobicContact CB-CE1 4.38Å; W1199-F1244 HydrophobicContact CB-CE2 4.15Å; W1199-F1244 HydrophobicContact CB-CG 4.01Å; W1199-F1244 HydrophobicContact CB-CZ 4.33Å; W1199-F1244 HydrophobicContact CG-CB 4.45Å; W1199-F1244 HydrophobicContact CG-CG 4.31Å; W1199-M1278 HydrophobicContact CB-CE 4.44Å; W1199-M1278 HydrophobicContact CD2-CE 4.25Å; W1199-M1278 HydrophobicContact CE3-CB 3.85Å; W1199-M1278 HydrophobicContact CE3-CE 3.66Å; W1199-M1278 HydrophobicContact CE3-CG 4.23Å; W1199-M1278 HydrophobicContact CZ3-CB 3.64Å; W1199-M1278 HydrophobicContact CZ3-CE 4.33Å; W1199-M1278 HydrophobicContact CZ3-CG 3.97Å; W1199-I1280 HydrophobicContact CE3-CD1 4.15Å; W1199-I1280 HydrophobicContact CE3-CG1 3.72Å; W1199-I1280 HydrophobicContact CH2-CD1 3.97Å; W1199-I1280 HydrophobicContact CH2-CG1 4.45Å; W1199-I1280 HydrophobicContact CZ3-CD1 3.6Å; W1199-I1280 HydrophobicContact CZ3-CG1 3.66Å; W1199-A1287 HydrophobicContact CZ3-CB 4.49Å; W1199-L1333 HydrophobicContact CH2-CD2 4.23Å; W1199-L1333 HydrophobicContact CZ2-CD2 4.46Å |
| 1200 | I | 88.3 | Confident | 85.4 | Confident | 74 Ų | 74 | 35.1 Ų | 35.1 | 38% | 0.379 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -71.1 | 176.3 | -65.2 | 179.4 | 0 | 0 | 0 | 108.4 | E1279 E1281 | I1200-E1279 HydrophobicContact CB-CB 4.09Å; I1200-E1279 HydrophobicContact CB-CG 4.04Å; I1200-E1279 HydrophobicContact CD1-CG 4.14Å; I1200-E1279 HydrophobicContact CG2-CG 4.42Å; I1200-E1279 PolarHBondContact N-O 2.98Å; I1200-E1281 HydrophobicContact CD1-CB 4.13Å; I1200-E1281 HydrophobicContact CG1-CB 4.39Å |
| 1201 | D | 87.9 | Confident | 85 | Confident | 43 Ų | 43 | 35.9 Ų | 35.9 | 23% | 0.23 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 178.7 | 169.3 | -148.4 | -16.1 | 0 | 0 | 0 | 111.4 | G1231 E1279 | D1201-G1231 WeakPolarHBondContact OD1-CA 3.21Å; D1201-G1231 PolarHBondContact OD1-N 3.4Å; D1201-E1279 PolarHBondContact O-N 3.49Å |
| 1202 | C | 89.6 | Confident | 84.7 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 7% | 0.068 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 124 | 164 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | L1228 F1246 M1278 | C1202-L1228 HydrophobicContact CB-CD1 4.19Å; C1202-L1228 HydrophobicContact CB-CD2 4.16Å; C1202-L1228 WeakPolarHBondContact O-CD1 3.49Å; C1202-F1246 HydrophobicContact CB-CD1 4.35Å; C1202-F1246 HydrophobicContact CB-CD2 3.92Å; C1202-F1246 HydrophobicContact CB-CE1 4.28Å; C1202-F1246 HydrophobicContact CB-CE2 3.84Å; C1202-F1246 HydrophobicContact CB-CG 4.18Å; C1202-F1246 HydrophobicContact CB-CZ 4.04Å; C1202-M1278 HydrophobicContact CB-SD 3.93Å |
| 1203 | Q | 87.7 | Confident | 84.5 | Confident | 96 Ų | 96 | 40.1 Ų | 40.1 | 45% | 0.449 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -37 | -179.3 | -76.1 | -73.6 | -10.4 | 0 | 0 | 112.9 | Y1277 E1279 L1286 | Q1203-Y1277 PolarHBondContact N-O 3.42Å; Q1203-E1279 HydrophobicContact CG-CB 4.22Å; Q1203-E1279 PolarHBondContact NE2-OE2 2.66Å; Q1203-L1286 HydrophobicContact CB-CD1 3.96Å; Q1203-L1286 HydrophobicContact CG-CD1 4.16Å; Q1203-L1286 HydrophobicContact CG-CD2 4.05Å |
| 1204 | E | 89.3 | Confident | 84.1 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.028 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 140.8 | 174.4 | -163.2 | 176.8 | -148.9 | 0 | 0 | 110.5 | S1123 S1124 V1206 S1225 Y1277 | S1123-E1204 WeakPolarHBondContact CA-OE2 3.3Å; S1123-E1204 WeakPolarHBondContact CB-OE2 3.22Å; S1123-E1204 PolarHBondContact OG-OE2 3.23Å; S1124-E1204 PolarHBondContact N-OE2 3.37Å; S1124-E1204 PolarHBondContact OG-OE1 2.85Å; E1204-V1206 HydrophobicContact CG-CG2 3.83Å; E1204-S1225 VanDerWaalsContact OE1-CB 3.29Å; E1204-S1225 WeakPolarHBondContact OE1-CB 3.38Å; E1204-S1225 PolarHBondContact OE1-OG 3.27Å; E1204-Y1277 HydrophobicContact CB-CD2 4.36Å; E1204-Y1277 PolarHBondContact O-N 2.83Å |
| 1205 | L | 91.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 116 | 168.7 | -179.3 | 165.7 | 0 | 0 | 0 | 107.7 | V1187 I1207 S1225 L1226 L1228 F1246 A1248 I1274 S1275 I1276 | V1187-L1205 HydrophobicContact CG2-CD1 4.39Å; L1205-I1207 HydrophobicContact CD2-CD1 4.31Å; L1205-I1207 HydrophobicContact CD2-CG1 3.96Å; L1205-S1225 WeakPolarHBondContact O-CA 3.4Å; L1205-L1226 HydrophobicContact CD2-CB 4.13Å; L1205-L1226 HydrophobicContact CD2-CD1 3.66Å; L1205-L1226 HydrophobicContact CD2-CG 3.75Å; L1205-L1226 PolarHBondContact O-N 2.93Å; L1205-L1228 HydrophobicContact CB-CD2 3.99Å; L1205-L1228 HydrophobicContact CD1-CD2 4.48Å; L1205-F1246 HydrophobicContact CD1-CE2 3.83Å; L1205-F1246 HydrophobicContact CD1-CZ 4.49Å; L1205-A1248 HydrophobicContact CD1-CB 3.96Å; L1205-I1274 HydrophobicContact CD1-CD1 4.02Å; L1205-I1274 HydrophobicContact CD2-CD1 3.84Å; L1205-I1274 HydrophobicContact CD2-CG1 3.9Å; L1205-I1274 HydrophobicContact CG-CD1 4.05Å; L1205-I1274 HydrophobicContact CG-CG1 4.12Å; L1205-S1275 CarbonylContact C-O 3.58Å; L1205-S1275 WeakPolarHBondContact CA-O 3.19Å; L1205-I1276 HydrophobicContact CD1-CG1 4.1Å; L1205-I1276 HydrophobicContact CG-CG1 4.02Å |
| 1206 | V | 89.5 | Confident | 82.5 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 136.1 | -177.5 | -170.4 | 0 | 0 | 0 | 0 | 109.4 | I1121 E1204 A1223 L1224 I1274 S1275 Y1277 | I1121-V1206 HydrophobicContact CB-CG1 4.18Å; I1121-V1206 HydrophobicContact CD1-CG1 4.39Å; I1121-V1206 HydrophobicContact CG2-CG1 3.7Å; E1204-V1206 HydrophobicContact CG-CG2 3.83Å; V1206-A1223 HydrophobicContact CG1-CB 4.22Å; V1206-L1224 WeakPolarHBondContact CA-O 2.78Å; V1206-I1274 CarbonylContact O-C 3.36Å; V1206-I1274 WeakPolarHBondContact O-CA 3.13Å; V1206-S1275 PolarHBondContact N-O 3.5Å; V1206-S1275 PolarHBondContact O-N 2.82Å; V1206-Y1277 HydrophobicContact CG2-CE2 4.4Å |
| 1207 | I | 90.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140.8 | 169.3 | -65.1 | -179.6 | 0 | 0 | 0 | 108.5 | V1185 L1205 L1224 L1226 W1250 H1255 M1272 T1273 I1274 | V1185-I1207 HydrophobicContact CG2-CD1 4.31Å; L1205-I1207 HydrophobicContact CD2-CD1 4.31Å; L1205-I1207 HydrophobicContact CD2-CG1 3.96Å; I1207-L1224 PolarHBondContact N-O 2.99Å; I1207-L1224 PolarHBondContact O-N 3.17Å; I1207-L1226 HydrophobicContact CD1-CD1 3.7Å; I1207-L1226 HydrophobicContact CD1-CG 4.29Å; I1207-L1226 HydrophobicContact CG1-CD1 4.36Å; I1207-L1226 HydrophobicContact CG1-CG 4.5Å; I1207-W1250 HydrophobicContact CD1-CD2 4.41Å; I1207-W1250 HydrophobicContact CD1-CG 4.33Å; I1207-H1255 WeakPolarHBondContact CA-CE1 3.14Å; I1207-H1255 WeakPolarHBondContact CB-CE1 3.08Å; I1207-H1255 WeakPolarHBondContact CG2-CE1 3.36Å; I1207-H1255 PolarHBondContact O-CE1 3.25Å; I1207-M1272 HydrophobicContact CD1-CE 3.86Å; I1207-M1272 HydrophobicContact CG2-CB 4.39Å; I1207-M1272 HydrophobicContact CG2-CE 3.71Å; I1207-M1272 HydrophobicContact CG2-SD 4.41Å; I1207-T1273 WeakPolarHBondContact CA-O 3.44Å; I1207-I1274 HydrophobicContact CD1-CD1 4.48Å; I1207-I1274 HydrophobicContact CG1-CB 4.23Å; I1207-I1274 HydrophobicContact CG1-CD1 4.38Å; I1207-I1274 HydrophobicContact CG1-CG1 4.02Å |
| 1208 | G | 86.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.4 | -161.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I1210 D1222 T1273 | G1208-I1210 VanDerWaalsContact C-N 3.28Å; G1208-I1210 PolarHBondContact O-N 3.21Å; G1208-D1222 WeakPolarHBondContact CA-O 3.33Å; G1208-T1273 PolarHBondContact N-O 2.82Å; G1208-T1273 PolarHBondContact O-N 2.86Å |
| 1209 | R | 83.1 | Confident | 78.4 | Confident | 29 Ų | 29 | 53.4 Ų | 53.4 | 11% | 0.109 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 48 | 50.7 | -170.5 | -56.6 | -161.8 | -164.2 | 102.7 | 3.6 | 112.3 | T1119 P1120 R1211 D1220 | T1119-R1209 PolarHBondContact O-NH1 3.08Å; T1119-R1209 PolarHBondContact O-NH2 3.46Å; P1120-R1209 PolarHBondContact O-NH2 3.49Å; R1209-R1211 VanDerWaalsContact O-CD 3.28Å; R1209-R1211 WeakPolarHBondContact O-CD 3.16Å; R1209-R1211 VanDerWaalsContact O-CG 3.27Å; R1209-R1211 WeakPolarHBondContact O-CG 3.49Å; R1209-R1211 PolarHBondContact O-N 3.1Å; R1209-R1211 PolarHBondContact O-NE 2.99Å; R1209-D1220 IonicContact CZ-OD1 2.84Å; R1209-D1220 IonicContact NE-OD1 2.95Å; R1209-D1220 PolarHBondContact NE-OD1 3.47Å; R1209-D1220 IonicContact NH2-OD1 2.76Å; R1209-D1220 PolarHBondContact NH2-OD1 2.57Å; R1209-D1220 IonicContact NH2-OD2 3.18Å |
| 1210 | I | 86.4 | Confident | 77 | Confident | 14 Ų | 14 | 55.6 Ų | 55.6 | 7% | 0.072 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 123.3 | -178.1 | -62 | 160.2 | 0 | 0 | 0 | 108.9 | G1208 D1222 H1255 S1257 L1259 L1260 V1270 Y1271 M1272 | G1208-I1210 VanDerWaalsContact C-N 3.28Å; G1208-I1210 PolarHBondContact O-N 3.21Å; I1210-D1222 HydrophobicContact CD1-CB 4.5Å; I1210-H1255 HydrophobicContact CD1-CB 3.58Å; I1210-H1255 WeakPolarHBondContact CD1-ND1 3.44Å; I1210-S1257 WeakPolarHBondContact CG2-OG 3.24Å; I1210-L1259 HydrophobicContact CG2-CB 3.93Å; I1210-L1259 HydrophobicContact CG2-CD1 4.23Å; I1210-L1260 HydrophobicContact CD1-CD1 3.51Å; I1210-L1260 HydrophobicContact CD1-CG 4.21Å; I1210-L1260 HydrophobicContact CG1-CD1 4.2Å; I1210-L1260 HydrophobicContact CG2-CG 4.11Å; I1210-V1270 HydrophobicContact CG2-CG1 3.78Å; I1210-Y1271 WeakPolarHBondContact CA-O 3.45Å; I1210-M1272 HydrophobicContact CG1-CB 4.27Å |
| 1211 | R | 83.4 | Confident | 75.4 | Confident | 17 Ų | 17 | 60.5 Ų | 60.5 | 6% | 0.064 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 149.9 | -165.9 | 55.6 | -161.5 | 168.2 | 124.5 | -0.5 | 112.1 | R1209 T1213 P1214 D1215 Y1271 D1292 | R1209-R1211 VanDerWaalsContact O-CD 3.28Å; R1209-R1211 WeakPolarHBondContact O-CD 3.16Å; R1209-R1211 VanDerWaalsContact O-CG 3.27Å; R1209-R1211 WeakPolarHBondContact O-CG 3.49Å; R1209-R1211 PolarHBondContact O-N 3.1Å; R1209-R1211 PolarHBondContact O-NE 2.99Å; R1211-T1213 VanDerWaalsContact CG-O 3.28Å; R1211-T1213 WeakPolarHBondContact CG-O 3.43Å; R1211-P1214 PolarHBondContact NH1-O 3.13Å; R1211-D1215 PolarHBondContact NH1-O 2.79Å; R1211-Y1271 PolarHBondContact N-O 3.29Å; R1211-Y1271 PolarHBondContact O-N 3.16Å; R1211-D1292 VanDerWaalsContact NH2-CG 3.27Å; R1211-D1292 IonicContact NH2-OD1 2.71Å; R1211-D1292 PolarHBondContact NH2-OD1 3.4Å; R1211-D1292 IonicContact NH2-OD2 3.69Å; R1211-D1292 PolarHBondContact NH2-OD2 2.64Å |
| 1212 | S | 81.3 | Confident | 74.4 | Confident | 62 Ų | 62 | 61.3 Ų | 61.3 | 43% | 0.434 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -89.8 | -2 | 176.2 | 53.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1213 | T | 78 | Confident | 73.8 | Confident | 78 Ų | 78 | 63.1 Ų | 63.1 | 48% | 0.479 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -132.8 | 147.4 | -179.2 | 53 | 0 | 0 | 0 | 0 | 111 | R1211 D1215 | R1211-T1213 VanDerWaalsContact CG-O 3.28Å; R1211-T1213 WeakPolarHBondContact CG-O 3.43Å; T1213-D1215 VanDerWaalsContact C-N 3.27Å; T1213-D1215 PolarHBondContact O-N 2.69Å |
| 1214 | P | 68.9 | Low | 73.7 | Confident | 79 Ų | 79 | 60.7 Ų | 60.7 | 51% | 0.513 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -76.1 | -5.2 | -174.1 | 31 | -36.9 | 0 | 0 | 0 | 115.1 | R1211 Y1271 | R1211-P1214 PolarHBondContact NH1-O 3.13Å; P1214-Y1271 HydrophobicContact CB-CE1 4.2Å |
| 1215 | D | 62.3 | Low | 73.6 | Confident | 110 Ų | 110 | 62.2 Ų | 62.2 | 59% | 0.588 | 34% | 0.343 | S | S | * | . | trans | -88.7 | 157.2 | 173.4 | -61.5 | -57.7 | 0 | 0 | 0 | 111.3 | R1211 T1213 | R1211-D1215 PolarHBondContact NH1-O 2.79Å; T1213-D1215 VanDerWaalsContact C-N 3.27Å; T1213-D1215 PolarHBondContact O-N 2.69Å | ||
| 1216 | S | 52.7 | Low | 73.4 | Confident | 54 Ų | 54 | 63 Ų | 63 | 38% | 0.378 | 35% | 0.347 | S | S | . | . | trans | -130.8 | 114.6 | -177.8 | -171.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1217 | M | 52.1 | Low | 73.2 | Confident | 179 Ų | 179 | 65.2 Ų | 65.2 | 88% | 0.882 | 37% | 0.37 | S | S | * | . | trans | -139.6 | 25.1 | -179.3 | -66.8 | -68.2 | -69.4 | 0 | 0 | 111.5 | ||||
| 1218 | L | 52.7 | Low | 73.2 | Confident | 139 Ų | 139 | 68 Ų | 68 | 73% | 0.728 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -125 | 146.2 | -176.3 | -62.6 | 174.3 | 0 | 0 | 0 | 109.9 | ||
| 1219 | D | 54.2 | Low | 73.2 | Confident | 126 Ų | 126 | 71.9 Ų | 71.9 | 67% | 0.674 | 40% | 0.401 | S | S | * | . | trans | -67.7 | 160.5 | 175.9 | -63.9 | -65.8 | 0 | 0 | 0 | 112.5 | F1221 | D1219-F1221 HydrophobicContact CB-CD2 3.78Å; D1219-F1221 HydrophobicContact CB-CE2 3.56Å; D1219-F1221 HydrophobicContact CB-CZ 4.28Å; D1219-F1221 PolarHBondContact O-N 2.78Å | ||
| 1220 | D | 60.3 | Low | 73.3 | Confident | 50 Ų | 50 | 78.3 Ų | 78.3 | 27% | 0.267 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -72.6 | 39.2 | -170.5 | -61.5 | -49.4 | 0 | 0 | 0 | 114.7 | K1122 R1209 | K1122-D1220 IonicContact NZ-OD2 2.71Å; R1209-D1220 IonicContact CZ-OD1 2.84Å; R1209-D1220 IonicContact NE-OD1 2.95Å; R1209-D1220 PolarHBondContact NE-OD1 3.47Å; R1209-D1220 IonicContact NH2-OD1 2.76Å; R1209-D1220 PolarHBondContact NH2-OD1 2.57Å; R1209-D1220 IonicContact NH2-OD2 3.18Å |
| 1221 | F | 55.7 | Low | 73.2 | Confident | 176 Ų | 176 | 78.2 Ų | 78.2 | 77% | 0.772 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -32.7 | -172 | -71.4 | -64.7 | 0 | 0 | 0 | 115.5 | D1219 A1223 | D1219-F1221 HydrophobicContact CB-CD2 3.78Å; D1219-F1221 HydrophobicContact CB-CE2 3.56Å; D1219-F1221 HydrophobicContact CB-CZ 4.28Å; D1219-F1221 PolarHBondContact O-N 2.78Å; F1221-A1223 PolarHBondContact O-N 3.39Å |
| 1222 | D | 66.4 | Low | 73.6 | Confident | 61 Ų | 61 | 81.5 Ų | 81.5 | 33% | 0.326 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 46.2 | -176.3 | -69.9 | 4.2 | 0 | 0 | 0 | 112 | G1208 I1210 | G1208-D1222 WeakPolarHBondContact CA-O 3.33Å; I1210-D1222 HydrophobicContact CD1-CB 4.5Å |
| 1223 | A | 77.8 | Confident | 74 | Confident | 47 Ų | 47 | 83.7 Ų | 83.7 | 39% | 0.388 | 45% | 0.451 | S | S | . | . | trans | -101.4 | 127.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | I1121 V1206 F1221 | I1121-A1223 HydrophobicContact CG2-CB 3.79Å; V1206-A1223 HydrophobicContact CG1-CB 4.22Å; F1221-A1223 PolarHBondContact O-N 3.39Å | ||
| 1224 | L | 83.9 | Confident | 74.4 | Confident | 45 Ų | 45 | 82.4 Ų | 82.4 | 24% | 0.236 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 127.3 | -179.8 | -176.7 | 74.7 | 0 | 0 | 0 | 111.6 | V1206 I1207 L1226 L1254 H1255 | V1206-L1224 WeakPolarHBondContact CA-O 2.78Å; I1207-L1224 PolarHBondContact N-O 2.99Å; I1207-L1224 PolarHBondContact O-N 3.17Å; L1224-L1226 HydrophobicContact CD2-CD2 4.18Å; L1224-L1254 HydrophobicContact CD2-CB 3.54Å; L1224-L1254 HydrophobicContact CD2-CD1 4.27Å; L1224-H1255 WeakPolarHBondContact CB-CE1 3.11Å; L1224-H1255 WeakPolarHBondContact CD2-NE2 3.48Å |
| 1225 | S | 87.4 | Confident | 74.6 | Confident | 39 Ų | 39 | 87.9 Ų | 87.9 | 27% | 0.273 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 129.4 | 172.3 | -49.7 | 0 | 0 | 0 | 0 | 111.2 | E1204 L1205 | E1204-S1225 VanDerWaalsContact OE1-CB 3.29Å; E1204-S1225 WeakPolarHBondContact OE1-CB 3.38Å; E1204-S1225 PolarHBondContact OE1-OG 3.27Å; L1205-S1225 WeakPolarHBondContact O-CA 3.4Å |
| 1226 | L | 88.7 | Confident | 75 | Confident | 17 Ų | 17 | 87 Ų | 87 | 9% | 0.089 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 155.1 | -178.3 | -58.5 | -162.1 | 0 | 0 | 0 | 113 | V1185 L1205 I1207 L1224 L1228 A1248 W1250 | V1185-L1226 HydrophobicContact CG2-CD1 4.3Å; L1205-L1226 HydrophobicContact CD2-CB 4.13Å; L1205-L1226 HydrophobicContact CD2-CD1 3.66Å; L1205-L1226 HydrophobicContact CD2-CG 3.75Å; L1205-L1226 PolarHBondContact O-N 2.93Å; I1207-L1226 HydrophobicContact CD1-CD1 3.7Å; I1207-L1226 HydrophobicContact CD1-CG 4.29Å; I1207-L1226 HydrophobicContact CG1-CD1 4.36Å; I1207-L1226 HydrophobicContact CG1-CG 4.5Å; L1224-L1226 HydrophobicContact CD2-CD2 4.18Å; L1226-L1228 PolarHBondContact O-N 3.44Å; L1226-A1248 HydrophobicContact CB-CB 3.88Å; L1226-A1248 HydrophobicContact CD1-CB 3.93Å; L1226-W1250 HydrophobicContact CD1-CB 3.73Å; L1226-W1250 HydrophobicContact CD1-CG 4.05Å |
| 1227 | G | 85.7 | Confident | 75.1 | Confident | 48 Ų | 48 | 93.2 Ų | 93.2 | 50% | 0.495 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 117.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | A1248 A1249 | G1227-A1248 CarbonylContact O-C 3.55Å; G1227-A1248 VanDerWaalsContact O-CA 3.26Å; G1227-A1248 WeakPolarHBondContact O-CA 3.25Å; G1227-A1249 PolarHBondContact O-N 2.95Å |
| 1228 | L | 88.6 | Confident | 75.6 | Confident | 58 Ų | 58 | 88.6 Ų | 88.6 | 30% | 0.304 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 147.5 | -176.7 | -72.8 | 159.8 | 0 | 0 | 0 | 112.6 | C1202 L1205 L1226 F1246 A1248 | C1202-L1228 HydrophobicContact CB-CD1 4.19Å; C1202-L1228 HydrophobicContact CB-CD2 4.16Å; C1202-L1228 WeakPolarHBondContact O-CD1 3.49Å; L1205-L1228 HydrophobicContact CB-CD2 3.99Å; L1205-L1228 HydrophobicContact CD1-CD2 4.48Å; L1226-L1228 PolarHBondContact O-N 3.44Å; L1228-F1246 HydrophobicContact CD2-CD2 3.73Å; L1228-F1246 HydrophobicContact CD2-CE2 3.85Å; L1228-A1248 HydrophobicContact CD2-CB 3.99Å |
| 1229 | F | 88.5 | Confident | 76.3 | Confident | 82 Ų | 82 | 82.7 Ų | 82.7 | 36% | 0.36 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 144.1 | 164 | -61.6 | -91.9 | 0 | 0 | 0 | 108.7 | R1184 G1231 E1247 A1249 | R1184-F1229 HydrophobicContact CG-CE2 4.44Å; F1229-G1231 PolarHBondContact O-N 3.24Å; F1229-E1247 HydrophobicContact CB-CB 4.16Å; F1229-E1247 HydrophobicContact CD2-CB 3.71Å; F1229-E1247 HydrophobicContact CG-CB 4.25Å; F1229-E1247 PolarHBondContact N-O 3.46Å; F1229-A1249 HydrophobicContact CE2-CB 4.06Å |
| 1230 | Q | 83.3 | Confident | 77 | Confident | 163 Ų | 163 | 78.7 Ų | 78.7 | 76% | 0.762 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.4 | 131.5 | -173.9 | -172.3 | 177.1 | 14.1 | 0 | 0 | 113 | ||
| 1231 | G | 86 | Confident | 77.9 | Confident | 12 Ų | 12 | 77.8 Ų | 77.8 | 12% | 0.124 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 141.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | D1201 F1229 Q1245 | D1201-G1231 WeakPolarHBondContact OD1-CA 3.21Å; D1201-G1231 PolarHBondContact OD1-N 3.4Å; F1229-G1231 PolarHBondContact O-N 3.24Å; G1231-Q1245 WeakPolarHBondContact CA-O 3.46Å |
| 1232 | H | 91.4 | Very high | 79.3 | Confident | 86 Ų | 86 | 70.9 Ų | 70.9 | 40% | 0.398 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 152.7 | 178.5 | 62.4 | -80.5 | 0 | 0 | 0 | 111.3 | L1234 Q1245 | H1232-L1234 WeakPolarHBondContact NE2-CD2 3.44Å; H1232-Q1245 PolarHBondContact N-O 2.92Å; H1232-Q1245 PolarHBondContact ND1-O 2.63Å; H1232-Q1245 PolarHBondContact O-N 3.15Å |
| 1233 | Y | 89.7 | Confident | 80.4 | Confident | 109 Ų | 109 | 69.2 Ų | 69.2 | 43% | 0.427 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 135.7 | 173.6 | -72.3 | -92.5 | 0 | 0 | 0 | 110 | W1199 V1242 Y1243 F1244 | W1199-Y1233 PolarHBondContact N-OH 3.29Å; W1199-Y1233 PolarHBondContact O-OH 3.34Å; Y1233-V1242 HydrophobicContact CD1-CG1 3.83Å; Y1233-V1242 HydrophobicContact CE1-CG1 3.62Å; Y1233-Y1243 CarbonylContact C-O 3.57Å; Y1233-Y1243 WeakPolarHBondContact CA-O 3.38Å; Y1233-F1244 HydrophobicContact CD1-CD2 4.11Å; Y1233-F1244 AromaticContact CD2-CD2 3.86Å; Y1233-F1244 HydrophobicContact CD2-CD2 3.86Å; Y1233-F1244 HydrophobicContact CD2-CE2 4.14Å; Y1233-F1244 HydrophobicContact CE1-CB 4.38Å; Y1233-F1244 AromaticContact CE1-CD2 3.87Å; Y1233-F1244 HydrophobicContact CE1-CD2 3.87Å; Y1233-F1244 AromaticContact CE2-CD2 3.58Å; Y1233-F1244 HydrophobicContact CE2-CD2 3.58Å; Y1233-F1244 AromaticContact CE2-CE2 3.75Å; Y1233-F1244 HydrophobicContact CE2-CE2 3.75Å; Y1233-F1244 HydrophobicContact CG-CD2 4.12Å; Y1233-F1244 AromaticContact CZ-CD2 3.6Å |
| 1234 | L | 85 | Confident | 81.2 | Confident | 50 Ų | 50 | 67.1 Ų | 67.1 | 26% | 0.262 | 34% | 0.337 | S | S | . | . | trans | -98.2 | 119.9 | 178.8 | -72.6 | 175.7 | 0 | 0 | 0 | 111.3 | T1188 H1232 M1236 Y1243 Q1245 | T1188-L1234 HydrophobicContact CG2-CD1 4.24Å; H1232-L1234 WeakPolarHBondContact NE2-CD2 3.44Å; L1234-M1236 VanDerWaalsContact C-N 3.31Å; L1234-M1236 PolarHBondContact O-N 3.4Å; L1234-Y1243 PolarHBondContact N-O 2.83Å; L1234-Q1245 HydrophobicContact CD1-CB 3.68Å; L1234-Q1245 HydrophobicContact CD1-CG 4.37Å; L1234-Q1245 HydrophobicContact CG-CB 3.94Å | ||
| 1235 | E | 75.2 | Confident | 81.6 | Confident | 195 Ų | 195 | 66.1 Ų | 66.1 | 91% | 0.911 | 33% | 0.331 | S | S | * | . | trans | -77 | 81.7 | 167.6 | -66.6 | -163.6 | 159.7 | 0 | 0 | 110.9 | K1237 | E1235-K1237 PolarHBondContact O-N 3.35Š| ||
| 1236 | M | 68.7 | Low | 82 | Confident | 91 Ų | 91 | 64.2 Ų | 64.2 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | trans | -67.3 | 116.8 | 167.4 | -67.8 | -58.3 | -62.5 | 0 | 0 | 109.5 | L1234 Y1243 | L1234-M1236 VanDerWaalsContact C-N 3.31Å; L1234-M1236 PolarHBondContact O-N 3.4Å; M1236-Y1243 HydrophobicContact CB-CD2 3.98Å; M1236-Y1243 HydrophobicContact CB-CE2 3.9Å; M1236-Y1243 HydrophobicContact CG-CD1 4.25Å; M1236-Y1243 HydrophobicContact CG-CD2 3.57Å; M1236-Y1243 HydrophobicContact CG-CE1 4.35Å; M1236-Y1243 HydrophobicContact CG-CE2 3.7Å; M1236-Y1243 HydrophobicContact CG-CG 3.87Å | ||
| 1237 | K | 56.5 | Low | 82.2 | Confident | 185 Ų | 185 | 64.5 Ų | 64.5 | 80% | 0.804 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 141.4 | 168.4 | -65.5 | -177.5 | 179.7 | 179.5 | 0 | 109.2 | E1235 D1239 | E1235-K1237 PolarHBondContact O-N 3.35Å; K1237-D1239 VanDerWaalsContact C-N 3.3Å; K1237-D1239 PolarHBondContact O-N 3.31Å; K1237-D1239 VanDerWaalsContact O-N 3.16Å |
| 1238 | D | 61 | Low | 82.5 | Confident | 81 Ų | 81 | 62.2 Ų | 62.2 | 43% | 0.433 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 3.5 | 172.6 | -45.1 | -46.5 | 0 | 0 | 0 | 118.5 | ||
| 1239 | D | 68.1 | Low | 82.7 | Confident | 16 Ų | 16 | 61.4 Ų | 61.4 | 9% | 0.086 | 30% | 0.297 | C | S | . | . | trans | -112.9 | 156.7 | 168.1 | -159.1 | 4.1 | 0 | 0 | 0 | 113.4 | K1237 K1241 Y1243 K1571 R1632 | K1237-D1239 VanDerWaalsContact C-N 3.3Å; K1237-D1239 PolarHBondContact O-N 3.31Å; K1237-D1239 VanDerWaalsContact O-N 3.16Å; D1239-K1241 IonicContact OD1-NZ 3.28Å; D1239-K1241 IonicContact OD2-NZ 3.4Å; D1239-K1241 PolarHBondContact OD2-NZ 3.24Å; D1239-Y1243 HydrophobicContact CB-CE2 4.26Å; D1239-Y1243 PolarHBondContact OD2-OH 3.35Å; D1239-K1571 PolarHBondContact O-NZ 3.46Å; D1239-R1632 IonicContact OD1-NH1 2.69Å; D1239-R1632 PolarHBondContact OD1-NH1 2.95Å; D1239-R1632 VanDerWaalsContact OD1-NH1 3.07Å | ||
| 1240 | N | 69.3 | Low | 82.9 | Confident | 42 Ų | 42 | 57.7 Ų | 57.7 | 23% | 0.225 | 28% | 0.28 | C | S | . | . | trans | -113 | 22.1 | -178.4 | -74.1 | -5.9 | 0 | 0 | 0 | 112.5 | T1193 E1570 K1571 | T1193-N1240 WeakPolarHBondContact CG2-O 3.47Å; N1240-E1570 PolarHBondContact ND2-OE2 2.88Å; N1240-K1571 VanDerWaalsContact OD1-CD 3.27Å; N1240-K1571 WeakPolarHBondContact OD1-CD 3.33Å; N1240-K1571 WeakPolarHBondContact OD1-CE 3.18Å; N1240-K1571 PolarHBondContact OD1-NZ 2.76Å | ||
| 1241 | K | 79 | Confident | 82.9 | Confident | 30 Ų | 30 | 53 Ų | 53 | 13% | 0.13 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 153.7 | 174.5 | -60.7 | -168 | -148.9 | 88 | 0 | 110.8 | C1190 H1191 D1239 Y1243 | C1190-K1241 VanDerWaalsContact SG-CD 3.54Å; H1191-K1241 WeakPolarHBondContact O-CA 3.32Å; H1191-K1241 WeakPolarHBondContact O-CB 3.42Å; D1239-K1241 IonicContact OD1-NZ 3.28Å; D1239-K1241 IonicContact OD2-NZ 3.4Å; D1239-K1241 PolarHBondContact OD2-NZ 3.24Å; K1241-Y1243 HydrophobicContact CB-CD2 4.33Å; K1241-Y1243 HydrophobicContact CB-CE2 3.77Å; K1241-Y1243 WeakPolarHBondContact O-CD2 3.4Å |
| 1242 | V | 85.7 | Confident | 82.8 | Confident | 32 Ų | 32 | 52.7 Ų | 52.7 | 19% | 0.194 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 131.6 | 167.5 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | C1190 H1191 T1193 Y1233 | C1190-V1242 VanDerWaalsContact CA-O 3.3Å; C1190-V1242 WeakPolarHBondContact CA-O 3.28Å; H1191-V1242 PolarHBondContact N-O 3.38Å; H1191-V1242 VanDerWaalsContact N-O 3.13Å; H1191-V1242 PolarHBondContact O-N 3.47Å; T1193-V1242 HydrophobicContact CG2-CG2 3.71Å; Y1233-V1242 HydrophobicContact CD1-CG1 3.83Å; Y1233-V1242 HydrophobicContact CE1-CG1 3.62Å |
| 1243 | Y | 89.9 | Confident | 82.2 | Confident | 26 Ų | 26 | 51.4 Ų | 51.4 | 10% | 0.102 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 120.5 | 172.5 | -69.6 | -92.9 | 0 | 0 | 0 | 108.8 | T1188 I1189 C1190 Y1233 L1234 M1236 D1239 K1241 | T1188-Y1243 HydrophobicContact CG2-CD1 4.14Å; I1189-Y1243 WeakPolarHBondContact O-CA 3.42Å; C1190-Y1243 HydrophobicContact CB-CD1 3.9Å; C1190-Y1243 HydrophobicContact CB-CE1 3.89Å; C1190-Y1243 WeakPolarHBondContact SG-CE1 3.41Å; C1190-Y1243 VanDerWaalsContact SG-CZ 3.52Å; Y1233-Y1243 CarbonylContact C-O 3.57Å; Y1233-Y1243 WeakPolarHBondContact CA-O 3.38Å; L1234-Y1243 PolarHBondContact N-O 2.83Å; M1236-Y1243 HydrophobicContact CB-CD2 3.98Å; M1236-Y1243 HydrophobicContact CB-CE2 3.9Å; M1236-Y1243 HydrophobicContact CG-CD1 4.25Å; M1236-Y1243 HydrophobicContact CG-CD2 3.57Å; M1236-Y1243 HydrophobicContact CG-CE1 4.35Å; M1236-Y1243 HydrophobicContact CG-CE2 3.7Å; M1236-Y1243 HydrophobicContact CG-CG 3.87Å; D1239-Y1243 HydrophobicContact CB-CE2 4.26Å; D1239-Y1243 PolarHBondContact OD2-OH 3.35Å; K1241-Y1243 HydrophobicContact CB-CD2 4.33Å; K1241-Y1243 HydrophobicContact CB-CE2 3.77Å; K1241-Y1243 WeakPolarHBondContact O-CD2 3.4Å |
| 1244 | F | 93.1 | Very high | 81.9 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 122.3 | 174.5 | -173.4 | -95.8 | 0 | 0 | 0 | 109 | T1188 I1189 W1199 Y1233 F1246 M1278 | T1188-F1244 CarbonylContact C-O 3.45Å; T1188-F1244 WeakPolarHBondContact CA-O 3.44Å; I1189-F1244 PolarHBondContact N-O 3.26Å; I1189-F1244 PolarHBondContact O-N 3.27Å; W1199-F1244 HydrophobicContact CB-CD1 4.21Å; W1199-F1244 HydrophobicContact CB-CD2 3.99Å; W1199-F1244 HydrophobicContact CB-CE1 4.38Å; W1199-F1244 HydrophobicContact CB-CE2 4.15Å; W1199-F1244 HydrophobicContact CB-CG 4.01Å; W1199-F1244 HydrophobicContact CB-CZ 4.33Å; W1199-F1244 HydrophobicContact CG-CB 4.45Å; W1199-F1244 HydrophobicContact CG-CG 4.31Å; Y1233-F1244 HydrophobicContact CD1-CD2 4.11Å; Y1233-F1244 AromaticContact CD2-CD2 3.86Å; Y1233-F1244 HydrophobicContact CD2-CD2 3.86Å; Y1233-F1244 HydrophobicContact CD2-CE2 4.14Å; Y1233-F1244 HydrophobicContact CE1-CB 4.38Å; Y1233-F1244 AromaticContact CE1-CD2 3.87Å; Y1233-F1244 HydrophobicContact CE1-CD2 3.87Å; Y1233-F1244 AromaticContact CE2-CD2 3.58Å; Y1233-F1244 HydrophobicContact CE2-CD2 3.58Å; Y1233-F1244 AromaticContact CE2-CE2 3.75Å; Y1233-F1244 HydrophobicContact CE2-CE2 3.75Å; Y1233-F1244 HydrophobicContact CG-CD2 4.12Å; Y1233-F1244 AromaticContact CZ-CD2 3.6Å; F1244-F1246 HydrophobicContact CD1-CD1 4.27Å; F1244-F1246 HydrophobicContact CE1-CD1 4.07Å; F1244-M1278 HydrophobicContact CD1-CE 3.99Å; F1244-M1278 HydrophobicContact CE1-CE 3.74Å |
| 1245 | Q | 93.6 | Very high | 81.4 | Confident | 24 Ų | 24 | 49.6 Ų | 49.6 | 11% | 0.112 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 139.5 | -178.5 | -179.9 | 170.4 | 107.1 | 0 | 0 | 111.4 | R1186 V1187 T1188 G1231 H1232 L1234 | R1186-Q1245 HydrophobicContact CG-CG 4.11Å; V1187-Q1245 WeakPolarHBondContact O-CA 3.45Å; T1188-Q1245 HydrophobicContact CG2-CB 4.34Å; T1188-Q1245 PolarHBondContact OG1-NE2 2.73Å; G1231-Q1245 WeakPolarHBondContact CA-O 3.46Å; H1232-Q1245 PolarHBondContact N-O 2.92Å; H1232-Q1245 PolarHBondContact ND1-O 2.63Å; H1232-Q1245 PolarHBondContact O-N 3.15Å; L1234-Q1245 HydrophobicContact CD1-CB 3.68Å; L1234-Q1245 HydrophobicContact CD1-CG 4.37Å; L1234-Q1245 HydrophobicContact CG-CB 3.94Å |
| 1246 | F | 94 | Very high | 81.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 165 | 168.2 | 66 | -85.1 | 0 | 0 | 0 | 109.9 | V1187 I1189 C1202 L1205 L1228 F1244 I1276 M1278 | V1187-F1246 HydrophobicContact CB-CD1 4.34Å; V1187-F1246 HydrophobicContact CB-CE1 3.75Å; V1187-F1246 HydrophobicContact CB-CE2 4.12Å; V1187-F1246 HydrophobicContact CB-CZ 3.61Å; V1187-F1246 HydrophobicContact CG1-CE1 3.9Å; V1187-F1246 HydrophobicContact CG1-CZ 3.94Å; V1187-F1246 HydrophobicContact CG2-CE2 4.17Å; V1187-F1246 HydrophobicContact CG2-CZ 3.93Å; V1187-F1246 PolarHBondContact N-O 2.77Å; V1187-F1246 PolarHBondContact O-N 2.74Å; V1187-F1246 VanDerWaalsContact O-N 3.08Å; I1189-F1246 HydrophobicContact CD1-CE1 4.38Å; C1202-F1246 HydrophobicContact CB-CD1 4.35Å; C1202-F1246 HydrophobicContact CB-CD2 3.92Å; C1202-F1246 HydrophobicContact CB-CE1 4.28Å; C1202-F1246 HydrophobicContact CB-CE2 3.84Å; C1202-F1246 HydrophobicContact CB-CG 4.18Å; C1202-F1246 HydrophobicContact CB-CZ 4.04Å; L1205-F1246 HydrophobicContact CD1-CE2 3.83Å; L1205-F1246 HydrophobicContact CD1-CZ 4.49Å; L1228-F1246 HydrophobicContact CD2-CD2 3.73Å; L1228-F1246 HydrophobicContact CD2-CE2 3.85Å; F1244-F1246 HydrophobicContact CD1-CD1 4.27Å; F1244-F1246 HydrophobicContact CE1-CD1 4.07Å; F1246-I1276 HydrophobicContact CE1-CG2 4.37Å; F1246-I1276 HydrophobicContact CE2-CG2 4.38Å; F1246-I1276 HydrophobicContact CZ-CD1 4.28Å; F1246-I1276 HydrophobicContact CZ-CG2 3.59Å; F1246-M1278 HydrophobicContact CE1-CE 4.4Å; F1246-M1278 HydrophobicContact CE1-SD 3.76Å; F1246-M1278 HydrophobicContact CZ-SD 4.14Å |
| 1247 | E | 93.3 | Very high | 81.9 | Confident | 23 Ų | 23 | 43.3 Ų | 43.3 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 158.9 | 176 | -60 | -168.9 | 162.9 | 0 | 0 | 110.6 | R1184 V1185 R1186 F1229 | R1184-E1247 WeakPolarHBondContact CD-OE2 3.14Å; R1184-E1247 IonicContact CZ-OE2 3.02Å; R1184-E1247 IonicContact NE-OE2 2.81Å; R1184-E1247 IonicContact NH1-OE2 3.5Å; R1184-E1247 PolarHBondContact NH1-OE2 3.24Å; V1185-E1247 CarbonylContact O-C 3.41Å; V1185-E1247 WeakPolarHBondContact O-CA 3.42Å; R1186-E1247 HydrophobicContact CB-CG 4.09Å; R1186-E1247 HydrophobicContact CG-CG 4.11Å; R1186-E1247 IonicContact CZ-OE1 3.9Å; R1186-E1247 IonicContact NE-OE1 2.81Å; R1186-E1247 PolarHBondContact NE-OE1 2.79Å; R1186-E1247 IonicContact NH2-OE1 2.73Å; R1186-E1247 PolarHBondContact NH2-OE1 2.91Å; F1229-E1247 HydrophobicContact CB-CB 4.16Å; F1229-E1247 HydrophobicContact CD2-CB 3.71Å; F1229-E1247 HydrophobicContact CG-CB 4.25Å; F1229-E1247 PolarHBondContact N-O 3.46Å |
| 1248 | A | 93.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 137 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | R1184 V1185 L1205 L1226 G1227 L1228 | R1184-A1248 CarbonylContact C-O 3.59Å; R1184-A1248 WeakPolarHBondContact CA-O 3.29Å; V1185-A1248 PolarHBondContact N-O 2.69Å; V1185-A1248 PolarHBondContact O-N 3.22Å; L1205-A1248 HydrophobicContact CD1-CB 3.96Å; L1226-A1248 HydrophobicContact CB-CB 3.88Å; L1226-A1248 HydrophobicContact CD1-CB 3.93Å; G1227-A1248 CarbonylContact O-C 3.55Å; G1227-A1248 VanDerWaalsContact O-CA 3.26Å; G1227-A1248 WeakPolarHBondContact O-CA 3.25Å; L1228-A1248 HydrophobicContact CD2-CB 3.99Å |
| 1249 | A | 91.8 | Very high | 84.3 | Confident | 41 Ų | 41 | 35.4 Ų | 35.4 | 34% | 0.339 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 127.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110 | G1227 F1229 | G1227-A1249 PolarHBondContact O-N 2.95Å; F1229-A1249 HydrophobicContact CE2-CB 4.06Å |
| 1250 | W | 91.9 | Very high | 85.2 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.011 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 125.9 | 179 | -175.5 | 38.9 | 0 | 0 | 0 | 111.1 | I1149 L1177 R1183 V1185 I1207 L1226 S1252 H1255 L1260 M1272 | I1149-W1250 HydrophobicContact CD1-CE3 4.5Å; I1149-W1250 HydrophobicContact CD1-CZ3 3.94Å; I1149-W1250 HydrophobicContact CG2-CE3 4.1Å; I1149-W1250 HydrophobicContact CG2-CZ3 4.05Å; L1177-W1250 HydrophobicContact CD1-CH2 4.02Å; L1177-W1250 HydrophobicContact CD1-CZ3 3.74Å; R1183-W1250 CarbonylContact C-O 3.55Å; R1183-W1250 WeakPolarHBondContact CA-O 3.31Å; R1183-W1250 HydrophobicContact CB-CB 4.31Å; R1183-W1250 HydrophobicContact CB-CE3 4.12Å; R1183-W1250 WeakPolarHBondContact CB-O 3.43Å; R1183-W1250 HydrophobicContact CG-CE3 4.41Å; R1183-W1250 PolarHBondContact N-O 2.89Å; R1183-W1250 VanDerWaalsContact N-O 3.09Å; R1183-W1250 PolarHBondContact O-N 3.45Å; R1183-W1250 VanDerWaalsContact O-O 3.08Å; V1185-W1250 HydrophobicContact CG2-CB 3.96Å; V1185-W1250 HydrophobicContact CG2-CD2 4.36Å; V1185-W1250 HydrophobicContact CG2-CE3 4.19Å; V1185-W1250 HydrophobicContact CG2-CG 4.29Å; I1207-W1250 HydrophobicContact CD1-CD2 4.41Å; I1207-W1250 HydrophobicContact CD1-CG 4.33Å; L1226-W1250 HydrophobicContact CD1-CB 3.73Å; L1226-W1250 HydrophobicContact CD1-CG 4.05Å; W1250-S1252 WeakPolarHBondContact CH2-OG 3.3Å; W1250-S1252 WeakPolarHBondContact CZ2-OG 3.23Å; W1250-H1255 AromaticContact CD1-NE2 3Å; W1250-H1255 AromaticContact CE2-NE2 3.91Å; W1250-H1255 AromaticContact NE1-CD2 3.53Å; W1250-H1255 AromaticContact NE1-NE2 2.64Å; W1250-H1255 PolarHBondContact NE1-NE2 2.99Å; W1250-L1260 HydrophobicContact CZ2-CD1 4.14Å; W1250-M1272 HydrophobicContact CH2-CE 3.73Å; W1250-M1272 HydrophobicContact CH2-SD 3.74Å; W1250-M1272 HydrophobicContact CZ2-CE 3.68Å; W1250-M1272 HydrophobicContact CZ2-SD 3.77Å; W1250-M1272 HydrophobicContact CZ3-CE 4.36Å |
| 1251 | D | 85.3 | Confident | 85.9 | Confident | 66 Ų | 66 | 36.1 Ų | 36.1 | 35% | 0.353 | 21% | 0.21 | S | C | . | . | trans | -117 | 127 | 162.2 | -173.2 | -10.8 | 0 | 0 | 0 | 108.1 | S1253 L1254 | D1251-S1253 VanDerWaalsContact C-N 3.26Å; D1251-S1253 VanDerWaalsContact OD1-CB 3.3Å; D1251-S1253 WeakPolarHBondContact OD1-CB 3.25Å; D1251-S1253 PolarHBondContact OD1-N 3.32Å; D1251-S1253 PolarHBondContact OD1-OG 3.1Å; D1251-S1253 PolarHBondContact OD2-OG 2.93Å; D1251-L1254 HydrophobicContact CB-CD1 4.01Å; D1251-L1254 HydrophobicContact CB-CG 4.06Å | ||
| 1252 | S | 82.9 | Confident | 86.2 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 3% | 0.028 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -73.8 | -20.3 | 179.1 | -51.7 | 0 | 0 | 0 | 0 | 112.2 | R1183 W1250 N1261 | R1183-S1252 PolarHBondContact NH1-OG 2.62Å; W1250-S1252 WeakPolarHBondContact CH2-OG 3.3Å; W1250-S1252 WeakPolarHBondContact CZ2-OG 3.23Å; S1252-N1261 PolarHBondContact O-OD1 3.08Å |
| 1253 | S | 79.4 | Confident | 86.3 | Confident | 60 Ų | 60 | 40.3 Ų | 40.3 | 42% | 0.42 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -65.8 | -36.4 | 179.8 | 75.8 | 0 | 0 | 0 | 0 | 113.3 | D1251 H1255 N1256 N1261 | D1251-S1253 VanDerWaalsContact C-N 3.26Å; D1251-S1253 VanDerWaalsContact OD1-CB 3.3Å; D1251-S1253 WeakPolarHBondContact OD1-CB 3.25Å; D1251-S1253 PolarHBondContact OD1-N 3.32Å; D1251-S1253 PolarHBondContact OD1-OG 3.1Å; D1251-S1253 PolarHBondContact OD2-OG 2.93Å; S1253-H1255 PolarHBondContact O-N 2.85Å; S1253-H1255 VanDerWaalsContact O-N 3.15Å; S1253-N1256 PolarHBondContact O-N 2.82Å; S1253-N1261 WeakPolarHBondContact CA-OD1 3.28Å |
| 1254 | L | 83.5 | Confident | 86.1 | Confident | 113 Ų | 113 | 39.8 Ų | 39.8 | 59% | 0.592 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -66.1 | -14.6 | -176.1 | -63.5 | 177.8 | 0 | 0 | 0 | 114.4 | L1224 D1251 N1256 | L1224-L1254 HydrophobicContact CD2-CB 3.54Å; L1224-L1254 HydrophobicContact CD2-CD1 4.27Å; D1251-L1254 HydrophobicContact CB-CD1 4.01Å; D1251-L1254 HydrophobicContact CB-CG 4.06Å; L1254-N1256 PolarHBondContact O-N 2.95Å |
| 1255 | H | 74.3 | Confident | 85.7 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 3% | 0.032 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -78 | -2.9 | -177.3 | -79.1 | -86 | 0 | 0 | 0 | 114.3 | I1207 I1210 L1224 W1250 S1253 S1257 L1260 | I1207-H1255 WeakPolarHBondContact CA-CE1 3.14Å; I1207-H1255 WeakPolarHBondContact CB-CE1 3.08Å; I1207-H1255 WeakPolarHBondContact CG2-CE1 3.36Å; I1207-H1255 PolarHBondContact O-CE1 3.25Å; I1210-H1255 HydrophobicContact CD1-CB 3.58Å; I1210-H1255 WeakPolarHBondContact CD1-ND1 3.44Å; L1224-H1255 WeakPolarHBondContact CB-CE1 3.11Å; L1224-H1255 WeakPolarHBondContact CD2-NE2 3.48Å; W1250-H1255 AromaticContact CD1-NE2 3Å; W1250-H1255 AromaticContact CE2-NE2 3.91Å; W1250-H1255 AromaticContact NE1-CD2 3.53Å; W1250-H1255 AromaticContact NE1-NE2 2.64Å; W1250-H1255 PolarHBondContact NE1-NE2 2.99Å; S1253-H1255 PolarHBondContact O-N 2.85Å; S1253-H1255 VanDerWaalsContact O-N 3.15Å; H1255-S1257 PolarHBondContact O-N 2.87Å; H1255-L1260 HydrophobicContact CB-CD1 3.9Å |
| 1256 | N | 71.9 | Confident | 85 | Confident | 145 Ų | 145 | 51.6 Ų | 51.6 | 78% | 0.775 | 29% | 0.289 | S | S | * | . | trans | 53.4 | 7 | -175 | -160.2 | 29.2 | 0 | 0 | 0 | 115.3 | S1253 L1254 | S1253-N1256 PolarHBondContact O-N 2.82Å; L1254-N1256 PolarHBondContact O-N 2.95Å | ||
| 1257 | S | 81.3 | Confident | 84.2 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 7% | 0.07 | 33% | 0.326 | C | S | . | . | trans | -93.4 | 121.2 | -169.3 | -168 | 0 | 0 | 0 | 0 | 111.3 | I1210 H1255 L1259 L1260 N1261 | I1210-S1257 WeakPolarHBondContact CG2-OG 3.24Å; H1255-S1257 PolarHBondContact O-N 2.87Å; S1257-L1259 PolarHBondContact O-N 2.93Å; S1257-L1260 PolarHBondContact O-N 3.48Å; S1257-N1261 PolarHBondContact O-N 2.94Å | ||
| 1258 | A | 82.6 | Confident | 83.7 | Confident | 72 Ų | 72 | 56.4 Ų | 56.4 | 60% | 0.595 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -8.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1262 | A1258-R1262 WeakPolarHBondContact O-CD 3.4Å; A1258-R1262 VanDerWaalsContact O-CG 3.23Å; A1258-R1262 WeakPolarHBondContact O-CG 3.05Å; A1258-R1262 PolarHBondContact O-NE 3.13Å; A1258-R1262 VanDerWaalsContact O-NE 3.09Å |
| 1259 | L | 86.6 | Confident | 83.4 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -33.6 | 171.6 | -61.7 | -173.7 | 0 | 0 | 0 | 112.9 | I1210 S1257 V1270 | I1210-L1259 HydrophobicContact CG2-CB 3.93Å; I1210-L1259 HydrophobicContact CG2-CD1 4.23Å; S1257-L1259 PolarHBondContact O-N 2.93Å; L1259-V1270 HydrophobicContact CB-CG1 4.02Å; L1259-V1270 HydrophobicContact CB-CG2 4.11Å |
| 1260 | L | 86.9 | Confident | 83.3 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -21.8 | 177.5 | -73.6 | -175.6 | 0 | 0 | 0 | 113.3 | I1210 W1250 H1255 S1257 V1270 L1297 | I1210-L1260 HydrophobicContact CD1-CD1 3.51Å; I1210-L1260 HydrophobicContact CD1-CG 4.21Å; I1210-L1260 HydrophobicContact CG1-CD1 4.2Å; I1210-L1260 HydrophobicContact CG2-CG 4.11Å; W1250-L1260 HydrophobicContact CZ2-CD1 4.14Å; H1255-L1260 HydrophobicContact CB-CD1 3.9Å; S1257-L1260 PolarHBondContact O-N 3.48Å; L1260-V1270 HydrophobicContact CD2-CG1 4.08Å; L1260-L1297 HydrophobicContact CD2-CD1 4Å; L1260-L1297 VanDerWaalsContact O-CD1 3.29Å; L1260-L1297 WeakPolarHBondContact O-CD1 3.43Å |
| 1261 | N | 83.3 | Confident | 83.2 | Confident | 68 Ų | 68 | 60.9 Ų | 60.9 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -91.6 | 3.8 | -174.1 | -69.2 | -7 | 0 | 0 | 0 | 114.5 | Q1179 S1252 S1253 S1257 | Q1179-N1261 PolarHBondContact NE2-O 2.87Å; S1252-N1261 PolarHBondContact O-OD1 3.08Å; S1253-N1261 WeakPolarHBondContact CA-OD1 3.28Å; S1257-N1261 PolarHBondContact O-N 2.94Å |
| 1262 | R | 86.3 | Confident | 83.4 | Confident | 87 Ų | 87 | 57.8 Ų | 57.8 | 33% | 0.328 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -128.3 | 159.8 | 178.6 | 70.3 | -175.7 | 168.2 | 97.1 | -2.3 | 112.9 | A1258 T1264 E1268 | A1258-R1262 WeakPolarHBondContact O-CD 3.4Å; A1258-R1262 VanDerWaalsContact O-CG 3.23Å; A1258-R1262 WeakPolarHBondContact O-CG 3.05Å; A1258-R1262 PolarHBondContact O-NE 3.13Å; A1258-R1262 VanDerWaalsContact O-NE 3.09Å; R1262-T1264 PolarHBondContact O-N 2.95Å; R1262-E1268 IonicContact CZ-OE1 2.62Å; R1262-E1268 IonicContact CZ-OE2 3.74Å; R1262-E1268 IonicContact NH1-OE1 3.55Å; R1262-E1268 IonicContact NH1-OE2 2.64Å; R1262-E1268 PolarHBondContact NH1-OE2 2.88Å; R1262-E1268 VanDerWaalsContact NH2-CD 3.26Å; R1262-E1268 IonicContact NH2-OE1 3.91Å; R1262-E1268 PolarHBondContact NH2-OE1 2.96Å; R1262-E1268 IonicContact NH2-OE2 3.57Å; R1262-E1268 PolarHBondContact NH2-OE2 3.04Å; R1262-E1268 VanDerWaalsContact NH2-OE2 3.08Å |
| 1263 | V | 86.9 | Confident | 83.7 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 39% | 0.388 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 127.3 | 161.5 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | Q1179 L1297 | Q1179-V1263 VanDerWaalsContact OE1-CG2 3.26Å; V1263-L1297 WeakPolarHBondContact CA-O 3.4Å; V1263-L1297 WeakPolarHBondContact CG1-O 3.46Å |
| 1264 | T | 86.4 | Confident | 84.2 | Confident | 14 Ų | 14 | 54.7 Ų | 54.7 | 9% | 0.086 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 136.3 | 178.8 | -53.9 | 0 | 0 | 0 | 0 | 110 | R1262 E1268 V1296 L1297 | R1262-T1264 PolarHBondContact O-N 2.95Å; T1264-E1268 HydrophobicContact CG2-CB 3.75Å; T1264-E1268 HydrophobicContact CG2-CG 3.92Å; T1264-E1268 WeakPolarHBondContact CG2-O 3.42Å; T1264-V1296 HydrophobicContact CG2-CG1 4.35Å; T1264-L1297 PolarHBondContact N-O 3.32Å; T1264-L1297 PolarHBondContact OG1-N 2.81Å |
| 1265 | A | 83.7 | Confident | 84.6 | Confident | 52 Ų | 52 | 49.3 Ų | 49.3 | 43% | 0.43 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 156.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1267 E1268 | A1265-G1267 PolarHBondContact O-N 3.25Å; A1265-G1267 VanDerWaalsContact O-N 3.12Å; A1265-E1268 HydrophobicContact CB-CB 4.04Å; A1265-E1268 WeakPolarHBondContact CB-OE2 3.28Å; A1265-E1268 PolarHBondContact N-OE2 2.88Å; A1265-E1268 WeakPolarHBondContact O-CB 3.37Å; A1265-E1268 PolarHBondContact O-N 2.8Å |
| 1266 | F | 78.8 | Confident | 85.4 | Confident | 223 Ų | 223 | 49 Ų | 49 | 98% | 0.978 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 118.9 | 179.9 | -177.7 | -93.4 | 0 | 0 | 0 | 111.3 | E1268 | F1266-E1268 VanDerWaalsContact C-N 3.34Š|
| 1267 | G | 77 | Confident | 86.3 | Confident | 75 Ų | 75 | 42.3 Ų | 42.3 | 77% | 0.773 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88 | -10.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1265 | A1265-G1267 PolarHBondContact O-N 3.25Å; A1265-G1267 VanDerWaalsContact O-N 3.12Å |
| 1268 | E | 84 | Confident | 86.8 | Confident | 49 Ų | 49 | 41.9 Ų | 41.9 | 23% | 0.229 | 24% | 0.235 | C | C | . | . | trans | -77.4 | 155.5 | 172.1 | -174.5 | 176.1 | -152.1 | 0 | 0 | 110.9 | R1262 T1264 A1265 F1266 | R1262-E1268 IonicContact CZ-OE1 2.62Å; R1262-E1268 IonicContact CZ-OE2 3.74Å; R1262-E1268 IonicContact NH1-OE1 3.55Å; R1262-E1268 IonicContact NH1-OE2 2.64Å; R1262-E1268 PolarHBondContact NH1-OE2 2.88Å; R1262-E1268 VanDerWaalsContact NH2-CD 3.26Å; R1262-E1268 IonicContact NH2-OE1 3.91Å; R1262-E1268 PolarHBondContact NH2-OE1 2.96Å; R1262-E1268 IonicContact NH2-OE2 3.57Å; R1262-E1268 PolarHBondContact NH2-OE2 3.04Å; R1262-E1268 VanDerWaalsContact NH2-OE2 3.08Å; T1264-E1268 HydrophobicContact CG2-CB 3.75Å; T1264-E1268 HydrophobicContact CG2-CG 3.92Å; T1264-E1268 WeakPolarHBondContact CG2-O 3.42Å; A1265-E1268 HydrophobicContact CB-CB 4.04Å; A1265-E1268 WeakPolarHBondContact CB-OE2 3.28Å; A1265-E1268 PolarHBondContact N-OE2 2.88Å; A1265-E1268 WeakPolarHBondContact O-CB 3.37Å; A1265-E1268 PolarHBondContact O-N 2.8Å; F1266-E1268 VanDerWaalsContact C-N 3.34Å | ||
| 1269 | K | 87.4 | Confident | 87.1 | Confident | 88 Ų | 88 | 41.3 Ų | 41.3 | 38% | 0.383 | 22% | 0.22 | S | C | . | . | trans | -139 | 145.7 | 173.3 | -67.1 | -177.4 | 176.2 | -174.4 | 0 | 109.5 | Y1271 T1294 V1296 | K1269-Y1271 HydrophobicContact CB-CE2 4.14Å; K1269-T1294 HydrophobicContact CB-CG2 4.12Å; K1269-T1294 HydrophobicContact CD-CG2 3.9Å; K1269-T1294 HydrophobicContact CG-CG2 4.41Å; K1269-V1296 HydrophobicContact CG-CG2 4.28Å | ||
| 1270 | V | 88.6 | Confident | 87.2 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130.5 | 171 | -172.5 | 0 | 0 | 0 | 0 | 108.4 | I1210 L1259 L1260 T1294 V1295 | I1210-V1270 HydrophobicContact CG2-CG1 3.78Å; L1259-V1270 HydrophobicContact CB-CG1 4.02Å; L1259-V1270 HydrophobicContact CB-CG2 4.11Å; L1260-V1270 HydrophobicContact CD2-CG1 4.08Å; V1270-T1294 CarbonylContact O-C 3.55Å; V1270-T1294 WeakPolarHBondContact O-CA 3.47Å; V1270-V1295 HydrophobicContact CB-CB 4.48Å; V1270-V1295 PolarHBondContact N-O 2.84Å; V1270-V1295 PolarHBondContact O-N 3.08Å |
| 1271 | Y | 89.2 | Confident | 87 | Confident | 49 Ų | 49 | 43.7 Ų | 43.7 | 19% | 0.192 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 143.1 | 172.1 | -58.4 | -92.3 | 0 | 0 | 0 | 108.8 | I1210 R1211 P1214 K1269 L1293 T1294 | I1210-Y1271 WeakPolarHBondContact CA-O 3.45Å; R1211-Y1271 PolarHBondContact N-O 3.29Å; R1211-Y1271 PolarHBondContact O-N 3.16Å; P1214-Y1271 HydrophobicContact CB-CE1 4.2Å; K1269-Y1271 HydrophobicContact CB-CE2 4.14Å; Y1271-L1293 WeakPolarHBondContact CA-O 3.32Å; Y1271-T1294 HydrophobicContact CD1-CG2 4.17Å; Y1271-T1294 HydrophobicContact CE1-CG2 3.96Å |
| 1272 | M | 89.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 136.7 | 178.9 | 51 | -175.6 | -104.8 | 0 | 0 | 109.5 | I1207 I1210 W1250 L1293 V1295 | I1207-M1272 HydrophobicContact CD1-CE 3.86Å; I1207-M1272 HydrophobicContact CG2-CB 4.39Å; I1207-M1272 HydrophobicContact CG2-CE 3.71Å; I1207-M1272 HydrophobicContact CG2-SD 4.41Å; I1210-M1272 HydrophobicContact CG1-CB 4.27Å; W1250-M1272 HydrophobicContact CH2-CE 3.73Å; W1250-M1272 HydrophobicContact CH2-SD 3.74Å; W1250-M1272 HydrophobicContact CZ2-CE 3.68Å; W1250-M1272 HydrophobicContact CZ2-SD 3.77Å; W1250-M1272 HydrophobicContact CZ3-CE 4.36Å; M1272-L1293 HydrophobicContact CE-CD1 4.29Å; M1272-L1293 HydrophobicContact CG-CB 4.22Å; M1272-L1293 PolarHBondContact N-O 2.96Å; M1272-L1293 PolarHBondContact O-N 3.43Å; M1272-V1295 HydrophobicContact CG-CG2 4.36Å; M1272-V1295 HydrophobicContact SD-CG2 3.81Å |
| 1273 | T | 89.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 135.7 | 174.5 | -52.3 | 0 | 0 | 0 | 0 | 109 | I1121 I1207 G1208 K1291 D1292 | I1121-T1273 HydrophobicContact CD1-CG2 4.19Å; I1121-T1273 VanDerWaalsContact CD1-O 3.27Å; I1121-T1273 WeakPolarHBondContact CD1-O 3.47Å; I1121-T1273 HydrophobicContact CG1-CG2 4.18Å; I1207-T1273 WeakPolarHBondContact CA-O 3.44Å; G1208-T1273 PolarHBondContact N-O 2.82Å; G1208-T1273 PolarHBondContact O-N 2.86Å; T1273-K1291 CarbonylContact C-O 3.59Å; T1273-K1291 WeakPolarHBondContact CA-O 3.5Å; T1273-D1292 PolarHBondContact OG1-OD1 2.85Å |
| 1274 | I | 91.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.6 | 168.8 | -176.8 | 173 | 0 | 0 | 0 | 108.6 | F1147 V1185 L1205 V1206 I1207 I1276 S1290 K1291 L1293 | F1147-I1274 HydrophobicContact CD1-CG2 4.4Å; F1147-I1274 HydrophobicContact CE1-CG2 4.16Å; V1185-I1274 HydrophobicContact CG1-CD1 3.88Å; L1205-I1274 HydrophobicContact CD1-CD1 4.02Å; L1205-I1274 HydrophobicContact CD2-CD1 3.84Å; L1205-I1274 HydrophobicContact CD2-CG1 3.9Å; L1205-I1274 HydrophobicContact CG-CD1 4.05Å; L1205-I1274 HydrophobicContact CG-CG1 4.12Å; V1206-I1274 CarbonylContact O-C 3.36Å; V1206-I1274 WeakPolarHBondContact O-CA 3.13Å; I1207-I1274 HydrophobicContact CD1-CD1 4.48Å; I1207-I1274 HydrophobicContact CG1-CB 4.23Å; I1207-I1274 HydrophobicContact CG1-CD1 4.38Å; I1207-I1274 HydrophobicContact CG1-CG1 4.02Å; I1274-I1276 HydrophobicContact CG1-CG1 4.29Å; I1274-S1290 CarbonylContact O-C 3.49Å; I1274-S1290 VanDerWaalsContact O-CA 3.23Å; I1274-S1290 WeakPolarHBondContact O-CA 2.89Å; I1274-K1291 HydrophobicContact CG2-CB 3.78Å; I1274-K1291 WeakPolarHBondContact CG2-O 3.45Å; I1274-K1291 PolarHBondContact N-O 2.94Å; I1274-K1291 PolarHBondContact O-N 2.88Å; I1274-L1293 HydrophobicContact CB-CD1 4.46Å; I1274-L1293 HydrophobicContact CG2-CD1 3.91Å; I1274-L1293 HydrophobicContact CG2-CG 3.95Å |
| 1275 | S | 90.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 123.5 | 179 | -70.4 | 0 | 0 | 0 | 0 | 110.3 | P1120 I1121 L1205 V1206 S1290 | P1120-S1275 WeakPolarHBondContact CA-OG 3.31Å; I1121-S1275 PolarHBondContact N-OG 2.85Å; L1205-S1275 CarbonylContact C-O 3.58Å; L1205-S1275 WeakPolarHBondContact CA-O 3.19Å; V1206-S1275 PolarHBondContact N-O 3.5Å; V1206-S1275 PolarHBondContact O-N 2.82Å; S1275-S1290 WeakPolarHBondContact CB-OG 3.27Å; S1275-S1290 PolarHBondContact OG-OG 2.72Å |
| 1276 | I | 92.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 123.4 | -171 | -57.6 | 165.5 | 0 | 0 | 0 | 108.1 | F1147 V1187 L1205 F1246 I1274 M1278 V1288 I1289 | F1147-I1276 HydrophobicContact CE1-CD1 3.86Å; V1187-I1276 HydrophobicContact CG1-CD1 4Å; V1187-I1276 HydrophobicContact CG2-CD1 4Å; L1205-I1276 HydrophobicContact CD1-CG1 4.1Å; L1205-I1276 HydrophobicContact CG-CG1 4.02Å; F1246-I1276 HydrophobicContact CE1-CG2 4.37Å; F1246-I1276 HydrophobicContact CE2-CG2 4.38Å; F1246-I1276 HydrophobicContact CZ-CD1 4.28Å; F1246-I1276 HydrophobicContact CZ-CG2 3.59Å; I1274-I1276 HydrophobicContact CG1-CG1 4.29Å; I1276-M1278 HydrophobicContact CG2-CG 3.88Å; I1276-M1278 HydrophobicContact CG2-SD 3.6Å; I1276-M1278 VanDerWaalsContact CG2-SD 3.6Å; I1276-V1288 CarbonylContact O-C 3.6Å; I1276-V1288 VanDerWaalsContact O-CA 3.31Å; I1276-V1288 WeakPolarHBondContact O-CA 3.46Å; I1276-I1289 HydrophobicContact CB-CB 4.27Å; I1276-I1289 HydrophobicContact CD1-CG2 4.43Å; I1276-I1289 PolarHBondContact N-O 2.85Å; I1276-I1289 PolarHBondContact O-N 3.42Å |
| 1277 | Y | 90.5 | Very high | 85.3 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 2% | 0.02 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 99.8 | 179.4 | -71.4 | -98.5 | 0 | 0 | 0 | 109.4 | I1121 S1123 Q1203 E1204 V1206 L1286 V1288 | I1121-Y1277 PolarHBondContact O-OH 3.43Å; S1123-Y1277 VanDerWaalsContact CB-CZ 3.5Å; S1123-Y1277 PolarHBondContact N-OH 2.97Å; S1123-Y1277 VanDerWaalsContact N-OH 3.09Å; Q1203-Y1277 PolarHBondContact N-O 3.42Å; E1204-Y1277 HydrophobicContact CB-CD2 4.36Å; E1204-Y1277 PolarHBondContact O-N 2.83Å; V1206-Y1277 HydrophobicContact CG2-CE2 4.4Å; Y1277-L1286 HydrophobicContact CD1-CD1 4.49Å; Y1277-V1288 HydrophobicContact CD1-CG1 4.29Å; Y1277-V1288 HydrophobicContact CD1-CG2 3.65Å; Y1277-V1288 HydrophobicContact CD2-CG1 4.45Å; Y1277-V1288 HydrophobicContact CE1-CB 4.49Å; Y1277-V1288 HydrophobicContact CE1-CG1 4.01Å; Y1277-V1288 HydrophobicContact CE1-CG2 3.58Å; Y1277-V1288 HydrophobicContact CE2-CG1 4.17Å; Y1277-V1288 HydrophobicContact CG-CG1 4.49Å; Y1277-V1288 HydrophobicContact CG-CG2 4.45Å |
| 1278 | M | 91.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 139.4 | -176.6 | -64.5 | -62.1 | -56.1 | 0 | 0 | 112 | I1189 W1199 C1202 F1244 F1246 I1276 L1286 A1287 I1289 | I1189-M1278 HydrophobicContact CD1-CE 3.72Å; I1189-M1278 HydrophobicContact CD1-CG 4.1Å; I1189-M1278 HydrophobicContact CD1-SD 3.83Å; W1199-M1278 HydrophobicContact CB-CE 4.44Å; W1199-M1278 HydrophobicContact CD2-CE 4.25Å; W1199-M1278 HydrophobicContact CE3-CB 3.85Å; W1199-M1278 HydrophobicContact CE3-CE 3.66Å; W1199-M1278 HydrophobicContact CE3-CG 4.23Å; W1199-M1278 HydrophobicContact CZ3-CB 3.64Å; W1199-M1278 HydrophobicContact CZ3-CE 4.33Å; W1199-M1278 HydrophobicContact CZ3-CG 3.97Å; C1202-M1278 HydrophobicContact CB-SD 3.93Å; F1244-M1278 HydrophobicContact CD1-CE 3.99Å; F1244-M1278 HydrophobicContact CE1-CE 3.74Å; F1246-M1278 HydrophobicContact CE1-CE 4.4Å; F1246-M1278 HydrophobicContact CE1-SD 3.76Å; F1246-M1278 HydrophobicContact CZ-SD 4.14Å; I1276-M1278 HydrophobicContact CG2-CG 3.88Å; I1276-M1278 HydrophobicContact CG2-SD 3.6Å; I1276-M1278 VanDerWaalsContact CG2-SD 3.6Å; M1278-L1286 CarbonylContact O-C 3.6Å; M1278-L1286 WeakPolarHBondContact O-CA 3.45Å; M1278-A1287 HydrophobicContact CB-CB 4.41Å; M1278-A1287 WeakPolarHBondContact CB-O 3.19Å; M1278-A1287 PolarHBondContact N-O 3.02Å; M1278-A1287 PolarHBondContact O-N 3.33Å; M1278-I1289 HydrophobicContact CG-CD1 3.97Å |
| 1279 | E | 88.9 | Confident | 86.2 | Confident | 61 Ų | 61 | 29 Ų | 29 | 29% | 0.285 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 135.6 | 171.1 | -167.6 | 178.4 | 163.3 | 0 | 0 | 111.5 | I1200 D1201 Q1203 L1286 | I1200-E1279 HydrophobicContact CB-CB 4.09Å; I1200-E1279 HydrophobicContact CB-CG 4.04Å; I1200-E1279 HydrophobicContact CD1-CG 4.14Å; I1200-E1279 HydrophobicContact CG2-CG 4.42Å; I1200-E1279 PolarHBondContact N-O 2.98Å; D1201-E1279 PolarHBondContact O-N 3.49Å; Q1203-E1279 HydrophobicContact CG-CB 4.22Å; Q1203-E1279 PolarHBondContact NE2-OE2 2.66Å; E1279-L1286 HydrophobicContact CB-CD2 3.83Å; E1279-L1286 HydrophobicContact CG-CD2 4.03Å |
| 1280 | I | 88.2 | Confident | 86.2 | Confident | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.1 | -179.2 | -58.7 | 178.6 | 0 | 0 | 0 | 109 | L1197 W1199 C1283 A1287 L1333 A1548 | L1197-I1280 HydrophobicContact CD1-CD1 3.88Å; L1197-I1280 HydrophobicContact CD1-CG1 4.31Å; L1197-I1280 HydrophobicContact CD1-CG2 3.8Å; W1199-I1280 HydrophobicContact CE3-CD1 4.15Å; W1199-I1280 HydrophobicContact CE3-CG1 3.72Å; W1199-I1280 HydrophobicContact CH2-CD1 3.97Å; W1199-I1280 HydrophobicContact CH2-CG1 4.45Å; W1199-I1280 HydrophobicContact CZ3-CD1 3.6Å; W1199-I1280 HydrophobicContact CZ3-CG1 3.66Å; I1280-C1283 HydrophobicContact CB-CB 4.18Å; I1280-C1283 WeakPolarHBondContact O-CB 3.37Å; I1280-C1283 PolarHBondContact O-N 2.98Å; I1280-A1287 HydrophobicContact CD1-CB 3.54Å; I1280-A1287 HydrophobicContact CG1-CB 4.22Å; I1280-L1333 HydrophobicContact CD1-CD1 4.27Å; I1280-L1333 HydrophobicContact CD1-CD2 3.98Å; I1280-A1548 HydrophobicContact CD1-CB 4.23Å |
| 1281 | E | 84 | Confident | 86.3 | Confident | 77 Ų | 77 | 26 Ų | 26 | 36% | 0.36 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 140.1 | 177.6 | -163.9 | 168 | -104.6 | 0 | 0 | 111.7 | K1198 I1200 C1283 | K1198-E1281 HydrophobicContact CB-CB 4.23Å; K1198-E1281 HydrophobicContact CD-CB 4.23Å; K1198-E1281 VanDerWaalsContact CD-CD 3.46Å; K1198-E1281 HydrophobicContact CD-CG 4.48Å; K1198-E1281 WeakPolarHBondContact CD-OE2 3.43Å; K1198-E1281 VanDerWaalsContact NZ-CD 3.32Å; K1198-E1281 IonicContact NZ-OE1 3.58Å; K1198-E1281 PolarHBondContact NZ-OE1 3.2Å; K1198-E1281 IonicContact NZ-OE2 2.69Å; K1198-E1281 PolarHBondContact NZ-OE2 2.88Å; K1198-E1281 PolarHBondContact O-N 3.34Å; K1198-E1281 VanDerWaalsContact O-N 3.07Å; I1200-E1281 HydrophobicContact CD1-CB 4.13Å; I1200-E1281 HydrophobicContact CG1-CB 4.39Å; E1281-C1283 PolarHBondContact O-N 3.29Å; E1281-C1283 VanDerWaalsContact O-N 3.15Å |
| 1282 | N | 79.8 | Confident | 86.3 | Confident | 94 Ų | 94 | 25.2 Ų | 25.2 | 50% | 0.503 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 8.8 | -176.1 | -57.3 | -60.5 | 0 | 0 | 0 | 117 | G1544 C1545 Y1546 | N1282-G1544 CarbonylContact O-C 3.54Å; N1282-G1544 VanDerWaalsContact O-CA 3.26Å; N1282-G1544 WeakPolarHBondContact O-CA 3.44Å; N1282-C1545 PolarHBondContact O-N 2.86Å; N1282-Y1546 HydrophobicContact CB-CD2 4.32Å; N1282-Y1546 PolarHBondContact O-N 2.62Å; N1282-Y1546 VanDerWaalsContact O-N 3.13Å |
| 1283 | C | 76.6 | Confident | 86.3 | Confident | 25 Ų | 25 | 25.3 Ų | 25.3 | 17% | 0.169 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -94.2 | 141.9 | 172.9 | -66.4 | 0 | 0 | 0 | 0 | 112.3 | I1280 E1281 Y1546 | I1280-C1283 HydrophobicContact CB-CB 4.18Å; I1280-C1283 WeakPolarHBondContact O-CB 3.37Å; I1280-C1283 PolarHBondContact O-N 2.98Å; E1281-C1283 PolarHBondContact O-N 3.29Å; E1281-C1283 VanDerWaalsContact O-N 3.15Å; C1283-Y1546 CarbonylContact C-O 3.5Å; C1283-Y1546 WeakPolarHBondContact CA-O 3.31Å |
| 1284 | S | 68.6 | Low | 86.5 | Confident | 63 Ų | 63 | 26.6 Ų | 26.6 | 44% | 0.441 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -90.9 | -4.2 | 177.5 | 59.5 | 0 | 0 | 0 | 0 | 113.8 | Y1546 I1547 | S1284-Y1546 PolarHBondContact N-O 2.89Å; S1284-Y1546 PolarHBondContact OG-O 3.42Å; S1284-I1547 WeakPolarHBondContact OG-CG1 3.35Å |
| 1285 | Q | 73.7 | Confident | 86.5 | Confident | 55 Ų | 55 | 26.6 Ų | 26.6 | 26% | 0.257 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -143.5 | 144.5 | -179.4 | -63.5 | -173.1 | -6.7 | 0 | 0 | 109.4 | ||
| 1286 | L | 83.3 | Confident | 86.5 | Confident | 48 Ų | 48 | 27.6 Ų | 27.6 | 25% | 0.251 | 15% | 0.151 | S | C | . | . | trans | -69.5 | 140.6 | 176.8 | -59.2 | 178.1 | 0 | 0 | 0 | 111 | T1126 Q1203 Y1277 M1278 E1279 | T1126-L1286 HydrophobicContact CG2-CD1 4.12Å; Q1203-L1286 HydrophobicContact CB-CD1 3.96Å; Q1203-L1286 HydrophobicContact CG-CD1 4.16Å; Q1203-L1286 HydrophobicContact CG-CD2 4.05Å; Y1277-L1286 HydrophobicContact CD1-CD1 4.49Å; M1278-L1286 CarbonylContact O-C 3.6Å; M1278-L1286 WeakPolarHBondContact O-CA 3.45Å; E1279-L1286 HydrophobicContact CB-CD2 3.83Å; E1279-L1286 HydrophobicContact CG-CD2 4.03Å | ||
| 1287 | A | 86.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 123.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | W1199 M1278 I1280 A1548 V1550 | W1199-A1287 HydrophobicContact CZ3-CB 4.49Å; M1278-A1287 HydrophobicContact CB-CB 4.41Å; M1278-A1287 WeakPolarHBondContact CB-O 3.19Å; M1278-A1287 PolarHBondContact N-O 3.02Å; M1278-A1287 PolarHBondContact O-N 3.33Å; I1280-A1287 HydrophobicContact CD1-CB 3.54Å; I1280-A1287 HydrophobicContact CG1-CB 4.22Å; A1287-A1548 HydrophobicContact CB-CB 3.82Å; A1287-V1550 HydrophobicContact CB-CG2 3.95Å |
| 1288 | V | 88.6 | Confident | 86.2 | Confident | 37 Ų | 37 | 31.1 Ų | 31.1 | 22% | 0.224 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 104.6 | -171.6 | -165.5 | 0 | 0 | 0 | 0 | 111.8 | P1120 I1276 Y1277 | P1120-V1288 HydrophobicContact CB-CG1 3.64Å; P1120-V1288 HydrophobicContact CG-CG1 4.37Å; I1276-V1288 CarbonylContact O-C 3.6Å; I1276-V1288 VanDerWaalsContact O-CA 3.31Å; I1276-V1288 WeakPolarHBondContact O-CA 3.46Å; Y1277-V1288 HydrophobicContact CD1-CG1 4.29Å; Y1277-V1288 HydrophobicContact CD1-CG2 3.65Å; Y1277-V1288 HydrophobicContact CD2-CG1 4.45Å; Y1277-V1288 HydrophobicContact CE1-CB 4.49Å; Y1277-V1288 HydrophobicContact CE1-CG1 4.01Å; Y1277-V1288 HydrophobicContact CE1-CG2 3.58Å; Y1277-V1288 HydrophobicContact CE2-CG1 4.17Å; Y1277-V1288 HydrophobicContact CG-CG1 4.49Å; Y1277-V1288 HydrophobicContact CG-CG2 4.45Å |
| 1289 | I | 91 | Very high | 85.8 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 125.9 | 174.3 | -61.2 | 165.8 | 0 | 0 | 0 | 107.9 | F1147 I1189 I1276 M1278 Y1331 V1550 | F1147-I1289 HydrophobicContact CZ-CG2 4.33Å; I1189-I1289 HydrophobicContact CD1-CD1 3.6Å; I1189-I1289 HydrophobicContact CG1-CD1 4.19Å; I1276-I1289 HydrophobicContact CB-CB 4.27Å; I1276-I1289 HydrophobicContact CD1-CG2 4.43Å; I1276-I1289 PolarHBondContact N-O 2.85Å; I1276-I1289 PolarHBondContact O-N 3.42Å; M1278-I1289 HydrophobicContact CG-CD1 3.97Å; I1289-Y1331 HydrophobicContact CG2-CD1 4.39Å; I1289-Y1331 HydrophobicContact CG2-CD2 4.44Å; I1289-Y1331 HydrophobicContact CG2-CE1 3.89Å; I1289-Y1331 HydrophobicContact CG2-CE2 3.94Å; I1289-V1550 HydrophobicContact CG1-CG1 4.12Å |
| 1290 | S | 89.3 | Confident | 85.4 | Confident | 17 Ų | 17 | 38.5 Ų | 38.5 | 12% | 0.119 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 146.1 | 176.3 | -65.1 | 0 | 0 | 0 | 0 | 112.6 | I1274 S1275 Y1331 | I1274-S1290 CarbonylContact O-C 3.49Å; I1274-S1290 VanDerWaalsContact O-CA 3.23Å; I1274-S1290 WeakPolarHBondContact O-CA 2.89Å; S1275-S1290 WeakPolarHBondContact CB-OG 3.27Å; S1275-S1290 PolarHBondContact OG-OG 2.72Å; S1290-Y1331 VanDerWaalsContact O-CE1 3.31Å; S1290-Y1331 WeakPolarHBondContact O-CE1 3.43Å; S1290-Y1331 PolarHBondContact O-OH 3.48Å |
| 1291 | K | 90.3 | Very high | 84.8 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 4% | 0.043 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 146.2 | -178.4 | -172.9 | 55.5 | 174.4 | 168.7 | 0 | 110.3 | F1147 T1171 T1273 I1274 L1293 Y1331 E1552 | F1147-K1291 HydrophobicContact CD2-CG 4.35Å; F1147-K1291 HydrophobicContact CE1-CB 4Å; F1147-K1291 HydrophobicContact CE1-CG 4.48Å; F1147-K1291 HydrophobicContact CE2-CB 4.15Å; F1147-K1291 HydrophobicContact CE2-CG 4Å; F1147-K1291 HydrophobicContact CZ-CB 3.7Å; F1147-K1291 HydrophobicContact CZ-CG 4.08Å; T1171-K1291 WeakPolarHBondContact O-CE 3.46Å; T1171-K1291 PolarHBondContact O-NZ 3.4Å; T1273-K1291 CarbonylContact C-O 3.59Å; T1273-K1291 WeakPolarHBondContact CA-O 3.5Å; I1274-K1291 HydrophobicContact CG2-CB 3.78Å; I1274-K1291 WeakPolarHBondContact CG2-O 3.45Å; I1274-K1291 PolarHBondContact N-O 2.94Å; I1274-K1291 PolarHBondContact O-N 2.88Å; K1291-L1293 HydrophobicContact CG-CD2 3.77Å; K1291-Y1331 WeakPolarHBondContact CB-OH 3.47Å; K1291-E1552 WeakPolarHBondContact CD-OE1 3.46Å; K1291-E1552 IonicContact NZ-OE1 3.19Å; K1291-E1552 PolarHBondContact NZ-OE1 2.88Å |
| 1292 | D | 88.8 | Confident | 84 | Confident | 31 Ų | 31 | 43.2 Ų | 43.2 | 17% | 0.166 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 127.7 | 162.1 | -71.5 | -52.3 | 0 | 0 | 0 | 109.5 | S1118 R1211 T1273 R1554 | S1118-D1292 WeakPolarHBondContact CB-OD2 3.21Å; S1118-D1292 PolarHBondContact OG-OD1 3.1Å; S1118-D1292 PolarHBondContact OG-OD2 3.04Å; R1211-D1292 VanDerWaalsContact NH2-CG 3.27Å; R1211-D1292 IonicContact NH2-OD1 2.71Å; R1211-D1292 PolarHBondContact NH2-OD1 3.4Å; R1211-D1292 IonicContact NH2-OD2 3.69Å; R1211-D1292 PolarHBondContact NH2-OD2 2.64Å; T1273-D1292 PolarHBondContact OG1-OD1 2.85Å; D1292-R1554 IonicContact OD2-NH2 3.64Å |
| 1293 | L | 90.4 | Very high | 83.3 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 147.9 | 174.6 | -55.4 | -179.3 | 0 | 0 | 0 | 109.7 | F1147 F1175 Y1271 M1272 I1274 K1291 | F1147-L1293 HydrophobicContact CB-CD2 4.32Å; F1147-L1293 HydrophobicContact CG-CD2 4.4Å; F1175-L1293 HydrophobicContact CE2-CD2 4.27Å; Y1271-L1293 WeakPolarHBondContact CA-O 3.32Å; M1272-L1293 HydrophobicContact CE-CD1 4.29Å; M1272-L1293 HydrophobicContact CG-CB 4.22Å; M1272-L1293 PolarHBondContact N-O 2.96Å; M1272-L1293 PolarHBondContact O-N 3.43Å; I1274-L1293 HydrophobicContact CB-CD1 4.46Å; I1274-L1293 HydrophobicContact CG2-CD1 3.91Å; I1274-L1293 HydrophobicContact CG2-CG 3.95Å; K1291-L1293 HydrophobicContact CG-CD2 3.77Å |
| 1294 | T | 91.5 | Very high | 82.6 | Confident | 26 Ų | 26 | 47.7 Ų | 47.7 | 16% | 0.16 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134 | 177.2 | -50.3 | 0 | 0 | 0 | 0 | 110 | V1174 F1175 K1269 V1270 Y1271 | V1174-T1294 WeakPolarHBondContact CA-O 3.43Å; V1174-T1294 HydrophobicContact CG1-CG2 4.22Å; V1174-T1294 HydrophobicContact CG2-CG2 3.94Å; F1175-T1294 PolarHBondContact N-O 3.17Å; K1269-T1294 HydrophobicContact CB-CG2 4.12Å; K1269-T1294 HydrophobicContact CD-CG2 3.9Å; K1269-T1294 HydrophobicContact CG-CG2 4.41Å; V1270-T1294 CarbonylContact O-C 3.55Å; V1270-T1294 WeakPolarHBondContact O-CA 3.47Å; Y1271-T1294 HydrophobicContact CD1-CG2 4.17Å; Y1271-T1294 HydrophobicContact CE1-CG2 3.96Å |
| 1295 | V | 91.2 | Very high | 81.6 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 144.5 | -170.2 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | F1175 L1177 V1270 M1272 L1297 | F1175-V1295 HydrophobicContact CB-CG2 4.45Å; F1175-V1295 WeakPolarHBondContact O-CA 3.46Å; L1177-V1295 HydrophobicContact CD1-CG1 3.54Å; L1177-V1295 HydrophobicContact CD1-CG2 4.39Å; L1177-V1295 HydrophobicContact CG-CG1 4.07Å; V1270-V1295 HydrophobicContact CB-CB 4.48Å; V1270-V1295 PolarHBondContact N-O 2.84Å; V1270-V1295 PolarHBondContact O-N 3.08Å; M1272-V1295 HydrophobicContact CG-CG2 4.36Å; M1272-V1295 HydrophobicContact SD-CG2 3.81Å; V1295-L1297 HydrophobicContact CG1-CG 4.18Å |
| 1296 | V | 91.2 | Very high | 80 | Confident | 22 Ų | 22 | 49.9 Ų | 49.9 | 13% | 0.133 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 125.1 | 166.7 | 175.9 | 0 | 0 | 0 | 0 | 108.5 | V1174 F1175 L1176 L1177 T1264 K1269 Y1298 | V1174-V1296 HydrophobicContact CG1-CB 4.35Å; V1174-V1296 HydrophobicContact CG1-CG2 3.67Å; F1175-V1296 PolarHBondContact O-N 2.95Å; L1176-V1296 HydrophobicContact CD2-CB 4.22Å; L1177-V1296 PolarHBondContact N-O 2.83Å; T1264-V1296 HydrophobicContact CG2-CG1 4.35Å; K1269-V1296 HydrophobicContact CG-CG2 4.28Å; V1296-Y1298 HydrophobicContact CB-CE2 4.18Å; V1296-Y1298 HydrophobicContact CG1-CD2 4.09Å; V1296-Y1298 HydrophobicContact CG1-CE2 3.54Å |
| 1297 | L | 89.5 | Confident | 78 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 124.3 | -178.9 | -73.1 | 149 | 0 | 0 | 0 | 110.6 | L1177 L1260 V1263 T1264 V1295 | L1177-L1297 HydrophobicContact CB-CD2 3.91Å; L1177-L1297 CarbonylContact O-C 3.52Å; L1177-L1297 WeakPolarHBondContact O-CA 3.38Å; L1260-L1297 HydrophobicContact CD2-CD1 4Å; L1260-L1297 VanDerWaalsContact O-CD1 3.29Å; L1260-L1297 WeakPolarHBondContact O-CD1 3.43Å; V1263-L1297 WeakPolarHBondContact CA-O 3.4Å; V1263-L1297 WeakPolarHBondContact CG1-O 3.46Å; T1264-L1297 PolarHBondContact N-O 3.32Å; T1264-L1297 PolarHBondContact OG1-N 2.81Å; V1295-L1297 HydrophobicContact CG1-CG 4.18Å |
| 1298 | Y | 87.4 | Confident | 75.8 | Confident | 76 Ų | 76 | 52.5 Ų | 52.5 | 30% | 0.298 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 165.2 | 177.5 | -68.9 | -100.7 | 0 | 0 | 0 | 111.7 | L1176 L1177 Q1179 V1296 S1302 L1304 | L1176-Y1298 HydrophobicContact CB-CD2 4.37Å; L1176-Y1298 HydrophobicContact CB-CE2 3.91Å; L1176-Y1298 HydrophobicContact CD1-CE2 4.34Å; L1176-Y1298 HydrophobicContact CD2-CE2 4.03Å; L1176-Y1298 HydrophobicContact CG-CE2 4.29Å; L1177-Y1298 PolarHBondContact O-N 2.65Å; Q1179-Y1298 WeakPolarHBondContact CB-O 3.44Å; Q1179-Y1298 PolarHBondContact N-O 3.1Å; V1296-Y1298 HydrophobicContact CB-CE2 4.18Å; V1296-Y1298 HydrophobicContact CG1-CD2 4.09Å; V1296-Y1298 HydrophobicContact CG1-CE2 3.54Å; Y1298-S1302 VanDerWaalsContact CB-OG 3.26Å; Y1298-S1302 WeakPolarHBondContact CB-OG 3.1Å; Y1298-L1304 HydrophobicContact CD1-CD2 4.23Å; Y1298-L1304 HydrophobicContact CD2-CD2 3.63Å; Y1298-L1304 HydrophobicContact CE1-CD2 4.47Å; Y1298-L1304 HydrophobicContact CE2-CD2 3.91Å; Y1298-L1304 HydrophobicContact CG-CD2 3.81Å |
| 1299 | S | 83.7 | Confident | 73.3 | Confident | 50 Ų | 50 | 61.9 Ų | 61.9 | 35% | 0.35 | 33% | 0.325 | S | S | . | . | trans | -62.7 | 147.9 | 171.4 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | D1301 S1302 | S1299-D1301 VanDerWaalsContact C-N 3.26Å; S1299-D1301 PolarHBondContact O-N 2.85Å; S1299-S1302 WeakPolarHBondContact O-CB 3.48Å; S1299-S1302 PolarHBondContact O-N 3.47Å; S1299-S1302 PolarHBondContact O-OG 2.74Å | ||
| 1300 | R | 80.7 | Confident | 70.8 | Confident | 166 Ų | 166 | 65.2 Ų | 65.2 | 63% | 0.626 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -34.9 | -179 | -168.2 | 173.8 | -178 | 161.2 | 1.9 | 113.5 | S1302 | R1300-S1302 VanDerWaalsContact C-N 3.33Š|
| 1301 | D | 74.8 | Confident | 68.3 | Low | 145 Ų | 145 | 71.6 Ų | 71.6 | 78% | 0.775 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -5.2 | 179.7 | -51.4 | -62.2 | 0 | 0 | 0 | 113.6 | S1299 K1303 | S1299-D1301 VanDerWaalsContact C-N 3.26Å; S1299-D1301 PolarHBondContact O-N 2.85Å; D1301-K1303 PolarHBondContact O-N 2.77Å |
| 1302 | S | 67.8 | Low | 66.1 | Low | 36 Ų | 36 | 81.3 Ų | 81.3 | 25% | 0.252 | 42% | 0.417 | S | S | . | . | trans | -76.1 | 116.7 | -175 | 73.9 | 0 | 0 | 0 | 0 | 111.2 | Y1298 S1299 R1300 L1304 | Y1298-S1302 VanDerWaalsContact CB-OG 3.26Å; Y1298-S1302 WeakPolarHBondContact CB-OG 3.1Å; S1299-S1302 WeakPolarHBondContact O-CB 3.48Å; S1299-S1302 PolarHBondContact O-N 3.47Å; S1299-S1302 PolarHBondContact O-OG 2.74Å; R1300-S1302 VanDerWaalsContact C-N 3.33Å; S1302-L1304 PolarHBondContact O-N 3.45Å | ||
| 1303 | K | 64.2 | Low | 64 | Low | 180 Ų | 180 | 82 Ų | 82 | 78% | 0.783 | 42% | 0.424 | S | S | * | . | trans | -71.6 | 103.7 | 170.7 | -64.4 | -178.6 | -178.9 | 179.2 | 0 | 108.1 | D1301 S1305 A1306 | D1301-K1303 PolarHBondContact O-N 2.77Å; K1303-S1305 PolarHBondContact O-N 2.8Å; K1303-A1306 PolarHBondContact O-N 2.7Å | ||
| 1304 | L | 62.2 | Low | 61.5 | Low | 34 Ų | 34 | 88.3 Ų | 88.3 | 18% | 0.178 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -50.9 | -18.4 | 179 | -72.9 | 177.8 | 0 | 0 | 0 | 114.3 | L1176 H1178 Y1298 S1302 A1306 A1307 | L1176-L1304 HydrophobicContact CB-CD1 4.32Å; L1176-L1304 HydrophobicContact CB-CD2 4.15Å; H1178-L1304 WeakPolarHBondContact CE1-CD1 3.36Å; Y1298-L1304 HydrophobicContact CD1-CD2 4.23Å; Y1298-L1304 HydrophobicContact CD2-CD2 3.63Å; Y1298-L1304 HydrophobicContact CE1-CD2 4.47Å; Y1298-L1304 HydrophobicContact CE2-CD2 3.91Å; Y1298-L1304 HydrophobicContact CG-CD2 3.81Å; S1302-L1304 PolarHBondContact O-N 3.45Å; L1304-A1306 PolarHBondContact O-N 3.5Å; L1304-A1307 WeakPolarHBondContact O-CB 3.3Å; L1304-A1307 PolarHBondContact O-N 3.41Å |
| 1305 | S | 48.5 | Very low | 59.2 | Low | 94 Ų | 94 | 94.8 Ų | 94.8 | 66% | 0.657 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -47.5 | -20.2 | 164.5 | -164 | 0 | 0 | 0 | 0 | 114.6 | K1303 A1307 S1308 | K1303-S1305 PolarHBondContact O-N 2.8Å; S1305-A1307 VanDerWaalsContact C-N 3.34Å; S1305-A1307 PolarHBondContact O-N 2.8Å; S1305-S1308 WeakPolarHBondContact O-CB 3.48Å; S1305-S1308 PolarHBondContact O-N 3.33Å; S1305-S1308 PolarHBondContact O-OG 2.8Å |
| 1306 | A | 39.6 | Very low | 56.7 | Low | 70 Ų | 70 | 96.6 Ų | 96.6 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -68.1 | -24.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | K1303 L1304 S1308 | K1303-A1306 PolarHBondContact O-N 2.7Å; L1304-A1306 PolarHBondContact O-N 3.5Å; A1306-S1308 PolarHBondContact O-N 3.3Å |
| 1307 | A | 41.5 | Very low | 53.9 | Low | 58 Ų | 58 | 99.4 Ų | 99.4 | 48% | 0.479 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -71.1 | -15.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1176 L1304 S1305 R1309 | L1176-A1307 HydrophobicContact CD1-CB 4.42Å; L1304-A1307 WeakPolarHBondContact O-CB 3.3Å; L1304-A1307 PolarHBondContact O-N 3.41Å; S1305-A1307 VanDerWaalsContact C-N 3.34Å; S1305-A1307 PolarHBondContact O-N 2.8Å; A1307-R1309 PolarHBondContact O-N 2.68Å |
| 1308 | S | 39.6 | Very low | 51.2 | Low | 46 Ų | 46 | 103.7 Ų | 103.7 | 32% | 0.322 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -71.8 | 12.2 | -175 | -46 | 0 | 0 | 0 | 0 | 115.5 | S1305 A1306 S1310 | S1305-S1308 WeakPolarHBondContact O-CB 3.48Å; S1305-S1308 PolarHBondContact O-N 3.33Å; S1305-S1308 PolarHBondContact O-OG 2.8Å; A1306-S1308 PolarHBondContact O-N 3.3Å; S1308-S1310 PolarHBondContact O-N 2.75Å |
| 1309 | R | 36.5 | Very low | 48.8 | Very low | 234 Ų | 234 | 106.5 Ų | 106.5 | 88% | 0.883 | 58% | 0.583 | S | S | * | * | trans | -71.1 | 22.4 | -173.6 | -70.3 | -171.5 | -178.3 | -141 | 2 | 115.5 | A1307 | A1307-R1309 PolarHBondContact O-N 2.68Š| ||
| 1310 | S | 38.6 | Very low | 46.9 | Very low | 70 Ų | 70 | 111.5 Ų | 111.5 | 49% | 0.49 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -90.3 | 118.8 | 160.6 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | S1308 R1312 S1313 | S1308-S1310 PolarHBondContact O-N 2.75Å; S1310-R1312 PolarHBondContact O-N 3.07Å; S1310-S1313 PolarHBondContact O-N 3.24Å |
| 1311 | L | 36.3 | Very low | 45.5 | Very low | 151 Ų | 151 | 105.9 Ų | 105.9 | 79% | 0.791 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -52.7 | -19.8 | 178.4 | -78.8 | 164.1 | 0 | 0 | 0 | 114 | S1313 | L1311-S1313 VanDerWaalsContact C-N 3.3Å; L1311-S1313 PolarHBondContact O-N 3.29Å |
| 1312 | R | 44.9 | Very low | 44.8 | Very low | 214 Ų | 214 | 102.6 Ų | 102.6 | 81% | 0.808 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -71.8 | -18.4 | 176.7 | -61.2 | -179.2 | -179 | 170.3 | 0.6 | 113.9 | S1310 | S1310-R1312 PolarHBondContact O-N 3.07Š|
| 1313 | S | 43.8 | Very low | 44.9 | Very low | 45 Ų | 45 | 104.9 Ų | 104.9 | 32% | 0.315 | 58% | 0.584 | S | S | . | * | G | 310 helix | trans | -81.2 | -24.4 | -176.7 | -163.7 | 0 | 0 | 0 | 0 | 114.2 | S1310 L1311 F1319 | S1310-S1313 PolarHBondContact O-N 3.24Å; L1311-S1313 VanDerWaalsContact C-N 3.3Å; L1311-S1313 PolarHBondContact O-N 3.29Å; S1313-F1319 WeakPolarHBondContact O-CZ 3.43Å |
| 1314 | L | 37.8 | Very low | 45.5 | Very low | 135 Ų | 135 | 99.5 Ų | 99.5 | 71% | 0.707 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -8.3 | -172.4 | -76 | 165.7 | 0 | 0 | 0 | 114.3 | ||
| 1315 | L | 42.6 | Very low | 46.7 | Very low | 162 Ų | 162 | 99.1 Ų | 99.1 | 85% | 0.848 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 11.4 | -175.2 | -63.6 | 172.5 | 0 | 0 | 0 | 113.7 | ||
| 1316 | A | 40.1 | Very low | 48.7 | Very low | 38 Ų | 38 | 96.8 Ų | 96.8 | 31% | 0.314 | 54% | 0.535 | S | S | . | . | trans | -129.3 | 80.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1318 | A1316-S1318 VanDerWaalsContact C-N 3.33Å; A1316-S1318 PolarHBondContact O-N 3.21Å | ||
| 1317 | G | 31.5 | Very low | 51.1 | Low | 82 Ų | 82 | 93.6 Ų | 93.6 | 85% | 0.845 | 51% | 0.509 | S | S | * | . | trans | -70.7 | 72.1 | -174 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1318 | S | 33.7 | Very low | 53.4 | Low | 92 Ų | 92 | 91 Ų | 91 | 64% | 0.643 | 49% | 0.487 | S | S | * | . | trans | -152.9 | 83.5 | 163.2 | -167.1 | 0 | 0 | 0 | 0 | 109.9 | A1316 | A1316-S1318 VanDerWaalsContact C-N 3.33Å; A1316-S1318 PolarHBondContact O-N 3.21Å | ||
| 1319 | F | 37.4 | Very low | 55.8 | Low | 135 Ų | 135 | 88.8 Ų | 88.8 | 59% | 0.592 | 47% | 0.472 | S | S | * | . | trans | -92 | -11.8 | -167.2 | -81.1 | -88.6 | 0 | 0 | 0 | 115.1 | S1313 | S1313-F1319 WeakPolarHBondContact O-CZ 3.43Š| ||
| 1320 | N | 42.3 | Very low | 58.4 | Low | 155 Ų | 155 | 77.8 Ų | 77.8 | 83% | 0.829 | 43% | 0.43 | S | S | * | . | trans | -112.5 | 50.6 | -169.5 | -66.3 | 0.5 | 0 | 0 | 0 | 113.1 | P1322 | N1320-P1322 WeakPolarHBondContact O-CD 3.41Š| ||
| 1321 | C | 52.6 | Low | 60.9 | Low | 48 Ų | 48 | 74.6 Ų | 74.6 | 32% | 0.324 | 41% | 0.407 | S | S | . | . | trans | -109.2 | 91.1 | 176.9 | -171 | 0 | 0 | 0 | 0 | 111 | E1323 R1324 | C1321-E1323 PolarHBondContact O-N 3.48Å; C1321-E1323 VanDerWaalsContact O-N 3.16Å; C1321-R1324 PolarHBondContact O-N 3.48Å | ||
| 1322 | P | 60 | Low | 63.4 | Low | 76 Ų | 76 | 68.5 Ų | 68.5 | 49% | 0.494 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -64.4 | -20 | -175 | 25.5 | -34.6 | 0 | 0 | 0 | 113.6 | N1320 R1324 N1325 | N1320-P1322 WeakPolarHBondContact O-CD 3.41Å; P1322-R1324 PolarHBondContact O-N 3.44Å; P1322-R1324 VanDerWaalsContact O-N 3.1Å; P1322-N1325 PolarHBondContact O-N 3.06Å; P1322-N1325 VanDerWaalsContact O-N 3.16Å |
| 1323 | E | 69.5 | Low | 65.5 | Low | 83 Ų | 83 | 58.3 Ų | 58.3 | 39% | 0.388 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -57.5 | -25.9 | 177.6 | -57.7 | -163 | 142.2 | 0 | 0 | 114.3 | C1321 N1325 R1599 | C1321-E1323 PolarHBondContact O-N 3.48Å; C1321-E1323 VanDerWaalsContact O-N 3.16Å; E1323-N1325 VanDerWaalsContact C-N 3.26Å; E1323-N1325 PolarHBondContact O-N 2.89Å; E1323-R1599 VanDerWaalsContact CD-NH1 3.34Å; E1323-R1599 IonicContact OE1-NH1 2.94Å; E1323-R1599 IonicContact OE2-CZ 2.74Å; E1323-R1599 VanDerWaalsContact OE2-CZ 3.22Å; E1323-R1599 IonicContact OE2-NH1 2.65Å; E1323-R1599 PolarHBondContact OE2-NH1 2.96Å; E1323-R1599 IonicContact OE2-NH2 3.07Å; E1323-R1599 PolarHBondContact OE2-NH2 3.2Å |
| 1324 | R | 76.7 | Confident | 67.5 | Low | 68 Ų | 68 | 57 Ų | 57 | 26% | 0.257 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -76.6 | -11.3 | -177.3 | -64.3 | -172.1 | 168.1 | 171 | -5 | 113.6 | H1165 C1321 P1322 K1326 D1592 R1594 P1596 | H1165-R1324 PolarHBondContact NE2-O 3.5Å; C1321-R1324 PolarHBondContact O-N 3.48Å; P1322-R1324 PolarHBondContact O-N 3.44Å; P1322-R1324 VanDerWaalsContact O-N 3.1Å; R1324-K1326 VanDerWaalsContact C-N 3.3Å; R1324-K1326 PolarHBondContact O-N 3.09Å; R1324-D1592 IonicContact NH2-OD1 3.86Å; R1324-D1592 IonicContact NH2-OD2 2.66Å; R1324-D1592 PolarHBondContact NH2-OD2 2.83Å; R1324-R1594 VanDerWaalsContact CZ-O 3.3Å; R1324-R1594 PolarHBondContact NH2-O 3.31Å; R1324-P1596 HydrophobicContact CB-CG 4.22Å |
| 1325 | N | 86.8 | Confident | 69.8 | Low | 26 Ų | 26 | 50.6 Ų | 50.6 | 14% | 0.139 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -91.4 | 42 | -173.3 | -74.3 | -6.1 | 0 | 0 | 0 | 113.2 | S1160 A1161 V1163 P1322 E1323 | S1160-N1325 PolarHBondContact O-ND2 3.4Å; A1161-N1325 VanDerWaalsContact O-CB 3.28Å; A1161-N1325 WeakPolarHBondContact O-CB 3.49Å; A1161-N1325 PolarHBondContact O-ND2 2.83Å; V1163-N1325 HydrophobicContact CG2-CB 4.4Å; P1322-N1325 PolarHBondContact O-N 3.06Å; P1322-N1325 VanDerWaalsContact O-N 3.16Å; E1323-N1325 VanDerWaalsContact C-N 3.26Å; E1323-N1325 PolarHBondContact O-N 2.89Å |
| 1326 | K | 90.1 | Very high | 71.6 | Confident | 44 Ų | 44 | 44 Ų | 44 | 19% | 0.191 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.8 | -177 | -45.4 | -172.6 | -168.3 | -129.9 | 0 | 111.5 | H1146 F1147 E1148 H1165 R1324 V1597 | H1146-K1326 HydrophobicContact CB-CD 4.36Å; F1147-K1326 CarbonylContact O-C 3.53Å; F1147-K1326 WeakPolarHBondContact O-CA 3.42Å; E1148-K1326 HydrophobicContact CB-CG 4.15Å; E1148-K1326 HydrophobicContact CG-CG 4.23Å; E1148-K1326 WeakPolarHBondContact OE2-CD 3.1Å; E1148-K1326 WeakPolarHBondContact OE2-CE 3.31Å; E1148-K1326 IonicContact OE2-NZ 2.96Å; E1148-K1326 PolarHBondContact OE2-NZ 3.42Å; H1165-K1326 PolarHBondContact CE1-O 2.84Å; H1165-K1326 VanDerWaalsContact CE1-O 3.24Å; R1324-K1326 VanDerWaalsContact C-N 3.3Å; R1324-K1326 PolarHBondContact O-N 3.09Å; K1326-V1597 HydrophobicContact CB-CG1 4.22Å; K1326-V1597 HydrophobicContact CB-CG2 4.41Å; K1326-V1597 WeakPolarHBondContact O-CG2 3.33Å |
| 1327 | V | 90.4 | Very high | 73.1 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 133.2 | 173.3 | 176.4 | 0 | 0 | 0 | 0 | 109.7 | F1147 V1163 T1171 F1175 | F1147-V1327 PolarHBondContact N-O 2.85Å; F1147-V1327 PolarHBondContact O-N 3.31Å; V1163-V1327 HydrophobicContact CG1-CG2 3.76Å; T1171-V1327 WeakPolarHBondContact O-CG1 3.43Å; F1175-V1327 HydrophobicContact CD2-CG2 4.46Å; F1175-V1327 HydrophobicContact CE2-CB 4.28Å; F1175-V1327 HydrophobicContact CE2-CG2 3.58Å; F1175-V1327 HydrophobicContact CZ-CB 4.16Å; F1175-V1327 HydrophobicContact CZ-CG2 3.61Å |
| 1328 | S | 90.7 | Very high | 74.5 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 136.8 | 178 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | V1145 T1171 I1598 | V1145-S1328 CarbonylContact O-C 3.21Å; V1145-S1328 WeakPolarHBondContact O-CA 3.43Å; T1171-S1328 CarbonylContact C-O 3.5Å; T1171-S1328 WeakPolarHBondContact CA-O 3.27Å; T1171-S1328 WeakPolarHBondContact CB-O 3.41Å; S1328-I1598 PolarHBondContact OG-N 3.36Å |
| 1329 | G | 89.5 | Confident | 75.5 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 151.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1145 | V1145-G1329 PolarHBondContact N-O 2.97Å; V1145-G1329 PolarHBondContact O-N 2.93Å |
| 1330 | L | 90.6 | Very high | 76 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 133 | 179 | -179.4 | 62.5 | 0 | 0 | 0 | 108.6 | K1553 V1555 Y1586 V1601 | L1330-K1553 HydrophobicContact CB-CB 4.49Å; L1330-K1553 HydrophobicContact CD2-CB 4.28Å; L1330-K1553 HydrophobicContact CG-CB 4.11Å; L1330-K1553 PolarHBondContact O-N 3.36Å; L1330-V1555 HydrophobicContact CD2-CG2 3.66Å; L1330-Y1586 HydrophobicContact CD2-CD1 3.97Å; L1330-Y1586 HydrophobicContact CD2-CD2 3.71Å; L1330-Y1586 HydrophobicContact CD2-CE1 3.85Å; L1330-Y1586 HydrophobicContact CD2-CE2 3.58Å; L1330-Y1586 HydrophobicContact CD2-CG 3.89Å; L1330-V1601 HydrophobicContact CD1-CB 4.45Å; L1330-V1601 HydrophobicContact CD1-CG1 4.13Å; L1330-V1601 HydrophobicContact CD1-CG2 4.19Å; L1330-V1601 HydrophobicContact CD2-CG1 4.43Å |
| 1331 | Y | 91 | Very high | 75.9 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 153.1 | -173.9 | -57.2 | -96.8 | 0 | 0 | 0 | 111.7 | L1143 V1145 F1147 I1289 S1290 K1291 V1550 L1551 E1552 | L1143-Y1331 PolarHBondContact N-O 3.05Å; L1143-Y1331 PolarHBondContact O-N 2.93Å; V1145-Y1331 HydrophobicContact CB-CD2 4.28Å; V1145-Y1331 HydrophobicContact CB-CE2 3.97Å; V1145-Y1331 HydrophobicContact CG2-CD2 3.69Å; V1145-Y1331 HydrophobicContact CG2-CE2 3.82Å; F1147-Y1331 HydrophobicContact CE2-CE2 4.35Å; F1147-Y1331 HydrophobicContact CZ-CE2 4.43Å; I1289-Y1331 HydrophobicContact CG2-CD1 4.39Å; I1289-Y1331 HydrophobicContact CG2-CD2 4.44Å; I1289-Y1331 HydrophobicContact CG2-CE1 3.89Å; I1289-Y1331 HydrophobicContact CG2-CE2 3.94Å; S1290-Y1331 VanDerWaalsContact O-CE1 3.31Å; S1290-Y1331 WeakPolarHBondContact O-CE1 3.43Å; S1290-Y1331 PolarHBondContact O-OH 3.48Å; K1291-Y1331 WeakPolarHBondContact CB-OH 3.47Å; Y1331-V1550 HydrophobicContact CD1-CG1 3.89Å; Y1331-V1550 HydrophobicContact CG-CG1 4.23Å; Y1331-L1551 CarbonylContact C-O 3.22Å; Y1331-L1551 VanDerWaalsContact CA-O 3.25Å; Y1331-L1551 WeakPolarHBondContact CA-O 3.48Å; Y1331-E1552 HydrophobicContact CD1-CB 3.97Å; Y1331-E1552 HydrophobicContact CD1-CG 4.4Å; Y1331-E1552 HydrophobicContact CE1-CB 3.72Å; Y1331-E1552 HydrophobicContact CE1-CG 3.96Å |
| 1332 | E | 88.8 | Confident | 75.1 | Confident | 24 Ų | 24 | 38.7 Ų | 38.7 | 11% | 0.112 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.6 | 164.6 | -178.9 | -177.5 | -155.7 | 0 | 0 | 108.3 | K1140 L1334 V1550 L1551 K1553 | K1140-E1332 WeakPolarHBondContact CD-OE1 3.36Å; K1140-E1332 WeakPolarHBondContact CE-OE1 3.41Å; K1140-E1332 IonicContact NZ-OE1 2.69Å; K1140-E1332 PolarHBondContact NZ-OE1 3.1Å; E1332-L1334 HydrophobicContact CG-CD2 3.83Å; E1332-L1334 HydrophobicContact CG-CG 4.47Å; E1332-V1550 WeakPolarHBondContact O-CA 3.38Å; E1332-L1551 PolarHBondContact N-O 2.81Å; E1332-L1551 PolarHBondContact O-N 3.46Å; E1332-K1553 HydrophobicContact CB-CD 4.47Å; E1332-K1553 HydrophobicContact CB-CG 4.4Å; E1332-K1553 WeakPolarHBondContact OE2-CE 3.4Å; E1332-K1553 IonicContact OE2-NZ 3.63Å; E1332-K1553 PolarHBondContact OE2-NZ 2.85Å |
| 1333 | L | 89.1 | Confident | 74 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 127 | 170 | 167.7 | 65.7 | 0 | 0 | 0 | 109.3 | K1140 H1141 L1143 L1197 W1199 I1280 L1335 A1548 E1549 V1550 | K1140-L1333 WeakPolarHBondContact CA-O 3.46Å; H1141-L1333 HydrophobicContact CB-CB 4.46Å; H1141-L1333 PolarHBondContact N-O 2.96Å; H1141-L1333 PolarHBondContact O-N 2.9Å; L1143-L1333 HydrophobicContact CD1-CB 3.9Å; L1143-L1333 HydrophobicContact CD1-CD2 4.39Å; L1143-L1333 HydrophobicContact CG-CB 4.16Å; L1197-L1333 HydrophobicContact CD1-CD2 3.6Å; L1197-L1333 HydrophobicContact CD2-CD2 3.79Å; L1197-L1333 HydrophobicContact CG-CD2 4.32Å; W1199-L1333 HydrophobicContact CH2-CD2 4.23Å; W1199-L1333 HydrophobicContact CZ2-CD2 4.46Å; I1280-L1333 HydrophobicContact CD1-CD1 4.27Å; I1280-L1333 HydrophobicContact CD1-CD2 3.98Å; L1333-L1335 HydrophobicContact CD1-CD2 4Å; L1333-L1335 HydrophobicContact CD2-CD2 4.45Å; L1333-L1335 HydrophobicContact CG-CD2 4.29Å; L1333-A1548 HydrophobicContact CD1-CB 4Å; L1333-E1549 WeakPolarHBondContact CA-O 3.35Å; L1333-V1550 HydrophobicContact CB-CG2 4.41Å; L1333-V1550 HydrophobicContact CD1-CG2 3.65Å |
| 1334 | L | 87.2 | Confident | 72.3 | Confident | 17 Ų | 17 | 37.2 Ų | 37.2 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126 | 175.1 | -52 | 177.3 | 0 | 0 | 0 | 108.6 | V1137 K1140 E1332 E1549 L1551 | V1137-L1334 HydrophobicContact CG1-CB 4.35Å; V1137-L1334 HydrophobicContact CG1-CD2 4.32Å; K1140-L1334 HydrophobicContact CD-CD2 4.03Å; K1140-L1334 HydrophobicContact CG-CD2 3.75Å; E1332-L1334 HydrophobicContact CG-CD2 3.83Å; E1332-L1334 HydrophobicContact CG-CG 4.47Å; L1334-E1549 HydrophobicContact CB-CB 4.35Å; L1334-E1549 PolarHBondContact N-O 3.32Å; L1334-E1549 PolarHBondContact O-N 3.3Å; L1334-L1551 HydrophobicContact CD1-CD1 4.24Å |
| 1335 | L | 84.4 | Confident | 70.2 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 115.8 | 169 | -61.3 | -175.6 | 0 | 0 | 0 | 108.6 | V1137 R1138 C1139 D1196 L1333 A1548 | V1137-L1335 CarbonylContact C-O 3.6Å; R1138-L1335 PolarHBondContact N-O 3.49Å; C1139-L1335 PolarHBondContact O-N 2.72Å; D1196-L1335 WeakPolarHBondContact O-CD1 3.31Å; L1333-L1335 HydrophobicContact CD1-CD2 4Å; L1333-L1335 HydrophobicContact CD2-CD2 4.45Å; L1333-L1335 HydrophobicContact CG-CD2 4.29Å; L1335-A1548 HydrophobicContact CD2-CB 3.86Å |
| 1336 | K | 81 | Confident | 67.8 | Low | 22 Ų | 22 | 51.1 Ų | 51.1 | 10% | 0.096 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 147.9 | 179.4 | -70.9 | 172.6 | 169.4 | 174.7 | 0 | 110.8 | S1133 N1135 P1136 V1137 Y1546 I1547 E1549 | S1133-K1336 PolarHBondContact O-NZ 2.96Å; N1135-K1336 HydrophobicContact CB-CB 4.06Å; N1135-K1336 HydrophobicContact CB-CD 4.43Å; P1136-K1336 CarbonylContact O-C 3.41Å; P1136-K1336 VanDerWaalsContact O-CA 3.26Å; P1136-K1336 WeakPolarHBondContact O-CA 3.28Å; V1137-K1336 HydrophobicContact CG2-CG 3.9Å; K1336-Y1546 CarbonylContact O-C 3.56Å; K1336-Y1546 WeakPolarHBondContact O-CA 3.16Å; K1336-I1547 HydrophobicContact CB-CB 4.39Å; K1336-I1547 PolarHBondContact N-O 3.15Å; K1336-I1547 PolarHBondContact O-N 2.89Å; K1336-E1549 WeakPolarHBondContact CE-OE2 3.45Å; K1336-E1549 IonicContact NZ-OE2 3.78Å; K1336-E1549 PolarHBondContact NZ-OE2 2.75Å |
| 1337 | E | 72.4 | Confident | 65.3 | Low | 82 Ų | 82 | 59.2 Ų | 59.2 | 38% | 0.383 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 143.3 | 175 | -63.1 | 177.5 | 168.6 | 0 | 0 | 112.2 | N1135 P1136 R1138 Y1546 | N1135-E1337 VanDerWaalsContact CB-O 3.3Å; N1135-E1337 WeakPolarHBondContact CB-O 3.07Å; N1135-E1337 PolarHBondContact ND2-O 2.82Å; P1136-E1337 HydrophobicContact CG-CB 4.08Å; P1136-E1337 HydrophobicContact CG-CG 4.18Å; P1136-E1337 VanDerWaalsContact CG-OE2 3.28Å; P1136-E1337 WeakPolarHBondContact CG-OE2 3.34Å; P1136-E1337 PolarHBondContact O-N 3.22Å; R1138-E1337 HydrophobicContact CB-CG 4.3Å; E1337-Y1546 HydrophobicContact CG-CE1 4.31Å |
| 1338 | A | 59.4 | Low | 62.9 | Low | 45 Ų | 45 | 68.5 Ų | 68.5 | 37% | 0.372 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 124.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | C1545 I1547 | A1338-C1545 WeakPolarHBondContact CB-O 3.28Å; A1338-C1545 PolarHBondContact N-O 3.47Å; A1338-I1547 HydrophobicContact CB-CD1 4.44Å; A1338-I1547 HydrophobicContact CB-CG1 4.42Å |
| 1339 | V | 55.3 | Low | 60.5 | Low | 68 Ų | 68 | 77.2 Ų | 77.2 | 41% | 0.412 | 36% | 0.363 | S | S | . | . | trans | -105.8 | 129 | -177.4 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | T1341 | V1339-T1341 PolarHBondContact O-N 3.16Š| ||
| 1340 | D | 47.3 | Very low | 58.3 | Low | 101 Ų | 101 | 81.2 Ų | 81.2 | 54% | 0.54 | 39% | 0.387 | S | S | . | . | trans | -56.7 | 131.7 | -172.4 | -172.5 | 8.2 | 0 | 0 | 0 | 113.5 | G1342 S1343 | D1340-G1342 PolarHBondContact O-N 2.6Å; D1340-G1342 VanDerWaalsContact O-N 3.14Å; D1340-S1343 WeakPolarHBondContact O-CB 3.38Å; D1340-S1343 PolarHBondContact O-N 2.76Å | ||
| 1341 | T | 41.1 | Very low | 55.8 | Low | 100 Ų | 100 | 82.7 Ų | 82.7 | 61% | 0.613 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.6 | -25.6 | -170 | 61 | 0 | 0 | 0 | 0 | 113.8 | V1339 S1343 L1344 R1345 | V1339-T1341 PolarHBondContact O-N 3.16Å; T1341-S1343 PolarHBondContact O-N 2.6Å; T1341-L1344 PolarHBondContact O-N 2.95Å; T1341-R1345 PolarHBondContact O-N 2.57Å |
| 1342 | G | 36.6 | Very low | 53.3 | Low | 43 Ų | 43 | 86.9 Ų | 86.9 | 44% | 0.443 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.3 | -32.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1340 | D1340-G1342 PolarHBondContact O-N 2.6Å; D1340-G1342 VanDerWaalsContact O-N 3.14Å |
| 1343 | S | 36.3 | Very low | 50.8 | Low | 73 Ų | 73 | 88 Ų | 88 | 51% | 0.51 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -76 | -33.9 | 177.3 | -65 | 0 | 0 | 0 | 0 | 112.6 | D1340 T1341 R1345 R1346 | D1340-S1343 WeakPolarHBondContact O-CB 3.38Å; D1340-S1343 PolarHBondContact O-N 2.76Å; T1341-S1343 PolarHBondContact O-N 2.6Å; S1343-R1345 VanDerWaalsContact C-N 3.34Å; S1343-R1345 PolarHBondContact O-N 3.14Å; S1343-R1346 PolarHBondContact O-N 3.02Å |
| 1344 | L | 33.7 | Very low | 48.5 | Very low | 56 Ų | 56 | 91.3 Ų | 91.3 | 29% | 0.293 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.7 | -33.6 | 174.9 | -79.7 | 93.1 | 0 | 0 | 0 | 112.3 | T1341 R1346 R1347 R1348 | T1341-L1344 PolarHBondContact O-N 2.95Å; L1344-R1346 PolarHBondContact O-N 3.22Å; L1344-R1346 VanDerWaalsContact O-N 3.13Å; L1344-R1347 PolarHBondContact O-N 2.67Å; L1344-R1348 WeakPolarHBondContact O-CG 3.18Å; L1344-R1348 PolarHBondContact O-N 2.7Å |
| 1345 | R | 32.7 | Very low | 46.2 | Very low | 209 Ų | 209 | 94.9 Ų | 94.9 | 79% | 0.789 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -58.6 | -23.4 | 175.5 | -91.1 | -174.8 | 169.7 | 174.3 | -1.6 | 113.8 | T1341 S1343 | T1341-R1345 PolarHBondContact O-N 2.57Å; S1343-R1345 VanDerWaalsContact C-N 3.34Å; S1343-R1345 PolarHBondContact O-N 3.14Å |
| 1346 | R | 36.6 | Very low | 44.3 | Very low | 176 Ų | 176 | 98.5 Ų | 98.5 | 66% | 0.664 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -86.5 | -18.2 | 172.9 | -83.4 | -178.9 | 168.7 | 175.1 | -7.4 | 114.5 | S1343 L1344 | S1343-R1346 PolarHBondContact O-N 3.02Å; L1344-R1346 PolarHBondContact O-N 3.22Å; L1344-R1346 VanDerWaalsContact O-N 3.13Å |
| 1347 | R | 38 | Very low | 42.1 | Very low | 215 Ų | 215 | 104.3 Ų | 104.3 | 81% | 0.811 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -92.4 | -23.9 | 175.5 | -68.1 | -173.6 | 176.6 | -179.9 | 0.2 | 113.3 | L1344 R1349 | L1344-R1347 PolarHBondContact O-N 2.67Å; R1347-R1349 VanDerWaalsContact C-N 3.34Å; R1347-R1349 PolarHBondContact O-N 3.25Å; R1347-R1349 VanDerWaalsContact O-N 3.13Å |
| 1348 | R | 38.4 | Very low | 40.7 | Very low | 198 Ų | 198 | 105 Ų | 105 | 75% | 0.747 | 53% | 0.529 | S | S | * | . | trans | -85 | 53.3 | -178.6 | -69 | 178.9 | 170.3 | 174.2 | -3.5 | 114.3 | L1344 | L1344-R1348 WeakPolarHBondContact O-CG 3.18Å; L1344-R1348 PolarHBondContact O-N 2.7Å | ||
| 1349 | R | 41 | Very low | 39.5 | Very low | 185 Ų | 185 | 114.4 Ų | 114.4 | 70% | 0.698 | 56% | 0.555 | S | S | * | * | trans | -124 | 40.3 | 172.7 | -75.3 | -169.8 | 174.4 | -172.9 | -2.8 | 112.6 | R1347 | R1347-R1349 VanDerWaalsContact C-N 3.34Å; R1347-R1349 PolarHBondContact O-N 3.25Å; R1347-R1349 VanDerWaalsContact O-N 3.13Å | ||
| 1350 | V | 43.2 | Very low | 38.8 | Very low | 85 Ų | 85 | 112.9 Ų | 112.9 | 52% | 0.515 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -117.2 | 156.1 | 176 | -172.8 | 0 | 0 | 0 | 0 | 107.9 | I1375 | V1350-I1375 HydrophobicContact CG1-CD1 3.94Š|
| 1351 | L | 38.7 | Very low | 38.8 | Very low | 34 Ų | 34 | 109.4 Ų | 109.4 | 18% | 0.178 | 53% | 0.533 | C | S | . | . | trans | -76.6 | 127.2 | -157.1 | -61.5 | 73.2 | 0 | 0 | 0 | 114.6 | R725 W729 T1353 | R725-L1351 HydrophobicContact CG-CD1 3.51Å; W729-L1351 HydrophobicContact CD2-CD2 3.91Å; W729-L1351 VanDerWaalsContact CE2-CD2 3.41Å; W729-L1351 HydrophobicContact CG-CD2 4.24Å; W729-L1351 HydrophobicContact CH2-CD2 4.45Å; W729-L1351 HydrophobicContact CZ2-CD2 3.73Å; W729-L1351 HydrophobicContact CZ2-CG 3.74Å; L1351-T1353 HydrophobicContact CB-CG2 3.98Å; L1351-T1353 HydrophobicContact CD2-CG2 3.67Å; L1351-T1353 HydrophobicContact CG-CG2 4.49Å | ||
| 1352 | D | 38.1 | Very low | 38.9 | Very low | 91 Ų | 91 | 111.2 Ų | 111.2 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | trans | -90.4 | 112.5 | 143.7 | 174 | 19.5 | 0 | 0 | 0 | 108.8 | S1354 | D1352-S1354 VanDerWaalsContact CG-OG 3.27Å; D1352-S1354 WeakPolarHBondContact OD1-CB 3.22Å; D1352-S1354 PolarHBondContact OD1-N 2.94Å; D1352-S1354 PolarHBondContact OD1-OG 2.78Å; D1352-S1354 PolarHBondContact OD2-OG 3.3Å | ||
| 1353 | T | 36.4 | Very low | 39.2 | Very low | 48 Ų | 48 | 115 Ų | 115 | 29% | 0.294 | 54% | 0.544 | S | S | . | . | trans | -95 | 0.2 | 176.4 | 50.5 | 0 | 0 | 0 | 0 | 113.5 | L1351 S1355 T1356 | L1351-T1353 HydrophobicContact CB-CG2 3.98Å; L1351-T1353 HydrophobicContact CD2-CG2 3.67Å; L1351-T1353 HydrophobicContact CG-CG2 4.49Å; T1353-S1355 PolarHBondContact O-N 3.1Å; T1353-T1356 PolarHBondContact O-OG1 3.03Å | ||
| 1354 | S | 40.7 | Very low | 39.8 | Very low | 69 Ų | 69 | 113.8 Ų | 113.8 | 48% | 0.483 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -20.7 | -179.8 | 71.5 | 0 | 0 | 0 | 0 | 113.4 | D1352 Y1357 | D1352-S1354 VanDerWaalsContact CG-OG 3.27Å; D1352-S1354 WeakPolarHBondContact OD1-CB 3.22Å; D1352-S1354 PolarHBondContact OD1-N 2.94Å; D1352-S1354 PolarHBondContact OD1-OG 2.78Å; D1352-S1354 PolarHBondContact OD2-OG 3.3Å; S1354-Y1357 WeakPolarHBondContact O-CD2 3.2Å |
| 1355 | S | 39.3 | Very low | 40.2 | Very low | 92 Ų | 92 | 112.8 Ų | 112.8 | 64% | 0.643 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -12.7 | -176.1 | 55.3 | 0 | 0 | 0 | 0 | 114.9 | T1353 | T1353-S1355 PolarHBondContact O-N 3.1Š|
| 1356 | T | 43.8 | Very low | 40.7 | Very low | 76 Ų | 76 | 108.8 Ų | 108.8 | 47% | 0.466 | 53% | 0.53 | S | S | . | . | trans | -102.7 | 41.8 | 179.8 | 39.2 | 0 | 0 | 0 | 0 | 112.8 | T1353 V1358 | T1353-T1356 PolarHBondContact O-OG1 3.03Å; T1356-V1358 PolarHBondContact O-N 3.12Å | ||
| 1357 | Y | 35.8 | Very low | 40.8 | Very low | 145 Ų | 145 | 103.6 Ų | 103.6 | 57% | 0.569 | 51% | 0.51 | S | S | * | . | trans | -60.7 | 130.5 | 171.9 | -113.1 | -95.5 | 0 | 0 | 0 | 111.3 | S1354 E1361 | S1354-Y1357 WeakPolarHBondContact O-CD2 3.2Å; Y1357-E1361 HydrophobicContact CE1-CB 4.03Å; Y1357-E1361 VanDerWaalsContact CE1-OE2 3.25Å; Y1357-E1361 WeakPolarHBondContact CE1-OE2 3.33Å | ||
| 1358 | V | 41.7 | Very low | 40.9 | Very low | 95 Ų | 95 | 103.6 Ų | 103.6 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | trans | -112.5 | 141.2 | 172.2 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | T1356 G1360 | T1356-V1358 PolarHBondContact O-N 3.12Å; V1358-G1360 PolarHBondContact O-N 3.35Å | ||
| 1359 | R | 35.7 | Very low | 41 | Very low | 244 Ų | 244 | 96.3 Ų | 96.3 | 92% | 0.921 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 123.1 | -178.4 | -154.4 | 177.1 | -165.4 | 167.8 | 2.6 | 109.9 | ||
| 1360 | G | 40.6 | Very low | 41.1 | Very low | 35 Ų | 35 | 93.5 Ų | 93.5 | 36% | 0.361 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 128.8 | -14.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | V1358 E1362 N1363 | V1358-G1360 PolarHBondContact O-N 3.35Å; G1360-E1362 WeakPolarHBondContact CA-OE2 3.24Å; G1360-E1362 PolarHBondContact N-OE2 3.2Å; G1360-E1362 PolarHBondContact O-N 2.83Å; G1360-E1362 VanDerWaalsContact O-N 3.14Å; G1360-N1363 PolarHBondContact O-N 2.96Å |
| 1361 | E | 46.2 | Very low | 40.8 | Very low | 28 Ų | 28 | 91 Ų | 91 | 13% | 0.131 | 47% | 0.47 | C | S | . | . | G | 310 helix | trans | -66.4 | -11.6 | 179.7 | -69.5 | -175.2 | -166.8 | 0 | 0 | 114 | K736 Y1357 N1363 L1364 W1367 | K736-E1361 IonicContact NZ-OE1 3.13Å; K736-E1361 PolarHBondContact NZ-OE1 3.36Å; Y1357-E1361 HydrophobicContact CE1-CB 4.03Å; Y1357-E1361 VanDerWaalsContact CE1-OE2 3.25Å; Y1357-E1361 WeakPolarHBondContact CE1-OE2 3.33Å; E1361-N1363 PolarHBondContact O-N 2.91Å; E1361-N1363 VanDerWaalsContact O-N 3.16Å; E1361-L1364 HydrophobicContact CG-CD1 4.47Å; E1361-L1364 PolarHBondContact O-N 2.59Å; E1361-L1364 VanDerWaalsContact O-N 3.1Å; E1361-W1367 WeakPolarHBondContact OE2-CZ3 3.33Å |
| 1362 | E | 43.6 | Very low | 41 | Very low | 139 Ų | 139 | 94.5 Ų | 94.5 | 65% | 0.65 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -55.7 | -27.7 | 173.8 | 52.7 | -98 | -129.2 | 0 | 0 | 114.5 | G1360 | G1360-E1362 WeakPolarHBondContact CA-OE2 3.24Å; G1360-E1362 PolarHBondContact N-OE2 3.2Å; G1360-E1362 PolarHBondContact O-N 2.83Å; G1360-E1362 VanDerWaalsContact O-N 3.14Å |
| 1363 | N | 44 | Very low | 42 | Very low | 121 Ų | 121 | 91.6 Ų | 91.6 | 65% | 0.647 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -77 | -20.9 | 179.1 | -71.5 | -32.5 | 0 | 0 | 0 | 113.6 | G1360 E1361 G1365 | G1360-N1363 PolarHBondContact O-N 2.96Å; E1361-N1363 PolarHBondContact O-N 2.91Å; E1361-N1363 VanDerWaalsContact O-N 3.16Å; N1363-G1365 PolarHBondContact O-N 2.84Å |
| 1364 | L | 48.2 | Very low | 43.4 | Very low | 49 Ų | 49 | 90.7 Ų | 90.7 | 26% | 0.257 | 47% | 0.469 | S | S | . | . | trans | -80.4 | 64.8 | -177.6 | -74.8 | 164.6 | 0 | 0 | 0 | 111.4 | N739 V743 E1361 N1366 W1367 | N739-L1364 HydrophobicContact CB-CD2 4.48Å; V743-L1364 HydrophobicContact CG2-CD2 3.79Å; E1361-L1364 HydrophobicContact CG-CD1 4.47Å; E1361-L1364 PolarHBondContact O-N 2.59Å; E1361-L1364 VanDerWaalsContact O-N 3.1Å; L1364-N1366 PolarHBondContact O-N 2.85Å; L1364-W1367 HydrophobicContact CB-CB 3.73Å; L1364-W1367 HydrophobicContact CD1-CG 4.47Å; L1364-W1367 PolarHBondContact O-N 3.05Å | ||
| 1365 | G | 41.3 | Very low | 44.5 | Very low | 35 Ų | 35 | 88.8 Ų | 88.8 | 36% | 0.361 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 7.6 | -164.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | K297 N1363 | K297-G1365 PolarHBondContact NZ-O 3.1Å; N1363-G1365 PolarHBondContact O-N 2.84Å |
| 1366 | N | 43.7 | Very low | 45.7 | Very low | 125 Ų | 125 | 90 Ų | 90 | 67% | 0.668 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.9 | -12.5 | 171.4 | -79.1 | 1.8 | 0 | 0 | 0 | 113.7 | K297 L1364 | K297-N1366 PolarHBondContact NZ-OD1 3.05Å; L1364-N1366 PolarHBondContact O-N 2.85Å |
| 1367 | W | 39.2 | Very low | 46.8 | Very low | 66 Ų | 66 | 89.4 Ų | 89.4 | 25% | 0.25 | 44% | 0.441 | C | S | . | . | trans | -75.6 | 152 | -169.7 | -167.9 | 86.4 | 0 | 0 | 0 | 112.1 | E1361 L1364 P1369 | E1361-W1367 WeakPolarHBondContact OE2-CZ3 3.33Å; L1364-W1367 HydrophobicContact CB-CB 3.73Å; L1364-W1367 HydrophobicContact CD1-CG 4.47Å; L1364-W1367 PolarHBondContact O-N 3.05Å; W1367-P1369 HydrophobicContact CH2-CB 3.79Å; W1367-P1369 HydrophobicContact CH2-CG 4.48Å; W1367-P1369 HydrophobicContact CZ3-CB 3.89Å; W1367-P1369 HydrophobicContact CZ3-CG 4.08Å | ||
| 1368 | R | 39.3 | Very low | 48.5 | Very low | 216 Ų | 216 | 83 Ų | 83 | 82% | 0.815 | 42% | 0.416 | S | S | * | . | trans | -144.3 | 135.1 | 169.1 | -69 | -170.9 | 176.8 | -154.5 | -1.4 | 109.2 | R1370 | R1368-R1370 PolarHBondContact O-N 3.2Š| ||
| 1369 | P | 40 | Very low | 49.8 | Very low | 44 Ų | 44 | 80.3 Ų | 80.3 | 29% | 0.286 | 40% | 0.404 | S | S | . | . | trans | -67.2 | 123.4 | 170.4 | 27 | -31 | 0 | 0 | 0 | 109.5 | W1367 G1371 | W1367-P1369 HydrophobicContact CH2-CB 3.79Å; W1367-P1369 HydrophobicContact CH2-CG 4.48Å; W1367-P1369 HydrophobicContact CZ3-CB 3.89Å; W1367-P1369 HydrophobicContact CZ3-CG 4.08Å; P1369-G1371 PolarHBondContact O-N 3.25Å | ||
| 1370 | R | 43.3 | Very low | 51.4 | Low | 126 Ų | 126 | 75.8 Ų | 75.8 | 48% | 0.475 | 39% | 0.387 | S | S | . | . | trans | -78.6 | 72.3 | 170.9 | -65.9 | -146.7 | -152.9 | 179.5 | 7.7 | 110.6 | R1368 S1373 D1377 | R1368-R1370 PolarHBondContact O-N 3.2Å; R1370-S1373 WeakPolarHBondContact CD-OG 3.12Å; R1370-D1377 IonicContact NH1-OD2 3.22Å; R1370-D1377 PolarHBondContact NH1-OD2 2.89Å | ||
| 1371 | G | 38.4 | Very low | 52.8 | Low | 34 Ų | 34 | 76.8 Ų | 76.8 | 35% | 0.351 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 136.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | P1369 S1373 | P1369-G1371 PolarHBondContact O-N 3.25Å; G1371-S1373 PolarHBondContact O-N 3.19Å |
| 1372 | D | 42.6 | Very low | 54 | Low | 106 Ų | 106 | 77.3 Ų | 77.3 | 57% | 0.567 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | -36.5 | -172.2 | -71.7 | -38 | 0 | 0 | 0 | 118 | L1374 F1376 | D1372-L1374 PolarHBondContact O-N 3.41Å; D1372-F1376 HydrophobicContact CB-CD2 4.48Å; D1372-F1376 HydrophobicContact CB-CE2 4.4Å; D1372-F1376 VanDerWaalsContact O-CD2 3.28Å; D1372-F1376 WeakPolarHBondContact O-CD2 3.18Å |
| 1373 | S | 58.3 | Low | 55.3 | Low | 31 Ų | 31 | 75 Ų | 75 | 22% | 0.217 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -69.1 | -40.2 | -157.2 | 98.5 | 0 | 0 | 0 | 0 | 115.1 | R1370 G1371 I1375 F1376 D1377 | R1370-S1373 WeakPolarHBondContact CD-OG 3.12Å; G1371-S1373 PolarHBondContact O-N 3.19Å; S1373-I1375 VanDerWaalsContact C-N 3.28Å; S1373-I1375 PolarHBondContact O-N 3.43Å; S1373-I1375 VanDerWaalsContact O-N 3.08Å; S1373-F1376 CarbonylContact O-C 3.57Å; S1373-F1376 PolarHBondContact O-N 3.16Å; S1373-D1377 WeakPolarHBondContact CB-OD2 3.17Å; S1373-D1377 WeakPolarHBondContact O-CB 3.48Å; S1373-D1377 PolarHBondContact O-N 3.43Å; S1373-D1377 PolarHBondContact OG-OD2 3.49Å |
| 1374 | L | 65.2 | Low | 56.7 | Low | 29 Ų | 29 | 72.4 Ų | 72.4 | 15% | 0.152 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -56.7 | -38.2 | -165.1 | -175.4 | 64.5 | 0 | 0 | 0 | 113.9 | L728 F753 L755 D1372 H1378 | L728-L1374 HydrophobicContact CD2-CD2 4.39Å; F753-L1374 HydrophobicContact CB-CD2 3.97Å; L755-L1374 HydrophobicContact CD1-CG 4.31Å; L755-L1374 HydrophobicContact CG-CD2 4.32Å; L755-L1374 HydrophobicContact CG-CG 4.19Å; D1372-L1374 PolarHBondContact O-N 3.41Å; L1374-H1378 VanDerWaalsContact O-CB 3.23Å; L1374-H1378 WeakPolarHBondContact O-CB 3.4Å; L1374-H1378 PolarHBondContact O-N 3.38Å |
| 1375 | I | 65.4 | Low | 57.9 | Low | 28 Ų | 28 | 70.5 Ų | 70.5 | 14% | 0.144 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -73.4 | -37.9 | 178.1 | -73.5 | 171.4 | 0 | 0 | 0 | 111.5 | F721 L755 V1350 S1373 A1379 | F721-I1375 HydrophobicContact CD1-CG2 3.72Å; F721-I1375 HydrophobicContact CE1-CG2 3.77Å; F721-I1375 HydrophobicContact CG-CG2 4.45Å; L755-I1375 HydrophobicContact CD1-CG1 3.93Å; V1350-I1375 HydrophobicContact CG1-CD1 3.94Å; S1373-I1375 VanDerWaalsContact C-N 3.28Å; S1373-I1375 PolarHBondContact O-N 3.43Å; S1373-I1375 VanDerWaalsContact O-N 3.08Å; I1375-A1379 VanDerWaalsContact O-CB 3.28Å; I1375-A1379 WeakPolarHBondContact O-CB 3.39Å; I1375-A1379 PolarHBondContact O-N 3.35Å |
| 1376 | F | 64.2 | Low | 59.3 | Low | 118 Ų | 118 | 71.5 Ų | 71.5 | 52% | 0.518 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -77.1 | -41.2 | 179.4 | -65.3 | -60.7 | 0 | 0 | 0 | 112.7 | D1372 S1373 H1378 A1379 W1380 | D1372-F1376 HydrophobicContact CB-CD2 4.48Å; D1372-F1376 HydrophobicContact CB-CE2 4.4Å; D1372-F1376 VanDerWaalsContact O-CD2 3.28Å; D1372-F1376 WeakPolarHBondContact O-CD2 3.18Å; S1373-F1376 CarbonylContact O-C 3.57Å; S1373-F1376 PolarHBondContact O-N 3.16Å; F1376-H1378 VanDerWaalsContact C-N 3.3Å; F1376-H1378 PolarHBondContact O-N 3.49Å; F1376-A1379 PolarHBondContact O-N 3.09Å; F1376-W1380 WeakPolarHBondContact O-CB 3.36Å; F1376-W1380 PolarHBondContact O-N 2.77Å |
| 1377 | D | 65.3 | Low | 60.8 | Low | 64 Ų | 64 | 72 Ų | 72 | 34% | 0.342 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -52.4 | -51.2 | 172.3 | -67.1 | -18 | 0 | 0 | 0 | 109.6 | R1370 S1373 W1380 E1381 | R1370-D1377 IonicContact NH1-OD2 3.22Å; R1370-D1377 PolarHBondContact NH1-OD2 2.89Å; S1373-D1377 WeakPolarHBondContact CB-OD2 3.17Å; S1373-D1377 WeakPolarHBondContact O-CB 3.48Å; S1373-D1377 PolarHBondContact O-N 3.43Å; S1373-D1377 PolarHBondContact OG-OD2 3.49Å; D1377-W1380 PolarHBondContact O-N 2.94Å; D1377-E1381 PolarHBondContact O-N 3.22Å |
| 1378 | H | 72.7 | Confident | 62.7 | Low | 11 Ų | 11 | 70.6 Ų | 70.6 | 5% | 0.051 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.6 | -38.3 | -179.3 | 176.8 | -103 | 0 | 0 | 0 | 113.2 | F721 L755 T757 T783 L1374 F1376 W1380 E1381 I1382 | F721-H1378 AromaticContact CE1-CE1 3.89Å; L755-H1378 HydrophobicContact CB-CB 4Å; L755-H1378 VanDerWaalsContact CB-CG 3.48Å; L755-H1378 HydrophobicContact CD1-CB 4.07Å; L755-H1378 PolarHBondContact O-CD2 3.3Å; T757-H1378 PolarHBondContact OG1-NE2 3.2Å; T783-H1378 WeakPolarHBondContact CB-NE2 3.31Å; T783-H1378 WeakPolarHBondContact CG2-NE2 3.29Å; T783-H1378 PolarHBondContact OG1-NE2 3.16Å; L1374-H1378 VanDerWaalsContact O-CB 3.23Å; L1374-H1378 WeakPolarHBondContact O-CB 3.4Å; L1374-H1378 PolarHBondContact O-N 3.38Å; F1376-H1378 VanDerWaalsContact C-N 3.3Å; F1376-H1378 PolarHBondContact O-N 3.49Å; H1378-W1380 VanDerWaalsContact C-N 3.3Å; H1378-W1380 PolarHBondContact O-N 2.98Å; H1378-E1381 PolarHBondContact O-N 2.95Å; H1378-I1382 WeakPolarHBondContact NE2-CD1 3.42Å; H1378-I1382 WeakPolarHBondContact O-CG1 3.44Å; H1378-I1382 PolarHBondContact O-N 3.41Å |
| 1379 | A | 67.7 | Low | 64.3 | Low | 38 Ų | 38 | 62.3 Ų | 62.3 | 31% | 0.314 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1375 F1376 E1383 | I1375-A1379 VanDerWaalsContact O-CB 3.28Å; I1375-A1379 WeakPolarHBondContact O-CB 3.39Å; I1375-A1379 PolarHBondContact O-N 3.35Å; F1376-A1379 PolarHBondContact O-N 3.09Å; A1379-E1383 PolarHBondContact O-N 3.12Å |
| 1380 | W | 69.3 | Low | 66 | Low | 149 Ų | 149 | 65.7 Ų | 65.7 | 56% | 0.564 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.5 | -35.7 | 172.9 | -179 | 88.5 | 0 | 0 | 0 | 112.2 | F1376 D1377 H1378 E1383 R1384 | F1376-W1380 WeakPolarHBondContact O-CB 3.36Å; F1376-W1380 PolarHBondContact O-N 2.77Å; D1377-W1380 PolarHBondContact O-N 2.94Å; H1378-W1380 VanDerWaalsContact C-N 3.3Å; H1378-W1380 PolarHBondContact O-N 2.98Å; W1380-E1383 PolarHBondContact O-N 2.99Å; W1380-R1384 VanDerWaalsContact O-CB 3.26Å; W1380-R1384 WeakPolarHBondContact O-CB 3.49Å; W1380-R1384 PolarHBondContact O-N 3.12Å |
| 1381 | E | 70 | Confident | 67.7 | Low | 56 Ų | 56 | 63.1 Ų | 63.1 | 26% | 0.262 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.2 | -45.5 | 174.1 | -170.5 | 150.1 | -126.9 | 0 | 0 | 112 | K876 D1377 H1378 E1383 R1384 L1385 | K876-E1381 WeakPolarHBondContact CA-OE1 3.27Å; D1377-E1381 PolarHBondContact O-N 3.22Å; H1378-E1381 PolarHBondContact O-N 2.95Å; E1381-E1383 VanDerWaalsContact C-N 3.33Å; E1381-E1383 PolarHBondContact O-N 3.32Å; E1381-R1384 WeakPolarHBondContact O-CB 3.25Å; E1381-R1384 PolarHBondContact O-N 3.21Å; E1381-L1385 WeakPolarHBondContact O-CG 3.1Å; E1381-L1385 PolarHBondContact O-N 3.24Å |
| 1382 | I | 72.1 | Confident | 69.4 | Low | 39 Ų | 39 | 62.2 Ų | 62.2 | 20% | 0.2 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.5 | -46.5 | 170.7 | -65.1 | 161 | 0 | 0 | 0 | 110.7 | H1378 R1384 L1385 T1386 | H1378-I1382 WeakPolarHBondContact NE2-CD1 3.42Å; H1378-I1382 WeakPolarHBondContact O-CG1 3.44Å; H1378-I1382 PolarHBondContact O-N 3.41Å; I1382-R1384 VanDerWaalsContact C-N 3.35Å; I1382-R1384 PolarHBondContact O-N 2.66Å; I1382-L1385 PolarHBondContact O-N 2.7Å; I1382-T1386 WeakPolarHBondContact O-CB 3.43Å; I1382-T1386 PolarHBondContact O-N 2.83Å; I1382-T1386 PolarHBondContact O-OG1 2.75Å |
| 1383 | E | 71.3 | Confident | 70.9 | Confident | 89 Ų | 89 | 62.2 Ų | 62.2 | 42% | 0.416 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 179.3 | -165.8 | -173.5 | -166 | 0 | 0 | 111.3 | A1379 W1380 E1381 T1386 R1387 | A1379-E1383 PolarHBondContact O-N 3.12Å; W1380-E1383 PolarHBondContact O-N 2.99Å; E1381-E1383 VanDerWaalsContact C-N 3.33Å; E1381-E1383 PolarHBondContact O-N 3.32Å; E1383-T1386 PolarHBondContact O-N 2.86Å; E1383-R1387 VanDerWaalsContact CD-CZ 3.49Å; E1383-R1387 VanDerWaalsContact CD-NE 3.3Å; E1383-R1387 HydrophobicContact CG-CG 4.32Å; E1383-R1387 WeakPolarHBondContact O-CB 3.24Å; E1383-R1387 VanDerWaalsContact O-CG 3.26Å; E1383-R1387 WeakPolarHBondContact O-CG 3.14Å; E1383-R1387 PolarHBondContact O-N 2.8Å; E1383-R1387 IonicContact OE1-CZ 2.66Å; E1383-R1387 IonicContact OE1-NE 3.7Å; E1383-R1387 PolarHBondContact OE1-NE 2.8Å; E1383-R1387 IonicContact OE1-NH2 2.91Å; E1383-R1387 PolarHBondContact OE1-NH2 3.48Å; E1383-R1387 IonicContact OE2-CZ 3.62Å; E1383-R1387 IonicContact OE2-NE 3.92Å; E1383-R1387 IonicContact OE2-NH2 3.53Å; E1383-R1387 PolarHBondContact OE2-NH2 3.37Å |
| 1384 | R | 73.4 | Confident | 71.8 | Confident | 67 Ų | 67 | 64.3 Ų | 64.3 | 25% | 0.253 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 176 | 173.2 | 178.5 | 168.4 | -159.5 | -5 | 111.9 | K876 G877 W1380 E1381 I1382 R1387 L1388 | K876-R1384 PolarHBondContact O-NH1 2.81Å; K876-R1384 VanDerWaalsContact O-NH1 3.16Å; K876-R1384 PolarHBondContact O-NH2 2.84Å; G877-R1384 PolarHBondContact O-NE 3.41Å; G877-R1384 PolarHBondContact O-NH2 2.86Å; W1380-R1384 VanDerWaalsContact O-CB 3.26Å; W1380-R1384 WeakPolarHBondContact O-CB 3.49Å; W1380-R1384 PolarHBondContact O-N 3.12Å; E1381-R1384 WeakPolarHBondContact O-CB 3.25Å; E1381-R1384 PolarHBondContact O-N 3.21Å; I1382-R1384 VanDerWaalsContact C-N 3.35Å; I1382-R1384 PolarHBondContact O-N 2.66Å; R1384-R1387 PolarHBondContact O-N 3.22Å; R1384-L1388 HydrophobicContact CG-CD1 4.27Å; R1384-L1388 WeakPolarHBondContact O-CB 3.17Å; R1384-L1388 VanDerWaalsContact O-CG 3.29Å; R1384-L1388 WeakPolarHBondContact O-CG 3.28Å; R1384-L1388 PolarHBondContact O-N 2.94Å |
| 1385 | L | 73.7 | Confident | 72.5 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63 | -41.8 | 175.9 | -66.7 | 178.2 | 0 | 0 | 0 | 111.3 | T759 Y761 E1381 I1382 L1388 Q1389 | T759-L1385 HydrophobicContact CG2-CD1 4.36Å; Y761-L1385 HydrophobicContact CD2-CB 4.25Å; Y761-L1385 HydrophobicContact CD2-CD2 3.75Å; Y761-L1385 HydrophobicContact CG-CD2 4.03Å; E1381-L1385 WeakPolarHBondContact O-CG 3.1Å; E1381-L1385 PolarHBondContact O-N 3.24Å; I1382-L1385 PolarHBondContact O-N 2.7Å; L1385-L1388 WeakPolarHBondContact O-CB 3.39Å; L1385-L1388 PolarHBondContact O-N 3.32Å; L1385-Q1389 WeakPolarHBondContact O-CG 3.48Å; L1385-Q1389 PolarHBondContact O-N 3.3Å |
| 1386 | T | 71.2 | Confident | 73.1 | Confident | 57 Ų | 57 | 65.9 Ų | 65.9 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63 | -47.6 | 176.7 | -56 | 0 | 0 | 0 | 0 | 111.6 | I1382 E1383 L1388 Q1389 Q1390 | I1382-T1386 WeakPolarHBondContact O-CB 3.43Å; I1382-T1386 PolarHBondContact O-N 2.83Å; I1382-T1386 PolarHBondContact O-OG1 2.75Å; E1383-T1386 PolarHBondContact O-N 2.86Å; T1386-L1388 VanDerWaalsContact C-N 3.31Å; T1386-L1388 PolarHBondContact O-N 3.2Å; T1386-Q1389 PolarHBondContact O-N 2.97Å; T1386-Q1390 WeakPolarHBondContact O-CG 3.28Å; T1386-Q1390 PolarHBondContact O-N 3.48Å |
| 1387 | R | 74.5 | Confident | 73.7 | Confident | 136 Ų | 136 | 64.7 Ų | 64.7 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61 | -37.8 | 174.7 | -72.2 | 173 | 179.4 | -163 | 6.1 | 111.4 | E1383 R1384 Q1390 V1391 | E1383-R1387 VanDerWaalsContact CD-CZ 3.49Å; E1383-R1387 VanDerWaalsContact CD-NE 3.3Å; E1383-R1387 HydrophobicContact CG-CG 4.32Å; E1383-R1387 WeakPolarHBondContact O-CB 3.24Å; E1383-R1387 VanDerWaalsContact O-CG 3.26Å; E1383-R1387 WeakPolarHBondContact O-CG 3.14Å; E1383-R1387 PolarHBondContact O-N 2.8Å; E1383-R1387 IonicContact OE1-CZ 2.66Å; E1383-R1387 IonicContact OE1-NE 3.7Å; E1383-R1387 PolarHBondContact OE1-NE 2.8Å; E1383-R1387 IonicContact OE1-NH2 2.91Å; E1383-R1387 PolarHBondContact OE1-NH2 3.48Å; E1383-R1387 IonicContact OE2-CZ 3.62Å; E1383-R1387 IonicContact OE2-NE 3.92Å; E1383-R1387 IonicContact OE2-NH2 3.53Å; E1383-R1387 PolarHBondContact OE2-NH2 3.37Å; R1384-R1387 PolarHBondContact O-N 3.22Å; R1387-Q1390 PolarHBondContact O-N 2.76Å; R1387-V1391 WeakPolarHBondContact O-CB 3.46Å; R1387-V1391 VanDerWaalsContact O-CG2 3.26Å; R1387-V1391 WeakPolarHBondContact O-CG2 3.5Å; R1387-V1391 PolarHBondContact O-N 3.44Å |
| 1388 | L | 78.1 | Confident | 74.5 | Confident | 35 Ų | 35 | 65.8 Ų | 65.8 | 18% | 0.183 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.6 | -43 | 174.6 | -77.2 | 167.3 | 0 | 0 | 0 | 112.4 | Y761 V873 R1384 L1385 T1386 V1391 E1392 | Y761-L1388 HydrophobicContact CE2-CB 3.93Å; V873-L1388 HydrophobicContact CG1-CD1 4.45Å; R1384-L1388 HydrophobicContact CG-CD1 4.27Å; R1384-L1388 WeakPolarHBondContact O-CB 3.17Å; R1384-L1388 VanDerWaalsContact O-CG 3.29Å; R1384-L1388 WeakPolarHBondContact O-CG 3.28Å; R1384-L1388 PolarHBondContact O-N 2.94Å; L1385-L1388 WeakPolarHBondContact O-CB 3.39Å; L1385-L1388 PolarHBondContact O-N 3.32Å; T1386-L1388 VanDerWaalsContact C-N 3.31Å; T1386-L1388 PolarHBondContact O-N 3.2Å; L1388-V1391 PolarHBondContact O-N 3.22Å; L1388-E1392 PolarHBondContact O-N 2.8Å |
| 1389 | Q | 73.3 | Confident | 74.8 | Confident | 42 Ų | 42 | 68.2 Ų | 68.2 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 174.1 | -67.1 | 176.3 | 9.4 | 0 | 0 | 111.4 | Y761 L1385 T1386 V1391 E1392 R1393 | Y761-Q1389 HydrophobicContact CD2-CG 4.32Å; Y761-Q1389 HydrophobicContact CE2-CG 3.77Å; L1385-Q1389 WeakPolarHBondContact O-CG 3.48Å; L1385-Q1389 PolarHBondContact O-N 3.3Å; T1386-Q1389 PolarHBondContact O-N 2.97Å; Q1389-V1391 VanDerWaalsContact C-N 3.33Å; Q1389-V1391 PolarHBondContact O-N 2.75Å; Q1389-E1392 PolarHBondContact O-N 3.34Å; Q1389-R1393 WeakPolarHBondContact O-CB 3.41Å; Q1389-R1393 PolarHBondContact O-N 3.44Å |
| 1390 | Q | 75.1 | Confident | 75.3 | Confident | 115 Ų | 115 | 67 Ų | 67 | 54% | 0.537 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.8 | -41.2 | 176.7 | -69.5 | 174.4 | -4.4 | 0 | 0 | 112.2 | T1386 R1387 T1394 | T1386-Q1390 WeakPolarHBondContact O-CG 3.28Å; T1386-Q1390 PolarHBondContact O-N 3.48Å; R1387-Q1390 PolarHBondContact O-N 2.76Å; Q1390-T1394 VanDerWaalsContact O-CB 3.25Å; Q1390-T1394 WeakPolarHBondContact O-CB 3.41Å; Q1390-T1394 PolarHBondContact O-N 2.71Å; Q1390-T1394 PolarHBondContact O-OG1 2.76Å |
| 1391 | V | 79 | Confident | 75.8 | Confident | 72 Ų | 72 | 65 Ų | 65 | 44% | 0.436 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 178.8 | 164.6 | 0 | 0 | 0 | 0 | 112.2 | R1387 L1388 Q1389 R1395 | R1387-V1391 WeakPolarHBondContact O-CB 3.46Å; R1387-V1391 VanDerWaalsContact O-CG2 3.26Å; R1387-V1391 WeakPolarHBondContact O-CG2 3.5Å; R1387-V1391 PolarHBondContact O-N 3.44Å; L1388-V1391 PolarHBondContact O-N 3.22Å; Q1389-V1391 VanDerWaalsContact C-N 3.33Å; Q1389-V1391 PolarHBondContact O-N 2.75Å; V1391-R1395 VanDerWaalsContact O-CB 3.27Å; V1391-R1395 WeakPolarHBondContact O-CB 3.21Å; V1391-R1395 PolarHBondContact O-N 2.79Å |
| 1392 | E | 74.9 | Confident | 76.3 | Confident | 16 Ų | 16 | 70.8 Ų | 70.8 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.9 | -39.9 | 177.6 | -64.4 | -52.4 | 139.5 | 0 | 0 | 112.2 | L1388 Q1389 T1394 R1395 L1396 | L1388-E1392 PolarHBondContact O-N 2.8Å; Q1389-E1392 PolarHBondContact O-N 3.34Å; E1392-T1394 VanDerWaalsContact C-N 3.34Å; E1392-T1394 PolarHBondContact O-N 3.25Å; E1392-R1395 VanDerWaalsContact CD-CZ 3.48Å; E1392-R1395 PolarHBondContact O-N 3.46Å; E1392-R1395 IonicContact OE1-CZ 2.66Å; E1392-R1395 IonicContact OE1-NE 3.76Å; E1392-R1395 IonicContact OE1-NH1 2.73Å; E1392-R1395 PolarHBondContact OE1-NH1 3.19Å; E1392-R1395 IonicContact OE1-NH2 2.66Å; E1392-R1395 PolarHBondContact OE1-NH2 2.81Å; E1392-R1395 IonicContact OE2-CZ 2.66Å; E1392-R1395 VanDerWaalsContact OE2-CZ 3.24Å; E1392-R1395 IonicContact OE2-NE 3.25Å; E1392-R1395 IonicContact OE2-NH1 3.73Å; E1392-R1395 PolarHBondContact OE2-NH1 2.75Å; E1392-R1395 IonicContact OE2-NH2 2.79Å; E1392-L1396 PolarHBondContact O-N 2.83Å |
| 1393 | R | 75.1 | Confident | 76.5 | Confident | 105 Ų | 105 | 74.1 Ų | 74.1 | 40% | 0.396 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 172.6 | -166.8 | 178.4 | -172.8 | -168.1 | 3.1 | 111.1 | Y856 Q1389 L1396 I1397 | Y856-R1393 HydrophobicContact CE2-CB 4.04Å; Y856-R1393 HydrophobicContact CE2-CG 4.38Å; Q1389-R1393 WeakPolarHBondContact O-CB 3.41Å; Q1389-R1393 PolarHBondContact O-N 3.44Å; R1393-L1396 PolarHBondContact O-N 2.78Å; R1393-I1397 HydrophobicContact CG-CD1 4.38Å; R1393-I1397 WeakPolarHBondContact O-CG1 3.18Å; R1393-I1397 PolarHBondContact O-N 2.71Å; R1393-I1397 VanDerWaalsContact O-N 3.09Å |
| 1394 | T | 77 | Confident | 76.7 | Confident | 75 Ų | 75 | 72.4 Ų | 72.4 | 46% | 0.46 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 176 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | Q1390 E1392 L1396 I1397 L1398 | Q1390-T1394 VanDerWaalsContact O-CB 3.25Å; Q1390-T1394 WeakPolarHBondContact O-CB 3.41Å; Q1390-T1394 PolarHBondContact O-N 2.71Å; Q1390-T1394 PolarHBondContact O-OG1 2.76Å; E1392-T1394 VanDerWaalsContact C-N 3.34Å; E1392-T1394 PolarHBondContact O-N 3.25Å; T1394-L1396 VanDerWaalsContact C-N 3.29Å; T1394-L1396 PolarHBondContact O-N 2.75Å; T1394-I1397 PolarHBondContact O-N 3.12Å; T1394-L1398 HydrophobicContact CG2-CD1 4.02Å; T1394-L1398 HydrophobicContact CG2-CG 4.39Å; T1394-L1398 WeakPolarHBondContact O-CB 3.29Å; T1394-L1398 VanDerWaalsContact O-CG 3.31Å; T1394-L1398 WeakPolarHBondContact O-CG 3.31Å; T1394-L1398 PolarHBondContact O-N 3.08Å |
| 1395 | R | 80.3 | Confident | 76.8 | Confident | 82 Ų | 82 | 75.8 Ų | 75.8 | 31% | 0.309 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.2 | -36.8 | 177 | -172.8 | -174.9 | -63.8 | 155.2 | 9.3 | 111.8 | V1391 E1392 R1399 | V1391-R1395 VanDerWaalsContact O-CB 3.27Å; V1391-R1395 WeakPolarHBondContact O-CB 3.21Å; V1391-R1395 PolarHBondContact O-N 2.79Å; E1392-R1395 VanDerWaalsContact CD-CZ 3.48Å; E1392-R1395 PolarHBondContact O-N 3.46Å; E1392-R1395 IonicContact OE1-CZ 2.66Å; E1392-R1395 IonicContact OE1-NE 3.76Å; E1392-R1395 IonicContact OE1-NH1 2.73Å; E1392-R1395 PolarHBondContact OE1-NH1 3.19Å; E1392-R1395 IonicContact OE1-NH2 2.66Å; E1392-R1395 PolarHBondContact OE1-NH2 2.81Å; E1392-R1395 IonicContact OE2-CZ 2.66Å; E1392-R1395 VanDerWaalsContact OE2-CZ 3.24Å; E1392-R1395 IonicContact OE2-NE 3.25Å; E1392-R1395 IonicContact OE2-NH1 3.73Å; E1392-R1395 PolarHBondContact OE2-NH1 2.75Å; E1392-R1395 IonicContact OE2-NH2 2.79Å; R1395-R1399 WeakPolarHBondContact O-CG 3.15Å; R1395-R1399 PolarHBondContact O-N 3.32Å |
| 1396 | L | 77 | Confident | 76.7 | Confident | 9 Ų | 9 | 80 Ų | 80 | 5% | 0.047 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66 | -50.8 | 175 | -173.1 | 129.4 | 0 | 0 | 0 | 111.5 | Y856 H868 E1392 R1393 T1394 L1398 R1399 L1400 | Y856-L1396 HydrophobicContact CD2-CD1 4.29Å; Y856-L1396 WeakPolarHBondContact O-CD1 3.43Å; H868-L1396 WeakPolarHBondContact NE2-CD1 3.5Å; E1392-L1396 PolarHBondContact O-N 2.83Å; R1393-L1396 PolarHBondContact O-N 2.78Å; T1394-L1396 VanDerWaalsContact C-N 3.29Å; T1394-L1396 PolarHBondContact O-N 2.75Å; L1396-L1398 VanDerWaalsContact C-N 3.28Å; L1396-L1398 PolarHBondContact O-N 2.99Å; L1396-R1399 WeakPolarHBondContact O-CB 3.11Å; L1396-R1399 PolarHBondContact O-N 3.03Å; L1396-L1400 WeakPolarHBondContact O-CB 3.18Å; L1396-L1400 PolarHBondContact O-N 2.8Å |
| 1397 | I | 77.1 | Confident | 76.5 | Confident | 93 Ų | 93 | 80.5 Ų | 80.5 | 48% | 0.477 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.8 | -42.8 | 176.1 | -66.2 | 164.4 | 0 | 0 | 0 | 111 | R1393 T1394 L1400 R1401 | R1393-I1397 HydrophobicContact CG-CD1 4.38Å; R1393-I1397 WeakPolarHBondContact O-CG1 3.18Å; R1393-I1397 PolarHBondContact O-N 2.71Å; R1393-I1397 VanDerWaalsContact O-N 3.09Å; T1394-I1397 PolarHBondContact O-N 3.12Å; I1397-L1400 PolarHBondContact O-N 3.34Å; I1397-R1401 WeakPolarHBondContact O-CB 3.24Å; I1397-R1401 PolarHBondContact O-N 3.04Å |
| 1398 | L | 81.1 | Confident | 75.9 | Confident | 87 Ų | 87 | 81 Ų | 81 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68 | -32 | 177.4 | -71.2 | 173.6 | 0 | 0 | 0 | 113.7 | T1394 L1396 R1402 | T1394-L1398 HydrophobicContact CG2-CD1 4.02Å; T1394-L1398 HydrophobicContact CG2-CG 4.39Å; T1394-L1398 WeakPolarHBondContact O-CB 3.29Å; T1394-L1398 VanDerWaalsContact O-CG 3.31Å; T1394-L1398 WeakPolarHBondContact O-CG 3.31Å; T1394-L1398 PolarHBondContact O-N 3.08Å; L1396-L1398 VanDerWaalsContact C-N 3.28Å; L1396-L1398 PolarHBondContact O-N 2.99Å; L1398-R1402 WeakPolarHBondContact O-CG 3.46Å; L1398-R1402 PolarHBondContact O-N 3.32Å |
| 1399 | R | 80.4 | Confident | 74.9 | Confident | 62 Ų | 62 | 86.6 Ų | 86.6 | 23% | 0.234 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70.4 | -46 | 171.9 | -77.1 | 176.5 | -179.7 | 149.6 | 1.2 | 111.3 | L866 K869 R1395 L1396 R1402 R1403 | L866-R1399 HydrophobicContact CD1-CB 4.27Å; K869-R1399 VanDerWaalsContact O-CZ 3.3Å; K869-R1399 PolarHBondContact O-NH1 3.46Å; K869-R1399 PolarHBondContact O-NH2 3.29Å; R1395-R1399 WeakPolarHBondContact O-CG 3.15Å; R1395-R1399 PolarHBondContact O-N 3.32Å; L1396-R1399 WeakPolarHBondContact O-CB 3.11Å; L1396-R1399 PolarHBondContact O-N 3.03Å; R1399-R1402 WeakPolarHBondContact O-CB 3.2Å; R1399-R1402 PolarHBondContact O-N 3.44Å; R1399-R1402 VanDerWaalsContact O-N 3.11Å; R1399-R1403 PolarHBondContact O-N 2.99Å |
| 1400 | L | 78.1 | Confident | 74 | Confident | 12 Ų | 12 | 91.4 Ų | 91.4 | 6% | 0.063 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 179 | -174.4 | 56.1 | 0 | 0 | 0 | 110.9 | N859 F862 V864 L1396 I1397 R1402 R1403 L1404 | N859-L1400 HydrophobicContact CB-CD1 4.01Å; F862-L1400 HydrophobicContact CD2-CD1 4.18Å; F862-L1400 HydrophobicContact CD2-CD2 3.81Å; F862-L1400 HydrophobicContact CD2-CG 4.32Å; F862-L1400 HydrophobicContact CE2-CD2 3.81Å; V864-L1400 HydrophobicContact CB-CD1 4.14Å; V864-L1400 HydrophobicContact CG1-CD1 4.22Å; V864-L1400 HydrophobicContact CG2-CD1 4.35Å; L1396-L1400 WeakPolarHBondContact O-CB 3.18Å; L1396-L1400 PolarHBondContact O-N 2.8Å; I1397-L1400 PolarHBondContact O-N 3.34Å; L1400-R1402 PolarHBondContact O-N 3.16Å; L1400-R1403 PolarHBondContact O-N 2.85Å; L1400-L1404 HydrophobicContact CD1-CD1 4.3Å; L1400-L1404 HydrophobicContact CD1-CG 4.34Å; L1400-L1404 HydrophobicContact CG-CD1 4.02Å; L1400-L1404 WeakPolarHBondContact O-CB 3.38Å; L1400-L1404 WeakPolarHBondContact O-CG 3.46Å; L1400-L1404 PolarHBondContact O-N 2.81Å |
| 1401 | R | 79.4 | Confident | 72.9 | Confident | 108 Ų | 108 | 93.2 Ų | 93.2 | 41% | 0.408 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.4 | -28.5 | 174.3 | -166.3 | 175.7 | -173.2 | -169.6 | 1.4 | 113.4 | I1397 K1405 T1424 | I1397-R1401 WeakPolarHBondContact O-CB 3.24Å; I1397-R1401 PolarHBondContact O-N 3.04Å; R1401-K1405 WeakPolarHBondContact O-CG 3.48Å; R1401-K1405 PolarHBondContact O-N 3.27Å; R1401-T1424 PolarHBondContact NH2-OG1 2.8Å |
| 1402 | R | 79.7 | Confident | 71.3 | Confident | 177 Ų | 177 | 95.6 Ų | 95.6 | 67% | 0.668 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -75.7 | -45.5 | 172.8 | -71.5 | 174.8 | -164.7 | -174 | 3.6 | 112.1 | L1398 R1399 L1400 K1405 Q1406 | L1398-R1402 WeakPolarHBondContact O-CG 3.46Å; L1398-R1402 PolarHBondContact O-N 3.32Å; R1399-R1402 WeakPolarHBondContact O-CB 3.2Å; R1399-R1402 PolarHBondContact O-N 3.44Å; R1399-R1402 VanDerWaalsContact O-N 3.11Å; L1400-R1402 PolarHBondContact O-N 3.16Å; R1402-K1405 PolarHBondContact O-N 3.29Å; R1402-Q1406 PolarHBondContact O-N 3.18Å; R1402-Q1406 VanDerWaalsContact O-N 3.07Å |
| 1403 | R | 77.2 | Confident | 69.5 | Low | 109 Ų | 109 | 102.5 Ų | 102.5 | 41% | 0.411 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 175.7 | -86 | -57.9 | -148.4 | -169.1 | 10.5 | 111.8 | V864 L866 R1399 L1400 K1405 Q1406 V1407 | V864-R1403 HydrophobicContact CG1-CB 3.52Å; V864-R1403 HydrophobicContact CG1-CG 3.86Å; L866-R1403 HydrophobicContact CD1-CG 4.27Å; R1399-R1403 PolarHBondContact O-N 2.99Å; L1400-R1403 PolarHBondContact O-N 2.85Å; R1403-K1405 VanDerWaalsContact C-N 3.27Å; R1403-K1405 PolarHBondContact O-N 3.31Å; R1403-Q1406 VanDerWaalsContact NH1-OE1 3.12Å; R1403-Q1406 WeakPolarHBondContact O-CA 3.4Å; R1403-Q1406 WeakPolarHBondContact O-CB 3.31Å; R1403-Q1406 PolarHBondContact O-N 2.96Å; R1403-V1407 PolarHBondContact O-N 2.94Å |
| 1404 | L | 75.1 | Confident | 67.8 | Low | 53 Ų | 53 | 106 Ų | 106 | 28% | 0.277 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.3 | -36.3 | 175.8 | -75.6 | 170.7 | 0 | 0 | 0 | 112.8 | F862 V864 L1400 K1408 | F862-L1404 HydrophobicContact CB-CD2 3.95Å; F862-L1404 HydrophobicContact CD1-CD1 4.03Å; F862-L1404 HydrophobicContact CD1-CD2 3.95Å; F862-L1404 HydrophobicContact CE1-CD1 4.22Å; F862-L1404 HydrophobicContact CG-CD1 4.22Å; F862-L1404 HydrophobicContact CG-CD2 4.1Å; V864-L1404 HydrophobicContact CG2-CD2 3.98Å; V864-L1404 HydrophobicContact CG2-CG 4.46Å; L1400-L1404 HydrophobicContact CD1-CD1 4.3Å; L1400-L1404 HydrophobicContact CD1-CG 4.34Å; L1400-L1404 HydrophobicContact CG-CD1 4.02Å; L1400-L1404 WeakPolarHBondContact O-CB 3.38Å; L1400-L1404 WeakPolarHBondContact O-CG 3.46Å; L1400-L1404 PolarHBondContact O-N 2.81Å; L1404-K1408 PolarHBondContact O-N 3.31Å |
| 1405 | K | 75.4 | Confident | 65.7 | Low | 137 Ų | 137 | 111.5 Ų | 111.5 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.1 | -42 | 170.9 | -81.7 | -170.6 | 171.3 | -156.5 | 0 | 112.4 | R1401 R1402 R1403 Q1409 | R1401-K1405 WeakPolarHBondContact O-CG 3.48Å; R1401-K1405 PolarHBondContact O-N 3.27Å; R1402-K1405 PolarHBondContact O-N 3.29Å; R1403-K1405 VanDerWaalsContact C-N 3.27Å; R1403-K1405 PolarHBondContact O-N 3.31Å; K1405-Q1409 WeakPolarHBondContact O-CB 3.1Å; K1405-Q1409 PolarHBondContact O-N 2.88Å |
| 1406 | Q | 71.8 | Confident | 63.4 | Low | 99 Ų | 99 | 113.8 Ų | 113.8 | 46% | 0.463 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 175.8 | -69.9 | 177.8 | -28.8 | 0 | 0 | 112 | R1402 R1403 Q1409 L1410 | R1402-Q1406 PolarHBondContact O-N 3.18Å; R1402-Q1406 VanDerWaalsContact O-N 3.07Å; R1403-Q1406 VanDerWaalsContact NH1-OE1 3.12Å; R1403-Q1406 WeakPolarHBondContact O-CA 3.4Å; R1403-Q1406 WeakPolarHBondContact O-CB 3.31Å; R1403-Q1406 PolarHBondContact O-N 2.96Å; Q1406-Q1409 PolarHBondContact O-N 3.42Å; Q1406-L1410 WeakPolarHBondContact O-CG 3.3Å; Q1406-L1410 PolarHBondContact O-N 3.15Å; Q1406-L1410 VanDerWaalsContact O-N 3.16Å |
| 1407 | V | 66.5 | Low | 61.3 | Low | 67 Ų | 67 | 119.2 Ų | 119.2 | 41% | 0.406 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.6 | -49.3 | 176.9 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | R1403 Q1409 L1410 M1411 | R1403-V1407 PolarHBondContact O-N 2.94Å; V1407-Q1409 VanDerWaalsContact C-N 3.25Å; V1407-Q1409 PolarHBondContact O-N 2.69Å; V1407-L1410 PolarHBondContact O-N 2.86Å; V1407-M1411 HydrophobicContact CG1-SD 4.43Å; V1407-M1411 PolarHBondContact O-N 3.45Å |
| 1408 | K | 62.6 | Low | 59.2 | Low | 147 Ų | 147 | 123.6 Ų | 123.6 | 64% | 0.639 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -59.8 | -36.2 | 175.4 | -75.2 | -156.6 | 171.4 | -156.2 | 0 | 112.6 | L1404 L1410 M1411 L1412 | L1404-K1408 PolarHBondContact O-N 3.31Å; K1408-L1410 PolarHBondContact O-N 3.36Å; K1408-M1411 CarbonylContact O-C 3.39Å; K1408-M1411 PolarHBondContact O-N 3.47Å; K1408-M1411 VanDerWaalsContact O-N 3.12Å; K1408-L1412 HydrophobicContact CB-CD1 4.23Å; K1408-L1412 WeakPolarHBondContact O-CB 3.36Å; K1408-L1412 WeakPolarHBondContact O-CD1 3.42Å; K1408-L1412 VanDerWaalsContact O-CG 3.23Å; K1408-L1412 WeakPolarHBondContact O-CG 3.23Å; K1408-L1412 PolarHBondContact O-N 3.19Å |
| 1409 | Q | 57.5 | Low | 56.8 | Low | 151 Ų | 151 | 126.4 Ų | 126.4 | 71% | 0.706 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -3.6 | 177.9 | -165.3 | 163.4 | 1.3 | 0 | 0 | 113.8 | K1405 Q1406 V1407 | K1405-Q1409 WeakPolarHBondContact O-CB 3.1Å; K1405-Q1409 PolarHBondContact O-N 2.88Å; Q1406-Q1409 PolarHBondContact O-N 3.42Å; V1407-Q1409 VanDerWaalsContact C-N 3.25Å; V1407-Q1409 PolarHBondContact O-N 2.69Å |
| 1410 | L | 54.9 | Low | 54.6 | Low | 144 Ų | 144 | 132 Ų | 132 | 75% | 0.754 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | 1.2 | 167.6 | -70.9 | 166.4 | 0 | 0 | 0 | 112.7 | Q1406 V1407 K1408 | Q1406-L1410 WeakPolarHBondContact O-CG 3.3Å; Q1406-L1410 PolarHBondContact O-N 3.15Å; Q1406-L1410 VanDerWaalsContact O-N 3.16Å; V1407-L1410 PolarHBondContact O-N 2.86Å; K1408-L1410 PolarHBondContact O-N 3.36Å |
| 1411 | M | 50.8 | Low | 52.3 | Low | 153 Ų | 153 | 139.3 Ų | 139.3 | 75% | 0.754 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -131.1 | 25.4 | -179.5 | -55.6 | -167.2 | 90.7 | 0 | 0 | 112.1 | V1407 K1408 | V1407-M1411 HydrophobicContact CG1-SD 4.43Å; V1407-M1411 PolarHBondContact O-N 3.45Å; K1408-M1411 CarbonylContact O-C 3.39Å; K1408-M1411 PolarHBondContact O-N 3.47Å; K1408-M1411 VanDerWaalsContact O-N 3.12Å |
| 1412 | L | 45.9 | Very low | 50 | Low | 122 Ų | 122 | 140.3 Ų | 140.3 | 64% | 0.639 | 70% | 0.699 | S | S | * | * | trans | -133.3 | 32.5 | -177.3 | -78.3 | 173.3 | 0 | 0 | 0 | 112.6 | K1408 E1414 | K1408-L1412 HydrophobicContact CB-CD1 4.23Å; K1408-L1412 WeakPolarHBondContact O-CB 3.36Å; K1408-L1412 WeakPolarHBondContact O-CD1 3.42Å; K1408-L1412 VanDerWaalsContact O-CG 3.23Å; K1408-L1412 WeakPolarHBondContact O-CG 3.23Å; K1408-L1412 PolarHBondContact O-N 3.19Å; L1412-E1414 VanDerWaalsContact C-N 3.31Å | ||
| 1413 | D | 37.3 | Very low | 47.6 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 86% | 0.856 | 71% | 0.707 | S | S | * | * | trans | -88.3 | 5.1 | 170 | -78.7 | -23.9 | 0 | 0 | 0 | 113 | ||||
| 1414 | E | 37.9 | Very low | 45.2 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 84% | 0.841 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -105.9 | 160.2 | 165.4 | -66.5 | -160 | 130.1 | 0 | 0 | 112.2 | L1412 | L1412-E1414 VanDerWaalsContact C-N 3.31Š|
| 1415 | Q | 34.1 | Very low | 43.1 | Very low | 190 Ų | 190 | 141.5 Ų | 141.5 | 89% | 0.888 | 73% | 0.731 | S | S | * | * | trans | -65.3 | 150.8 | -145.4 | -63 | -171.9 | -5.3 | 0 | 0 | 117.5 | ||||
| 1416 | P | 31.2 | Very low | 40.8 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | trans | -89.4 | 128.2 | 180 | 34.5 | -33.6 | 0 | 0 | 0 | 114.1 | ||||
| 1417 | S | 34.3 | Very low | 38.8 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | trans | -106 | 163.9 | 160.1 | 61.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1418 | K | 32 | Very low | 37 | Very low | 186 Ų | 186 | 143 Ų | 143 | 81% | 0.809 | 76% | 0.763 | S | S | * | * | trans | -91.9 | 170.3 | -166 | -63.3 | 179.3 | 179 | 175.2 | 0 | 114.9 | ||||
| 1419 | D | 31.9 | Very low | 35.4 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | trans | 96.7 | 162.5 | 150.4 | -56.3 | -43.2 | 0 | 0 | 0 | 120.3 | ||||
| 1420 | E | 33.5 | Very low | 34.1 | Very low | 179 Ų | 179 | 142 Ų | 142 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | 71.9 | 104.4 | -178.1 | -62.4 | -82.1 | 103 | 0 | 0 | 118 | V1422 | E1420-V1422 PolarHBondContact O-N 2.86Š| ||
| 1421 | N | 28.6 | Very low | 32.9 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | -81.7 | 95.7 | 178.7 | -93 | -60.9 | 0 | 0 | 0 | 113.3 | ||||
| 1422 | V | 31.2 | Very low | 31.9 | Very low | 128 Ų | 128 | 143 Ų | 143 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -95.6 | 95.9 | 172 | -174.9 | 0 | 0 | 0 | 0 | 111.9 | E1420 T1424 | E1420-V1422 PolarHBondContact O-N 2.86Å; V1422-T1424 PolarHBondContact O-N 3.47Å; V1422-T1424 VanDerWaalsContact O-N 3.16Å | ||
| 1423 | Q | 29.1 | Very low | 31.2 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -70.3 | 104.5 | 174.2 | -67.3 | -174.3 | -1 | 0 | 0 | 111.6 | P1425 | Q1423-P1425 WeakPolarHBondContact O-CD 3.41Š| ||
| 1424 | T | 28.1 | Very low | 30.8 | Very low | 76 Ų | 76 | 143.6 Ų | 143.6 | 47% | 0.466 | 77% | 0.772 | S | S | . | * | trans | -76 | 119.6 | 172.6 | 68.7 | 0 | 0 | 0 | 0 | 110.6 | R1401 V1422 | R1401-T1424 PolarHBondContact NH2-OG1 2.8Å; V1422-T1424 PolarHBondContact O-N 3.47Å; V1422-T1424 VanDerWaalsContact O-N 3.16Å | ||
| 1425 | P | 30.6 | Very low | 30.3 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | trans | -68.8 | 138.4 | 179.4 | 28.3 | -34.6 | 0 | 0 | 0 | 111.3 | Q1423 | Q1423-P1425 WeakPolarHBondContact O-CD 3.41Š| ||
| 1426 | V | 27.7 | Very low | 30.3 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -133.8 | 64.2 | 176.6 | -170.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1427 | S | 28.5 | Very low | 30.6 | Very low | 77 Ų | 77 | 138.9 Ų | 138.9 | 54% | 0.538 | 75% | 0.749 | S | S | . | * | trans | -155.1 | 132 | 157.2 | -169.2 | 0 | 0 | 0 | 0 | 109.9 | T1429 | S1427-T1429 VanDerWaalsContact C-N 3.3Å; S1427-T1429 PolarHBondContact O-N 3.33Å; S1427-T1429 PolarHBondContact OG-OG1 3.49Å | ||
| 1428 | P | 29.8 | Very low | 30.6 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | trans | -88.1 | 66.2 | 172.1 | 36.3 | -33.1 | 0 | 0 | 0 | 110.4 | ||||
| 1429 | T | 28.2 | Very low | 30.7 | Very low | 98 Ų | 98 | 136.9 Ų | 136.9 | 60% | 0.601 | 74% | 0.736 | S | S | * | * | trans | -140.1 | 143.8 | 178.2 | 42.3 | 0 | 0 | 0 | 0 | 110.9 | S1427 | S1427-T1429 VanDerWaalsContact C-N 3.3Å; S1427-T1429 PolarHBondContact O-N 3.33Å; S1427-T1429 PolarHBondContact OG-OG1 3.49Å | ||
| 1430 | E | 30.5 | Very low | 30.9 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | trans | 72.1 | 126.3 | 177.7 | -59.7 | 177.2 | -171 | 0 | 0 | 117.2 | ||||
| 1431 | P | 29.4 | Very low | 31.3 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 75% | 0.747 | 71% | 0.709 | S | S | * | * | trans | -73.8 | 136.2 | 169 | 31.5 | -32.8 | 0 | 0 | 0 | 110.4 | R1433 | P1431-R1433 PolarHBondContact O-N 2.81Š| ||
| 1432 | K | 31 | Very low | 32.9 | Very low | 205 Ų | 205 | 127.4 Ų | 127.4 | 89% | 0.891 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -70 | 22.3 | -168.9 | -70.9 | -172.2 | 172.7 | -176.3 | 0 | 117.1 | ||
| 1433 | R | 31 | Very low | 34.4 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 63% | 0.634 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -143.1 | 128.8 | 168.7 | -71.1 | -172.1 | 176.2 | 169.8 | -0.9 | 109.7 | P1431 I1435 | P1431-R1433 PolarHBondContact O-N 2.81Å; R1433-I1435 PolarHBondContact O-N 3.25Å |
| 1434 | P | 28.6 | Very low | 35.8 | Very low | 126 Ų | 126 | 122.8 Ų | 122.8 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 132.9 | 168.7 | 28.6 | -33.1 | 0 | 0 | 0 | 109.1 | ||
| 1435 | I | 28.2 | Very low | 37.1 | Very low | 148 Ų | 148 | 123.2 Ų | 123.2 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 126.4 | 166.5 | -58.3 | 173.8 | 0 | 0 | 0 | 106.2 | R1433 Q1437 | R1433-I1435 PolarHBondContact O-N 3.25Å; I1435-Q1437 PolarHBondContact O-N 2.93Å; I1435-Q1437 VanDerWaalsContact O-N 3.16Å |
| 1436 | P | 34 | Very low | 38.6 | Very low | 85 Ų | 85 | 123.6 Ų | 123.6 | 55% | 0.552 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 121.9 | 178.5 | -25.1 | 34.7 | 0 | 0 | 0 | 110.7 | Q1438 V1439 | P1436-Q1438 PolarHBondContact O-N 2.78Å; P1436-V1439 HydrophobicContact CB-CG2 4.14Å |
| 1437 | Q | 36.9 | Very low | 40.3 | Very low | 166 Ų | 166 | 122.7 Ų | 122.7 | 78% | 0.776 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -66.6 | -16.4 | -176.8 | -73.9 | -178.2 | -33.7 | 0 | 0 | 113.1 | I1435 | I1435-Q1437 PolarHBondContact O-N 2.93Å; I1435-Q1437 VanDerWaalsContact O-N 3.16Å |
| 1438 | Q | 33 | Very low | 41.6 | Very low | 172 Ų | 172 | 121.5 Ų | 121.5 | 80% | 0.804 | 63% | 0.634 | S | S | * | * | trans | -130.3 | 121.1 | 164 | -69.4 | 175.2 | -29 | 0 | 0 | 108 | P1436 | P1436-Q1438 PolarHBondContact O-N 2.78Š| ||
| 1439 | V | 36.1 | Very low | 42.9 | Very low | 96 Ų | 96 | 118.2 Ų | 118.2 | 58% | 0.582 | 61% | 0.611 | S | S | * | * | trans | -104.1 | 100.1 | 163.3 | 177.2 | 0 | 0 | 0 | 0 | 106.2 | P1436 L1441 | P1436-V1439 HydrophobicContact CB-CG2 4.14Å; V1439-L1441 VanDerWaalsContact C-N 3.3Å; V1439-L1441 PolarHBondContact O-N 2.84Å | ||
| 1440 | E | 36.1 | Very low | 44.4 | Very low | 161 Ų | 161 | 118.5 Ų | 118.5 | 75% | 0.752 | 61% | 0.608 | S | S | * | * | trans | -69.1 | 92.2 | 168.4 | -71.9 | -147.2 | 110.5 | 0 | 0 | 109.1 | T1442 | E1440-T1442 PolarHBondContact O-N 3.47Š| ||
| 1441 | L | 40.8 | Very low | 45.6 | Very low | 57 Ų | 57 | 115.5 Ų | 115.5 | 30% | 0.298 | 59% | 0.593 | S | S | . | * | trans | -54.1 | 112.7 | 168.1 | -68.2 | 167.3 | 0 | 0 | 0 | 108.2 | V1439 E1445 R1446 V1449 | V1439-L1441 VanDerWaalsContact C-N 3.3Å; V1439-L1441 PolarHBondContact O-N 2.84Å; L1441-E1445 HydrophobicContact CB-CB 4.17Å; L1441-E1445 HydrophobicContact CD2-CB 3.85Å; L1441-R1446 HydrophobicContact CB-CG 3.52Å; L1441-R1446 HydrophobicContact CD1-CG 4.3Å; L1441-R1446 WeakPolarHBondContact O-CG 3.34Å; L1441-R1446 PolarHBondContact O-NH1 3.27Å; L1441-V1449 HydrophobicContact CD1-CG2 4.37Å; L1441-V1449 HydrophobicContact CD2-CG2 4.29Å | ||
| 1442 | T | 63.2 | Low | 46.6 | Very low | 73 Ų | 73 | 113.3 Ų | 113.3 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | trans | -57.2 | 159.8 | 172.4 | 60.6 | 0 | 0 | 0 | 0 | 110.1 | E1440 P1444 E1445 R1446 | E1440-T1442 PolarHBondContact O-N 3.47Å; T1442-P1444 VanDerWaalsContact C-N 3.33Å; T1442-P1444 WeakPolarHBondContact OG1-CG 3.47Å; T1442-E1445 VanDerWaalsContact CB-OE2 3.31Å; T1442-E1445 WeakPolarHBondContact CB-OE2 3.33Å; T1442-E1445 WeakPolarHBondContact CG2-OE2 3.3Å; T1442-E1445 PolarHBondContact N-OE2 2.78Å; T1442-E1445 PolarHBondContact O-N 2.84Å; T1442-E1445 WeakPolarHBondContact OG1-CG 3.44Å; T1442-E1445 PolarHBondContact OG1-OE2 2.97Å; T1442-R1446 PolarHBondContact O-N 2.86Å | ||
| 1443 | N | 61.9 | Low | 47.4 | Very low | 124 Ų | 124 | 107.2 Ų | 107.2 | 66% | 0.663 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -52.8 | -39.6 | 179.1 | -73.1 | -27.9 | 0 | 0 | 0 | 114.6 | N1447 | N1443-N1447 WeakPolarHBondContact O-CB 3.4Å; N1443-N1447 PolarHBondContact O-N 3.16Å; N1443-N1447 PolarHBondContact O-ND2 2.77Å |
| 1444 | P | 59.1 | Low | 48.2 | Very low | 86 Ų | 86 | 106.2 Ų | 106.2 | 56% | 0.558 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.5 | -39.2 | 169.9 | 22.8 | -32.3 | 0 | 0 | 0 | 113.9 | T1442 N1447 T1448 | T1442-P1444 VanDerWaalsContact C-N 3.33Å; T1442-P1444 WeakPolarHBondContact OG1-CG 3.47Å; P1444-N1447 CarbonylContact O-C 3.34Å; P1444-N1447 PolarHBondContact O-N 3.27Å; P1444-T1448 WeakPolarHBondContact O-CB 2.94Å; P1444-T1448 PolarHBondContact O-N 2.79Å; P1444-T1448 PolarHBondContact O-OG1 2.8Å |
| 1445 | E | 55.5 | Low | 49 | Very low | 85 Ų | 85 | 104.4 Ų | 104.4 | 40% | 0.397 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 176.9 | -68.5 | 167.9 | 117.6 | 0 | 0 | 112.2 | L1441 T1442 N1447 T1448 V1449 | L1441-E1445 HydrophobicContact CB-CB 4.17Å; L1441-E1445 HydrophobicContact CD2-CB 3.85Å; T1442-E1445 VanDerWaalsContact CB-OE2 3.31Å; T1442-E1445 WeakPolarHBondContact CB-OE2 3.33Å; T1442-E1445 WeakPolarHBondContact CG2-OE2 3.3Å; T1442-E1445 PolarHBondContact N-OE2 2.78Å; T1442-E1445 PolarHBondContact O-N 2.84Å; T1442-E1445 WeakPolarHBondContact OG1-CG 3.44Å; T1442-E1445 PolarHBondContact OG1-OE2 2.97Å; E1445-N1447 VanDerWaalsContact C-N 3.31Å; E1445-N1447 PolarHBondContact O-N 2.86Å; E1445-T1448 PolarHBondContact O-N 2.92Å; E1445-T1448 VanDerWaalsContact O-N 3.14Å; E1445-V1449 WeakPolarHBondContact O-CG2 3.48Å; E1445-V1449 PolarHBondContact O-N 3.12Å |
| 1446 | R | 61.2 | Low | 49.7 | Very low | 118 Ų | 118 | 100.8 Ų | 100.8 | 45% | 0.445 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.6 | -45.6 | 170.5 | -76.5 | -174.1 | 169.4 | 109.9 | -13.2 | 110.7 | L1441 T1442 T1448 L1450 | L1441-R1446 HydrophobicContact CB-CG 3.52Å; L1441-R1446 HydrophobicContact CD1-CG 4.3Å; L1441-R1446 WeakPolarHBondContact O-CG 3.34Å; L1441-R1446 PolarHBondContact O-NH1 3.27Å; T1442-R1446 PolarHBondContact O-N 2.86Å; R1446-T1448 VanDerWaalsContact C-N 3.32Å; R1446-T1448 PolarHBondContact O-N 3.18Å; R1446-L1450 VanDerWaalsContact O-CB 3.32Å; R1446-L1450 WeakPolarHBondContact O-CB 3.32Å; R1446-L1450 WeakPolarHBondContact O-CG 3.44Å; R1446-L1450 PolarHBondContact O-N 3.21Å |
| 1447 | N | 63.1 | Low | 49.8 | Very low | 101 Ų | 101 | 103.5 Ų | 103.5 | 54% | 0.54 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -35 | 175.6 | -90.2 | -38 | 0 | 0 | 0 | 112.8 | N1443 P1444 E1445 L1450 K1451 | N1443-N1447 WeakPolarHBondContact O-CB 3.4Å; N1443-N1447 PolarHBondContact O-N 3.16Å; N1443-N1447 PolarHBondContact O-ND2 2.77Å; P1444-N1447 CarbonylContact O-C 3.34Å; P1444-N1447 PolarHBondContact O-N 3.27Å; E1445-N1447 VanDerWaalsContact C-N 3.31Å; E1445-N1447 PolarHBondContact O-N 2.86Å; N1447-L1450 PolarHBondContact O-N 2.62Å; N1447-K1451 WeakPolarHBondContact O-CB 3.41Å; N1447-K1451 WeakPolarHBondContact O-CG 3.47Å; N1447-K1451 PolarHBondContact O-N 2.77Å |
| 1448 | T | 55.9 | Low | 49.9 | Very low | 53 Ų | 53 | 101.8 Ų | 101.8 | 33% | 0.325 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.9 | -46 | 177.8 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | P1444 E1445 R1446 L1450 K1451 V1452 | P1444-T1448 WeakPolarHBondContact O-CB 2.94Å; P1444-T1448 PolarHBondContact O-N 2.79Å; P1444-T1448 PolarHBondContact O-OG1 2.8Å; E1445-T1448 PolarHBondContact O-N 2.92Å; E1445-T1448 VanDerWaalsContact O-N 3.14Å; R1446-T1448 VanDerWaalsContact C-N 3.32Å; R1446-T1448 PolarHBondContact O-N 3.18Å; T1448-L1450 VanDerWaalsContact C-N 3.28Å; T1448-L1450 PolarHBondContact O-N 3.49Å; T1448-K1451 WeakPolarHBondContact O-CB 3.46Å; T1448-K1451 PolarHBondContact O-N 2.79Å; T1448-K1451 VanDerWaalsContact O-N 3.15Å; T1448-V1452 WeakPolarHBondContact O-CG2 3.49Å; T1448-V1452 PolarHBondContact O-N 2.83Å |
| 1449 | V | 57.1 | Low | 50.1 | Low | 66 Ų | 66 | 100.4 Ų | 100.4 | 40% | 0.4 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.6 | -40.4 | 171.4 | 171.9 | 0 | 0 | 0 | 0 | 111 | L1441 E1445 L1453 | L1441-V1449 HydrophobicContact CD1-CG2 4.37Å; L1441-V1449 HydrophobicContact CD2-CG2 4.29Å; E1445-V1449 WeakPolarHBondContact O-CG2 3.48Å; E1445-V1449 PolarHBondContact O-N 3.12Å; V1449-L1453 HydrophobicContact CG1-CD1 3.95Å; V1449-L1453 VanDerWaalsContact O-CB 3.3Å; V1449-L1453 WeakPolarHBondContact O-CB 3.23Å; V1449-L1453 VanDerWaalsContact O-CG 3.28Å; V1449-L1453 WeakPolarHBondContact O-CG 3.48Å; V1449-L1453 PolarHBondContact O-N 3.23Å |
| 1450 | L | 59.4 | Low | 49.9 | Very low | 104 Ų | 104 | 100.1 Ų | 100.1 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.5 | -38 | 174.7 | -73.7 | 169.5 | 0 | 0 | 0 | 113.1 | R1446 N1447 T1448 L1453 K1454 | R1446-L1450 VanDerWaalsContact O-CB 3.32Å; R1446-L1450 WeakPolarHBondContact O-CB 3.32Å; R1446-L1450 WeakPolarHBondContact O-CG 3.44Å; R1446-L1450 PolarHBondContact O-N 3.21Å; N1447-L1450 PolarHBondContact O-N 2.62Å; T1448-L1450 VanDerWaalsContact C-N 3.28Å; T1448-L1450 PolarHBondContact O-N 3.49Å; L1450-L1453 PolarHBondContact O-N 3.03Å; L1450-K1454 WeakPolarHBondContact O-CB 3.41Å; L1450-K1454 PolarHBondContact O-N 2.9Å |
| 1451 | K | 57.3 | Low | 49.6 | Very low | 117 Ų | 117 | 98.4 Ų | 98.4 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 172.8 | -83.8 | -176 | 173.2 | -167.4 | 0 | 111 | N699 N1447 T1448 K1454 L1455 | N699-K1451 PolarHBondContact OD1-NZ 3.09Å; N1447-K1451 WeakPolarHBondContact O-CB 3.41Å; N1447-K1451 WeakPolarHBondContact O-CG 3.47Å; N1447-K1451 PolarHBondContact O-N 2.77Å; T1448-K1451 WeakPolarHBondContact O-CB 3.46Å; T1448-K1451 PolarHBondContact O-N 2.79Å; T1448-K1451 VanDerWaalsContact O-N 3.15Å; K1451-K1454 WeakPolarHBondContact O-CA 3.45Å; K1451-K1454 VanDerWaalsContact O-CB 3.32Å; K1451-K1454 WeakPolarHBondContact O-CB 3.32Å; K1451-K1454 PolarHBondContact O-N 3.26Å; K1451-K1454 VanDerWaalsContact O-N 3.1Å; K1451-L1455 PolarHBondContact O-N 3.41Å |
| 1452 | V | 49.9 | Very low | 49.2 | Very low | 68 Ų | 68 | 101.2 Ų | 101.2 | 41% | 0.412 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.7 | 174 | 0 | 0 | 0 | 0 | 110.9 | T1448 K1454 L1455 V1456 | T1448-V1452 WeakPolarHBondContact O-CG2 3.49Å; T1448-V1452 PolarHBondContact O-N 2.83Å; V1452-K1454 VanDerWaalsContact C-N 3.28Å; V1452-K1454 PolarHBondContact O-N 3.44Å; V1452-L1455 PolarHBondContact O-N 2.95Å; V1452-V1456 HydrophobicContact CG1-CG2 4.5Å; V1452-V1456 WeakPolarHBondContact O-CB 3.47Å; V1452-V1456 WeakPolarHBondContact O-CG2 3.31Å; V1452-V1456 PolarHBondContact O-N 3.42Å |
| 1453 | L | 47.2 | Very low | 47.8 | Very low | 77 Ų | 77 | 104.1 Ų | 104.1 | 40% | 0.403 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.7 | -28.8 | 173.1 | -75.7 | 170.3 | 0 | 0 | 0 | 113.1 | V1449 L1450 K1457 | V1449-L1453 HydrophobicContact CG1-CD1 3.95Å; V1449-L1453 VanDerWaalsContact O-CB 3.3Å; V1449-L1453 WeakPolarHBondContact O-CB 3.23Å; V1449-L1453 VanDerWaalsContact O-CG 3.28Å; V1449-L1453 WeakPolarHBondContact O-CG 3.48Å; V1449-L1453 PolarHBondContact O-N 3.23Å; L1450-L1453 PolarHBondContact O-N 3.03Å; L1453-K1457 VanDerWaalsContact O-CB 3.28Å; L1453-K1457 WeakPolarHBondContact O-CB 3.38Å; L1453-K1457 WeakPolarHBondContact O-CG 3.19Å; L1453-K1457 PolarHBondContact O-N 2.9Å; L1453-K1457 VanDerWaalsContact O-N 3.07Å |
| 1454 | K | 48 | Very low | 46.2 | Very low | 148 Ų | 148 | 106.9 Ų | 106.9 | 64% | 0.643 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68 | -51.4 | 170.8 | -118.8 | 179.5 | 178.1 | -179.5 | 0 | 110.3 | L1450 K1451 V1452 V1456 K1457 L1458 | L1450-K1454 WeakPolarHBondContact O-CB 3.41Å; L1450-K1454 PolarHBondContact O-N 2.9Å; K1451-K1454 WeakPolarHBondContact O-CA 3.45Å; K1451-K1454 VanDerWaalsContact O-CB 3.32Å; K1451-K1454 WeakPolarHBondContact O-CB 3.32Å; K1451-K1454 PolarHBondContact O-N 3.26Å; K1451-K1454 VanDerWaalsContact O-N 3.1Å; V1452-K1454 VanDerWaalsContact C-N 3.28Å; V1452-K1454 PolarHBondContact O-N 3.44Å; K1454-V1456 VanDerWaalsContact C-N 3.31Å; K1454-V1456 PolarHBondContact O-N 3.17Å; K1454-K1457 CarbonylContact O-C 3.53Å; K1454-K1457 PolarHBondContact O-N 3.44Å; K1454-L1458 HydrophobicContact CB-CD1 4.35Å; K1454-L1458 HydrophobicContact CG-CD1 4.44Å; K1454-L1458 WeakPolarHBondContact O-CB 3.24Å; K1454-L1458 WeakPolarHBondContact O-CG 3.32Å; K1454-L1458 PolarHBondContact O-N 2.87Å |
| 1455 | L | 45.6 | Very low | 44.9 | Very low | 87 Ų | 87 | 111 Ų | 111 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -55.1 | -45.4 | 176.7 | -75.4 | 162.8 | 0 | 0 | 0 | 111.8 | K1451 V1452 K1457 L1458 H1459 | K1451-L1455 PolarHBondContact O-N 3.41Å; V1452-L1455 PolarHBondContact O-N 2.95Å; L1455-K1457 VanDerWaalsContact C-N 3.31Å; L1455-K1457 PolarHBondContact O-N 3.42Å; L1455-L1458 PolarHBondContact O-N 3.4Å; L1455-H1459 PolarHBondContact O-ND1 2.85Å |
| 1456 | V | 41.7 | Very low | 43.8 | Very low | 73 Ų | 73 | 112.6 Ų | 112.6 | 44% | 0.442 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70 | -22.3 | 177.3 | 172.8 | 0 | 0 | 0 | 0 | 113.3 | V1452 K1454 I1460 | V1452-V1456 HydrophobicContact CG1-CG2 4.5Å; V1452-V1456 WeakPolarHBondContact O-CB 3.47Å; V1452-V1456 WeakPolarHBondContact O-CG2 3.31Å; V1452-V1456 PolarHBondContact O-N 3.42Å; K1454-V1456 VanDerWaalsContact C-N 3.31Å; K1454-V1456 PolarHBondContact O-N 3.17Å; V1456-I1460 WeakPolarHBondContact O-CD1 3.16Å; V1456-I1460 WeakPolarHBondContact O-CG1 3.47Å |
| 1457 | K | 37.4 | Very low | 42.5 | Very low | 142 Ų | 142 | 113 Ų | 113 | 62% | 0.617 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -89.2 | -33.2 | 174.1 | -77.9 | 175.2 | 178.5 | -177.2 | 0 | 113.3 | L1453 K1454 L1455 H1459 I1460 | L1453-K1457 VanDerWaalsContact O-CB 3.28Å; L1453-K1457 WeakPolarHBondContact O-CB 3.38Å; L1453-K1457 WeakPolarHBondContact O-CG 3.19Å; L1453-K1457 PolarHBondContact O-N 2.9Å; L1453-K1457 VanDerWaalsContact O-N 3.07Å; K1454-K1457 CarbonylContact O-C 3.53Å; K1454-K1457 PolarHBondContact O-N 3.44Å; L1455-K1457 VanDerWaalsContact C-N 3.31Å; L1455-K1457 PolarHBondContact O-N 3.42Å; K1457-H1459 VanDerWaalsContact C-N 3.25Å; K1457-H1459 PolarHBondContact O-N 2.94Å; K1457-I1460 PolarHBondContact O-N 3.25Å |
| 1458 | L | 37.9 | Very low | 40.9 | Very low | 129 Ų | 129 | 114.8 Ų | 114.8 | 68% | 0.675 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.3 | -22.3 | -177 | -74.9 | 164.3 | 0 | 0 | 0 | 113 | K1454 L1455 | K1454-L1458 HydrophobicContact CB-CD1 4.35Å; K1454-L1458 HydrophobicContact CG-CD1 4.44Å; K1454-L1458 WeakPolarHBondContact O-CB 3.24Å; K1454-L1458 WeakPolarHBondContact O-CG 3.32Å; K1454-L1458 PolarHBondContact O-N 2.87Å; L1455-L1458 PolarHBondContact O-N 3.4Å |
| 1459 | H | 38.3 | Very low | 39.7 | Very low | 143 Ų | 143 | 116.6 Ų | 116.6 | 66% | 0.662 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 18.3 | -180 | -64.3 | 90.2 | 0 | 0 | 0 | 114.2 | L1455 K1457 | L1455-H1459 PolarHBondContact O-ND1 2.85Å; K1457-H1459 VanDerWaalsContact C-N 3.25Å; K1457-H1459 PolarHBondContact O-N 2.94Å |
| 1460 | I | 31.7 | Very low | 38.4 | Very low | 90 Ų | 90 | 116.5 Ų | 116.5 | 46% | 0.462 | 65% | 0.652 | S | S | . | * | trans | -134.7 | 98.1 | 178.4 | -43.8 | 178.4 | 0 | 0 | 0 | 111.5 | V1456 K1457 V1462 | V1456-I1460 WeakPolarHBondContact O-CD1 3.16Å; V1456-I1460 WeakPolarHBondContact O-CG1 3.47Å; K1457-I1460 PolarHBondContact O-N 3.25Å; I1460-V1462 HydrophobicContact CG2-CG2 3.67Å; I1460-V1462 PolarHBondContact O-N 3.13Å | ||
| 1461 | P | 29.8 | Very low | 36.9 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 81% | 0.812 | 67% | 0.672 | S | S | * | * | trans | -73.5 | 108.2 | 171 | 29.8 | -32.2 | 0 | 0 | 0 | 110.3 | ||||
| 1462 | V | 33 | Very low | 35.8 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 71% | 0.709 | 69% | 0.687 | S | S | * | * | trans | -120.8 | 85.5 | 170.1 | -169.4 | 0 | 0 | 0 | 0 | 108.8 | I1460 | I1460-V1462 HydrophobicContact CG2-CG2 3.67Å; I1460-V1462 PolarHBondContact O-N 3.13Å | ||
| 1463 | N | 32.6 | Very low | 34.9 | Very low | 133 Ų | 133 | 127.2 Ų | 127.2 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | trans | -100.2 | 136.3 | -176.3 | -149 | -4.1 | 0 | 0 | 0 | 111 | ||||
| 1464 | K | 29.5 | Very low | 34.2 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | trans | 71.3 | 145.9 | 163.2 | -63.9 | 172.6 | -176.1 | -177.9 | 0 | 120 | ||||
| 1465 | Q | 30.5 | Very low | 33.2 | Very low | 172 Ų | 172 | 129.4 Ų | 129.4 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 159.3 | 166.2 | -59.4 | 131.7 | -53.3 | 0 | 0 | 110.3 | ||
| 1466 | P | 32.5 | Very low | 32.6 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 136 | 160.9 | 30.2 | -33.6 | 0 | 0 | 0 | 109.9 | ||
| 1467 | P | 34.2 | Very low | 32.1 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -77 | 133.3 | -179.3 | 30 | -33.8 | 0 | 0 | 0 | 112 | G1469 | P1467-G1469 PolarHBondContact O-N 3.14Š|
| 1468 | T | 29.2 | Very low | 31.7 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 119.7 | 169.3 | 46.6 | 0 | 0 | 0 | 0 | 110.4 | G1470 | T1468-G1470 VanDerWaalsContact C-N 3.28Å; T1468-G1470 PolarHBondContact O-N 3.03Å |
| 1469 | G | 31.3 | Very low | 31.4 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 94% | 0.938 | 79% | 0.786 | S | S | * | * | trans | -72.4 | 69.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1467 | P1467-G1469 PolarHBondContact O-N 3.14Š| ||
| 1470 | G | 29.3 | Very low | 30.9 | Very low | 63 Ų | 63 | 135.8 Ų | 135.8 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | trans | -81.4 | 154.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1468 | T1468-G1470 VanDerWaalsContact C-N 3.28Å; T1468-G1470 PolarHBondContact O-N 3.03Å | ||
| 1471 | K | 27.9 | Very low | 30.5 | Very low | 222 Ų | 222 | 135.9 Ų | 135.9 | 97% | 0.965 | 80% | 0.798 | S | S | * | * | trans | -56.7 | 137.7 | -177.5 | -59.7 | 178.7 | -178.9 | 179.2 | 0 | 111.8 | ||||
| 1472 | A | 33.4 | Very low | 30.3 | Very low | 99 Ų | 99 | 139 Ų | 139 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -137.2 | 144.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1473 | E | 32.5 | Very low | 30 | Very low | 194 Ų | 194 | 137.7 Ų | 137.7 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | trans | -95.5 | 174.3 | -170.7 | -67.5 | 170.6 | 146.4 | 0 | 0 | 112.4 | ||||
| 1474 | T | 30.9 | Very low | 29.7 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -68.6 | 139.6 | -165.8 | 43 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1475 | P | 29 | Very low | 29.5 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -92.6 | 145.2 | 176.7 | 36.2 | -33.8 | 0 | 0 | 0 | 113.8 | ||||
| 1476 | S | 32.4 | Very low | 29.2 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -138.6 | 139.5 | 160.5 | 57.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1477 | S | 30.1 | Very low | 28.9 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | cis | 167.7 | 167.1 | -6.3 | 41.8 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 1478 | E | 30.8 | Very low | 28.5 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | 68 | 159.9 | 172.6 | -45.4 | -170.4 | 155 | 0 | 0 | 116.9 | ||||
| 1479 | Y | 30.9 | Very low | 28.4 | Very low | 216 Ų | 216 | 130 Ų | 130 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | -158.2 | 137.2 | -59.6 | -117.4 | -65.5 | 0 | 0 | 0 | 108 | |||||
| 1480 | C | 26.9 | Very low | 28.2 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | trans | 54.9 | 125.6 | 147.8 | -132.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1481 | S | 24.9 | Very low | 28.2 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | trans | 82.2 | 125.1 | 134 | 34.9 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1482 | F | 24.9 | Very low | 28.2 | Very low | 191 Ų | 191 | 127.5 Ų | 127.5 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | 62.6 | 111.6 | 139.5 | -67.2 | -64.3 | 0 | 0 | 0 | 123.3 | ||||
| 1483 | S | 25.3 | Very low | 28 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | trans | 10.2 | 124.4 | 136.1 | 55.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1484 | N | 26.9 | Very low | 27.8 | Very low | 150 Ų | 150 | 125.1 Ų | 125.1 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | -167.9 | 164 | 73.8 | -109.8 | -27.4 | 0 | 0 | 0 | 115.3 | |||||
| 1485 | S | 25.8 | Very low | 27.7 | Very low | 99 Ų | 99 | 123.8 Ų | 123.8 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | trans | 57.7 | 119.7 | 146.2 | 64.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 1486 | V | 25.2 | Very low | 27.8 | Very low | 128 Ų | 128 | 123 Ų | 123 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | 92.5 | 113.4 | 120.5 | 166.9 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1487 | T | 25.3 | Very low | 27.8 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | trans | 68.5 | 113.1 | 147.9 | 55 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1488 | S | 25.7 | Very low | 27.8 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | 75.1 | 125.9 | 118.5 | 73.3 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 1489 | S | 26.7 | Very low | 27.8 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | 70.9 | 138.2 | 134.5 | 63.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1490 | G | 27.7 | Very low | 27.7 | Very low | 69 Ų | 69 | 120.9 Ų | 120.9 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | trans | 138.4 | 78 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1491 | I | 29 | Very low | 27.7 | Very low | 151 Ų | 151 | 120 Ų | 120 | 77% | 0.774 | 74% | 0.741 | S | S | * | * | 91 | 120.5 | 65.6 | -69.5 | 172.1 | 0 | 0 | 0 | 113.5 | |||||
| 1492 | S | 27.9 | Very low | 27.8 | Very low | 104 Ų | 104 | 123 Ų | 123 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 72.2 | 157.3 | 160.5 | -68.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 1493 | S | 28.6 | Very low | 28 | Very low | 99 Ų | 99 | 118 Ų | 118 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | cis | -154.3 | 143.3 | 14.4 | 8.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1494 | L | 28.9 | Very low | 28.1 | Very low | 144 Ų | 144 | 120 Ų | 120 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | 46.1 | 148.6 | 131.6 | -73.8 | 89.9 | 0 | 0 | 0 | 122 | ||||
| 1495 | T | 29.7 | Very low | 28.2 | Very low | 111 Ų | 111 | 118.6 Ų | 118.6 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | cis | -160.6 | 151.1 | -12 | 11.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1496 | T | 29.3 | Very low | 28.3 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | trans | -10.7 | 153 | 149.7 | 59.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1497 | K | 32.9 | Very low | 28.4 | Very low | 207 Ų | 207 | 121 Ų | 121 | 90% | 0.9 | 75% | 0.751 | S | S | * | * | -162.5 | 163.9 | 106.2 | -104.6 | 171.5 | -174.7 | 178.2 | 0 | 113.7 | |||||
| 1498 | S | 30.3 | Very low | 28.5 | Very low | 122 Ų | 122 | 119.8 Ų | 119.8 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | trans | -149.8 | 162.8 | -164.7 | 54 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1499 | G | 31.2 | Very low | 28.6 | Very low | 67 Ų | 67 | 121.7 Ų | 121.7 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | trans | 178.9 | 111.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1500 | N | 28.6 | Very low | 28.6 | Very low | 160 Ų | 160 | 124.3 Ų | 124.3 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | 43.8 | 152 | 125.4 | -62.4 | 12.9 | 0 | 0 | 0 | 122.2 | |||||
| 1501 | S | 27.2 | Very low | 28.6 | Very low | 88 Ų | 88 | 126.3 Ų | 126.3 | 62% | 0.615 | 74% | 0.743 | S | S | * | * | cis | 177.6 | 175.3 | -16.5 | 55.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1502 | L | 26.8 | Very low | 28.5 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | trans | 71.1 | 136.1 | 173.3 | -83.9 | 55.4 | 0 | 0 | 0 | 115.3 | ||||
| 1503 | A | 28.7 | Very low | 28.6 | Very low | 86 Ų | 86 | 127.8 Ų | 127.8 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | cis | 82.2 | 144.1 | 30.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1504 | T | 27 | Very low | 28.6 | Very low | 131 Ų | 131 | 131 Ų | 131 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | cis | -155 | 177.9 | 16.4 | -37.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1505 | V | 30.2 | Very low | 28.7 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | trans | 147.5 | 117.7 | 135.4 | 168.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1506 | E | 26.7 | Very low | 28.8 | Very low | 178 Ų | 178 | 129.6 Ų | 129.6 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | 24.7 | 152 | 136.5 | -59.3 | -177.5 | 161.5 | 0 | 0 | 123.2 | ||||
| 1507 | S | 27.8 | Very low | 28.7 | Very low | 99 Ų | 99 | 129 Ų | 129 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | cis | -169.3 | -176.7 | -11.5 | 60.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1508 | S | 27.8 | Very low | 28.5 | Very low | 93 Ų | 93 | 126.8 Ų | 126.8 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | trans | 101.6 | 91.5 | 143.8 | -67.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1509 | M | 27.2 | Very low | 28.5 | Very low | 139 Ų | 139 | 128.7 Ų | 128.7 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | 88.8 | 112.5 | 119 | -61.3 | -147.2 | -169.4 | 0 | 0 | 124.1 | |||||
| 1510 | K | 26.4 | Very low | 28.5 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 74% | 0.735 | 75% | 0.745 | S | S | * | * | 74.5 | 143.9 | 129.2 | -63.9 | 173.5 | -177.6 | 163.8 | 0 | 118.3 | |||||
| 1511 | T | 28.4 | Very low | 28.6 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | cis | -160.8 | 139 | 1.9 | 3.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1512 | K | 26.2 | Very low | 29.1 | Very low | 190 Ų | 190 | 137.8 Ų | 137.8 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | 51.1 | 150.6 | 144.1 | -68.8 | 177.9 | 178.8 | -173.3 | 0 | 119.9 | ||||
| 1513 | S | 30.5 | Very low | 29.5 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | cis | -152.1 | 149.7 | 19.8 | 49.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1514 | H | 28.1 | Very low | 29.8 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | 24.1 | 140.1 | 140.7 | -56.2 | -70.4 | 0 | 0 | 0 | 120.9 | ||||
| 1515 | S | 30.8 | Very low | 30.2 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | cis | -165.4 | -177.2 | 1.4 | 47.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1516 | S | 32.7 | Very low | 30.4 | Very low | 115 Ų | 115 | 136 Ų | 136 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | cis | -145.6 | -165.4 | 10.3 | 63.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1517 | D | 26.9 | Very low | 30.9 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 56% | 0.556 | 72% | 0.716 | S | S | * | * | trans | -151.5 | 140.4 | 178.5 | -128.7 | -39.7 | 0 | 0 | 0 | 107.3 | K1520 | D1517-K1520 WeakPolarHBondContact OD1-CE 3.42Å; D1517-K1520 IonicContact OD1-NZ 3.69Å; D1517-K1520 PolarHBondContact OD1-NZ 3.45Å; D1517-K1520 IonicContact OD2-NZ 3.87Å; D1517-K1520 PolarHBondContact OD2-NZ 2.82Å | ||
| 1518 | D | 29 | Very low | 31.4 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | trans | -168.1 | 109.1 | 161.7 | -111.5 | -30.7 | 0 | 0 | 0 | 112.7 | ||||
| 1519 | L | 30.9 | Very low | 31.8 | Very low | 161 Ų | 161 | 131.8 Ų | 131.8 | 84% | 0.843 | 69% | 0.691 | S | S | * | * | trans | 167.5 | 1.1 | 160.8 | -103.8 | 161.4 | 0 | 0 | 0 | 115.2 | Q1521 | L1519-Q1521 VanDerWaalsContact C-N 3.29Å; L1519-Q1521 PolarHBondContact O-N 3.26Å | ||
| 1520 | K | 30.2 | Very low | 32.2 | Very low | 167 Ų | 167 | 130.7 Ų | 130.7 | 73% | 0.726 | 69% | 0.688 | S | S | * | * | trans | -75.4 | 18 | -165.8 | -72.7 | 167.7 | 173.3 | 155.2 | 0 | 117.4 | D1517 | D1517-K1520 WeakPolarHBondContact OD1-CE 3.42Å; D1517-K1520 IonicContact OD1-NZ 3.69Å; D1517-K1520 PolarHBondContact OD1-NZ 3.45Å; D1517-K1520 IonicContact OD2-NZ 3.87Å; D1517-K1520 PolarHBondContact OD2-NZ 2.82Å | ||
| 1521 | Q | 32 | Very low | 32.6 | Very low | 184 Ų | 184 | 126.8 Ų | 126.8 | 86% | 0.86 | 68% | 0.679 | S | S | * | * | trans | -111.4 | 6.5 | -159.3 | -74.7 | -166.2 | -2.6 | 0 | 0 | 119.2 | L1519 | L1519-Q1521 VanDerWaalsContact C-N 3.29Å; L1519-Q1521 PolarHBondContact O-N 3.26Å | ||
| 1522 | L | 36.7 | Very low | 32.9 | Very low | 156 Ų | 156 | 125.7 Ų | 125.7 | 82% | 0.817 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -121.2 | -1.4 | -166.2 | -71.9 | 176.9 | 0 | 0 | 0 | 119.5 | ||
| 1523 | L | 34.7 | Very low | 33.2 | Very low | 149 Ų | 149 | 124.3 Ų | 124.3 | 78% | 0.78 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -143.6 | 152.3 | 179 | -74.6 | 175.6 | 0 | 0 | 0 | 113.2 | ||
| 1524 | S | 35.7 | Very low | 33.2 | Very low | 43 Ų | 43 | 124 Ų | 124 | 30% | 0.301 | 66% | 0.656 | S | S | . | * | trans | -76.9 | 155.5 | -176.1 | 81.5 | 0 | 0 | 0 | 0 | 113.3 | E1526 E1527 | S1524-E1526 PolarHBondContact O-N 3.12Å; S1524-E1527 WeakPolarHBondContact CB-OE2 3.41Å; S1524-E1527 WeakPolarHBondContact OG-CG 3.41Å; S1524-E1527 PolarHBondContact OG-OE2 3.4Å | ||
| 1525 | P | 35.7 | Very low | 33.2 | Very low | 104 Ų | 104 | 121.8 Ų | 121.8 | 68% | 0.675 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -66.2 | -34 | -178.4 | -22.9 | 34.9 | 0 | 0 | 0 | 114.7 | L1528 | P1525-L1528 WeakPolarHBondContact O-CB 3.44Å |
| 1526 | E | 34.8 | Very low | 32.9 | Very low | 161 Ų | 161 | 122.3 Ų | 122.3 | 75% | 0.752 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -81.4 | -40.2 | -169 | -59.6 | -172.1 | 137.9 | 0 | 0 | 112.4 | S1524 L1528 D1529 N1530 | S1524-E1526 PolarHBondContact O-N 3.12Å; E1526-L1528 PolarHBondContact O-N 3Å; E1526-D1529 PolarHBondContact O-N 2.83Å; E1526-D1529 VanDerWaalsContact O-N 3.16Å; E1526-N1530 PolarHBondContact O-N 3.26Å |
| 1527 | E | 37.1 | Very low | 32.5 | Very low | 124 Ų | 124 | 121.8 Ų | 121.8 | 58% | 0.579 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -60.8 | -36.3 | 172.7 | -65.3 | 172 | 113.8 | 0 | 0 | 111.2 | S1524 D1529 V1531 | S1524-E1527 WeakPolarHBondContact CB-OE2 3.41Å; S1524-E1527 WeakPolarHBondContact OG-CG 3.41Å; S1524-E1527 PolarHBondContact OG-OE2 3.4Å; E1527-D1529 PolarHBondContact O-N 2.89Å; E1527-V1531 PolarHBondContact O-N 3.27Å |
| 1528 | L | 38 | Very low | 32.5 | Very low | 86 Ų | 86 | 122 Ų | 122 | 45% | 0.45 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -64.3 | -27.8 | 178.8 | -159.1 | 71.8 | 0 | 0 | 0 | 112.5 | P1525 E1526 K1532 | P1525-L1528 WeakPolarHBondContact O-CB 3.44Å; E1526-L1528 PolarHBondContact O-N 3Å; L1528-K1532 VanDerWaalsContact O-CE 3.22Å; L1528-K1532 WeakPolarHBondContact O-CE 3.47Å; L1528-K1532 VanDerWaalsContact O-CG 3.24Å; L1528-K1532 WeakPolarHBondContact O-CG 3.26Å; L1528-K1532 PolarHBondContact O-N 3.31Å |
| 1529 | D | 36.6 | Very low | 32.5 | Very low | 70 Ų | 70 | 121.9 Ų | 121.9 | 37% | 0.374 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -84.5 | -34.7 | -176.9 | -118.2 | 45.8 | 0 | 0 | 0 | 113.4 | E1526 E1527 V1531 K1532 K1533 | E1526-D1529 PolarHBondContact O-N 2.83Å; E1526-D1529 VanDerWaalsContact O-N 3.16Å; E1527-D1529 PolarHBondContact O-N 2.89Å; D1529-V1531 VanDerWaalsContact C-N 3.33Å; D1529-K1532 PolarHBondContact O-N 3.2Å; D1529-K1532 WeakPolarHBondContact OD1-CD 3.42Å; D1529-K1532 WeakPolarHBondContact OD1-CE 3.36Å; D1529-K1532 IonicContact OD1-NZ 2.7Å; D1529-K1532 PolarHBondContact OD1-NZ 3.25Å; D1529-K1533 PolarHBondContact O-N 2.96Å |
| 1530 | N | 34.4 | Very low | 32.3 | Very low | 116 Ų | 116 | 121.3 Ų | 121.3 | 62% | 0.62 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.7 | -32.9 | 174.4 | -72.9 | -38.4 | 0 | 0 | 0 | 112.1 | E1526 | E1526-N1530 PolarHBondContact O-N 3.26Å |
| 1531 | V | 36.3 | Very low | 32.2 | Very low | 87 Ų | 87 | 118.2 Ų | 118.2 | 53% | 0.527 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -71 | -36 | 171.9 | 178.7 | 0 | 0 | 0 | 0 | 112 | E1527 D1529 K1533 S1534 L1535 | E1527-V1531 PolarHBondContact O-N 3.27Å; D1529-V1531 VanDerWaalsContact C-N 3.33Å; V1531-K1533 VanDerWaalsContact C-N 3.33Å; V1531-K1533 PolarHBondContact O-N 3.27Å; V1531-S1534 PolarHBondContact O-N 3.49Å; V1531-S1534 PolarHBondContact O-OG 3.14Å; V1531-L1535 HydrophobicContact CG1-CD1 4.04Å |
| 1532 | K | 33.8 | Very low | 32.1 | Very low | 89 Ų | 89 | 117.1 Ų | 117.1 | 39% | 0.387 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -60.1 | -39.6 | 174.8 | -74.3 | 166.3 | -145.7 | 164.6 | 0 | 112.4 | L1528 D1529 S1534 L1535 | L1528-K1532 VanDerWaalsContact O-CE 3.22Å; L1528-K1532 WeakPolarHBondContact O-CE 3.47Å; L1528-K1532 VanDerWaalsContact O-CG 3.24Å; L1528-K1532 WeakPolarHBondContact O-CG 3.26Å; L1528-K1532 PolarHBondContact O-N 3.31Å; D1529-K1532 PolarHBondContact O-N 3.2Å; D1529-K1532 WeakPolarHBondContact OD1-CD 3.42Å; D1529-K1532 WeakPolarHBondContact OD1-CE 3.36Å; D1529-K1532 IonicContact OD1-NZ 2.7Å; D1529-K1532 PolarHBondContact OD1-NZ 3.25Å; K1532-S1534 VanDerWaalsContact C-N 3.25Å; K1532-S1534 PolarHBondContact O-N 3.03Å; K1532-L1535 PolarHBondContact O-N 2.9Å |
| 1533 | K | 31.9 | Very low | 32.1 | Very low | 161 Ų | 161 | 114.7 Ų | 114.7 | 70% | 0.7 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -12.2 | -175 | -74.4 | 174.8 | -178.6 | 168 | 0 | 115 | D1529 V1531 | D1529-K1533 PolarHBondContact O-N 2.96Å; V1531-K1533 VanDerWaalsContact C-N 3.33Å; V1531-K1533 PolarHBondContact O-N 3.27Å |
| 1534 | S | 31.2 | Very low | 32.9 | Very low | 90 Ų | 90 | 108.2 Ų | 108.2 | 63% | 0.629 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 1.1 | 178.2 | 52.6 | 0 | 0 | 0 | 0 | 114.4 | V1531 K1532 | V1531-S1534 PolarHBondContact O-N 3.49Å; V1531-S1534 PolarHBondContact O-OG 3.14Å; K1532-S1534 VanDerWaalsContact C-N 3.25Å; K1532-S1534 PolarHBondContact O-N 3.03Å |
| 1535 | L | 27.7 | Very low | 34.2 | Very low | 121 Ų | 121 | 110.3 Ų | 110.3 | 63% | 0.634 | 62% | 0.616 | S | S | * | * | trans | -130 | 67 | -174.9 | -71 | 170.1 | 0 | 0 | 0 | 111.4 | V1531 K1532 C1537 | V1531-L1535 HydrophobicContact CG1-CD1 4.04Å; K1532-L1535 PolarHBondContact O-N 2.9Å; L1535-C1537 PolarHBondContact O-N 2.96Å | ||
| 1536 | S | 24.9 | Very low | 36.1 | Very low | 121 Ų | 121 | 107.9 Ų | 107.9 | 85% | 0.846 | 59% | 0.593 | S | S | * | * | trans | -78.5 | 48.3 | -174.4 | 49.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1537 | C | 23.5 | Very low | 38.1 | Very low | 103 Ų | 103 | 101.1 Ų | 101.1 | 70% | 0.696 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -151.4 | 143 | 159.9 | -94.7 | 0 | 0 | 0 | 0 | 111.5 | L1535 | L1535-C1537 PolarHBondContact O-N 2.96Š|
| 1538 | N | 26.6 | Very low | 40.3 | Very low | 108 Ų | 108 | 95.7 Ų | 95.7 | 58% | 0.578 | 54% | 0.539 | S | S | * | . | trans | 67.6 | 90.3 | 165.6 | -58.5 | 11.8 | 0 | 0 | 0 | 117.8 | ||||
| 1539 | K | 29.3 | Very low | 42.4 | Very low | 159 Ų | 159 | 93.9 Ų | 93.9 | 69% | 0.691 | 53% | 0.528 | S | S | * | . | trans | -128.7 | 117.4 | 138.2 | -73.5 | -173.6 | 176.3 | -176.9 | 0 | 107 | ||||
| 1540 | L | 27.5 | Very low | 44.7 | Very low | 148 Ų | 148 | 91.6 Ų | 91.6 | 78% | 0.775 | 52% | 0.517 | S | S | * | . | 75.5 | 90.4 | 67.8 | -77.6 | 165.5 | 0 | 0 | 0 | 113.5 | |||||
| 1541 | S | 28 | Very low | 47.2 | Very low | 102 Ų | 102 | 89 Ų | 89 | 71% | 0.713 | 50% | 0.502 | S | S | * | . | trans | -107.4 | 150 | 131.8 | 53.1 | 0 | 0 | 0 | 0 | 108 | S1543 | S1541-S1543 PolarHBondContact O-N 2.59Š| ||
| 1542 | L | 29.5 | Very low | 49.5 | Very low | 162 Ų | 162 | 86 Ų | 86 | 85% | 0.848 | 48% | 0.483 | S | S | * | . | trans | -84.9 | 95.8 | -178.3 | -81.4 | 68.7 | 0 | 0 | 0 | 109.7 | ||||
| 1543 | S | 37.3 | Very low | 51.9 | Low | 104 Ų | 104 | 84.4 Ų | 84.4 | 73% | 0.727 | 48% | 0.475 | S | S | * | . | trans | -155.6 | 131.1 | 174.2 | -52.7 | 0 | 0 | 0 | 0 | 110.3 | S1541 | S1541-S1543 PolarHBondContact O-N 2.59Š| ||
| 1544 | G | 50.6 | Low | 54 | Low | 14 Ų | 14 | 80.7 Ų | 80.7 | 14% | 0.144 | 46% | 0.457 | C | S | . | . | trans | 91.8 | 56.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | N1282 Y1546 | N1282-G1544 CarbonylContact O-C 3.54Å; N1282-G1544 VanDerWaalsContact O-CA 3.26Å; N1282-G1544 WeakPolarHBondContact O-CA 3.44Å; G1544-Y1546 PolarHBondContact O-N 3.23Å | ||
| 1545 | C | 64 | Low | 55.9 | Low | 86 Ų | 86 | 77.1 Ų | 77.1 | 58% | 0.581 | 43% | 0.432 | S | S | * | . | trans | -68 | -19.8 | 173.2 | -67 | 0 | 0 | 0 | 0 | 113.5 | N1282 A1338 | N1282-C1545 PolarHBondContact O-N 2.86Å; A1338-C1545 WeakPolarHBondContact CB-O 3.28Å; A1338-C1545 PolarHBondContact N-O 3.47Å | ||
| 1546 | Y | 74.8 | Confident | 57.8 | Low | 53 Ų | 53 | 73.5 Ų | 73.5 | 21% | 0.208 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 164.5 | -173.2 | -57.7 | -59.1 | 0 | 0 | 0 | 114.1 | R1138 N1282 C1283 S1284 K1336 E1337 G1544 | R1138-Y1546 HydrophobicContact CB-CD1 4.44Å; R1138-Y1546 HydrophobicContact CB-CE1 3.94Å; R1138-Y1546 HydrophobicContact CG-CE1 3.75Å; N1282-Y1546 HydrophobicContact CB-CD2 4.32Å; N1282-Y1546 PolarHBondContact O-N 2.62Å; N1282-Y1546 VanDerWaalsContact O-N 3.13Å; C1283-Y1546 CarbonylContact C-O 3.5Å; C1283-Y1546 WeakPolarHBondContact CA-O 3.31Å; S1284-Y1546 PolarHBondContact N-O 2.89Å; S1284-Y1546 PolarHBondContact OG-O 3.42Å; K1336-Y1546 CarbonylContact O-C 3.56Å; K1336-Y1546 WeakPolarHBondContact O-CA 3.16Å; E1337-Y1546 HydrophobicContact CG-CE1 4.31Å; G1544-Y1546 PolarHBondContact O-N 3.23Å |
| 1547 | I | 77.7 | Confident | 59.9 | Low | 20 Ų | 20 | 70.2 Ų | 70.2 | 10% | 0.103 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 124.7 | 170.9 | -68.6 | 167.3 | 0 | 0 | 0 | 106.6 | S1284 K1336 A1338 | S1284-I1547 WeakPolarHBondContact OG-CG1 3.35Å; K1336-I1547 HydrophobicContact CB-CB 4.39Å; K1336-I1547 PolarHBondContact N-O 3.15Å; K1336-I1547 PolarHBondContact O-N 2.89Å; A1338-I1547 HydrophobicContact CB-CD1 4.44Å; A1338-I1547 HydrophobicContact CB-CG1 4.42Å |
| 1548 | A | 82.3 | Confident | 62.5 | Low | 10 Ų | 10 | 68.8 Ų | 68.8 | 8% | 0.083 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 135.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1280 A1287 L1333 L1335 | I1280-A1548 HydrophobicContact CD1-CB 4.23Å; A1287-A1548 HydrophobicContact CB-CB 3.82Å; L1333-A1548 HydrophobicContact CD1-CB 4Å; L1335-A1548 HydrophobicContact CD2-CB 3.86Å |
| 1549 | E | 83.1 | Confident | 65.1 | Low | 48 Ų | 48 | 66.3 Ų | 66.3 | 22% | 0.224 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 131.6 | 173.9 | 179.6 | -179.2 | 176.7 | 0 | 0 | 109.6 | L1333 L1334 K1336 | L1333-E1549 WeakPolarHBondContact CA-O 3.35Å; L1334-E1549 HydrophobicContact CB-CB 4.35Å; L1334-E1549 PolarHBondContact N-O 3.32Å; L1334-E1549 PolarHBondContact O-N 3.3Å; K1336-E1549 WeakPolarHBondContact CE-OE2 3.45Å; K1336-E1549 IonicContact NZ-OE2 3.78Å; K1336-E1549 PolarHBondContact NZ-OE2 2.75Å |
| 1550 | V | 85.6 | Confident | 67.9 | Low | 22 Ų | 22 | 61.4 Ų | 61.4 | 13% | 0.133 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135.2 | -174.7 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | A1287 I1289 Y1331 E1332 L1333 | A1287-V1550 HydrophobicContact CB-CG2 3.95Å; I1289-V1550 HydrophobicContact CG1-CG1 4.12Å; Y1331-V1550 HydrophobicContact CD1-CG1 3.89Å; Y1331-V1550 HydrophobicContact CG-CG1 4.23Å; E1332-V1550 WeakPolarHBondContact O-CA 3.38Å; L1333-V1550 HydrophobicContact CB-CG2 4.41Å; L1333-V1550 HydrophobicContact CD1-CG2 3.65Å |
| 1551 | L | 85 | Confident | 70.8 | Confident | 62 Ų | 62 | 55.9 Ų | 55.9 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 122.5 | -174.8 | -60.1 | 172.9 | 0 | 0 | 0 | 111.8 | Y1331 E1332 L1334 | Y1331-L1551 CarbonylContact C-O 3.22Å; Y1331-L1551 VanDerWaalsContact CA-O 3.25Å; Y1331-L1551 WeakPolarHBondContact CA-O 3.48Å; E1332-L1551 PolarHBondContact N-O 2.81Å; E1332-L1551 PolarHBondContact O-N 3.46Å; L1334-L1551 HydrophobicContact CD1-CD1 4.24Å |
| 1552 | E | 85.4 | Confident | 73.8 | Confident | 23 Ų | 23 | 56.3 Ų | 56.3 | 11% | 0.107 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 133.8 | 173.2 | -168.1 | -170.9 | -152.3 | 0 | 0 | 110.8 | K1291 Y1331 R1554 | K1291-E1552 WeakPolarHBondContact CD-OE1 3.46Å; K1291-E1552 IonicContact NZ-OE1 3.19Å; K1291-E1552 PolarHBondContact NZ-OE1 2.88Å; Y1331-E1552 HydrophobicContact CD1-CB 3.97Å; Y1331-E1552 HydrophobicContact CD1-CG 4.4Å; Y1331-E1552 HydrophobicContact CE1-CB 3.72Å; Y1331-E1552 HydrophobicContact CE1-CG 3.96Å; E1552-R1554 HydrophobicContact CG-CG 4.33Å; E1552-R1554 IonicContact OE2-CZ 2.7Å; E1552-R1554 IonicContact OE2-NE 2.66Å; E1552-R1554 PolarHBondContact OE2-NE 3.24Å; E1552-R1554 IonicContact OE2-NH2 2.72Å; E1552-R1554 PolarHBondContact OE2-NH2 2.94Å |
| 1553 | K | 84.1 | Confident | 76.7 | Confident | 55 Ų | 55 | 49 Ų | 49 | 24% | 0.239 | 29% | 0.285 | C | S | . | . | trans | -110.4 | 88 | 176.2 | -57.4 | -58.5 | -176.9 | -175.3 | 0 | 110.1 | L1330 E1332 V1555 Y1586 | L1330-K1553 HydrophobicContact CB-CB 4.49Å; L1330-K1553 HydrophobicContact CD2-CB 4.28Å; L1330-K1553 HydrophobicContact CG-CB 4.11Å; L1330-K1553 PolarHBondContact O-N 3.36Å; E1332-K1553 HydrophobicContact CB-CD 4.47Å; E1332-K1553 HydrophobicContact CB-CG 4.4Å; E1332-K1553 WeakPolarHBondContact OE2-CE 3.4Å; E1332-K1553 IonicContact OE2-NZ 3.63Å; E1332-K1553 PolarHBondContact OE2-NZ 2.85Å; K1553-V1555 PolarHBondContact O-N 2.92Å; K1553-V1555 VanDerWaalsContact O-N 3.17Å; K1553-Y1586 HydrophobicContact CB-CE2 4.44Å | ||
| 1554 | R | 75.4 | Confident | 79.3 | Confident | 83 Ų | 83 | 47.4 Ų | 47.4 | 31% | 0.313 | 26% | 0.263 | S | S | . | . | trans | -66.5 | 114.4 | 174.7 | -64.8 | -168.4 | -176.6 | 166.8 | 2.2 | 110.3 | G1115 D1292 E1552 | G1115-R1554 PolarHBondContact O-NH1 3.39Å; D1292-R1554 IonicContact OD2-NH2 3.64Å; E1552-R1554 HydrophobicContact CG-CG 4.33Å; E1552-R1554 IonicContact OE2-CZ 2.7Å; E1552-R1554 IonicContact OE2-NE 2.66Å; E1552-R1554 PolarHBondContact OE2-NE 3.24Å; E1552-R1554 IonicContact OE2-NH2 2.72Å; E1552-R1554 PolarHBondContact OE2-NH2 2.94Å | ||
| 1555 | V | 72.8 | Confident | 81.2 | Confident | 16 Ų | 16 | 46.8 Ų | 46.8 | 10% | 0.097 | 26% | 0.257 | C | S | . | . | trans | -75.5 | 130 | -176.5 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | T1171 L1330 K1553 R1583 Y1586 | T1171-V1555 HydrophobicContact CG2-CG2 4.42Å; L1330-V1555 HydrophobicContact CD2-CG2 3.66Å; K1553-V1555 PolarHBondContact O-N 2.92Å; K1553-V1555 VanDerWaalsContact O-N 3.17Å; V1555-R1583 HydrophobicContact CG1-CB 3.66Å; V1555-R1583 HydrophobicContact CG1-CG 4.36Å; V1555-Y1586 HydrophobicContact CG2-CD2 4.21Å | ||
| 1556 | G | 66.2 | Low | 82.4 | Confident | 44 Ų | 44 | 43.9 Ų | 43.9 | 45% | 0.454 | 24% | 0.235 | S | C | . | . | trans | -60 | 156.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1558 R1583 | G1556-V1558 VanDerWaalsContact C-N 3.28Å; G1556-V1558 PolarHBondContact O-N 3.41Å; G1556-R1583 PolarHBondContact O-NH1 2.93Å | ||
| 1557 | C | 69.7 | Low | 83 | Confident | 52 Ų | 52 | 41.9 Ų | 41.9 | 35% | 0.351 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -68.7 | -19.8 | -177.8 | 64.1 | 0 | 0 | 0 | 0 | 114.8 | Q1112 | Q1112-C1557 PolarHBondContact OE1-SG 2.76Š|
| 1558 | V | 77.8 | Confident | 83.3 | Confident | 74 Ų | 74 | 43.8 Ų | 43.8 | 45% | 0.448 | 24% | 0.238 | S | C | . | . | trans | -90.3 | 130.7 | -171.4 | 168.7 | 0 | 0 | 0 | 0 | 112.8 | F1110 G1556 | F1110-V1558 HydrophobicContact CE2-CG2 3.92Å; F1110-V1558 HydrophobicContact CZ-CB 3.86Å; F1110-V1558 HydrophobicContact CZ-CG1 4.49Å; F1110-V1558 HydrophobicContact CZ-CG2 3.52Å; G1556-V1558 VanDerWaalsContact C-N 3.28Å; G1556-V1558 PolarHBondContact O-N 3.41Å | ||
| 1559 | V | 82.2 | Confident | 82.8 | Confident | 55 Ų | 55 | 44.2 Ų | 44.2 | 33% | 0.333 | 24% | 0.238 | S | C | . | . | trans | -99.7 | 135.6 | 176.1 | 176.6 | 0 | 0 | 0 | 0 | 109.3 | K1561 K1562 V1581 V1582 R1583 | V1559-K1561 WeakPolarHBondContact CG1-O 3.25Å; V1559-K1562 HydrophobicContact CG1-CB 4.21Å; V1559-V1581 HydrophobicContact CB-CG1 4.31Å; V1559-V1581 HydrophobicContact CG1-CG1 3.69Å; V1559-V1581 HydrophobicContact CG2-CG1 3.64Å; V1559-V1582 CarbonylContact C-O 3.56Å; V1559-V1582 WeakPolarHBondContact CA-O 3.43Å; V1559-R1583 HydrophobicContact CG2-CG 3.93Å | ||
| 1560 | S | 86.6 | Confident | 82 | Confident | 57 Ų | 57 | 46.4 Ų | 46.4 | 40% | 0.399 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -88.4 | -43.1 | 175.7 | -56.5 | 0 | 0 | 0 | 0 | 112.4 | V1582 | S1560-V1582 PolarHBondContact N-O 2.8Š|
| 1561 | K | 89.7 | Confident | 80.8 | Confident | 32 Ų | 32 | 51 Ų | 51 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 151.9 | 164.4 | -179.4 | 157.6 | 178.7 | 171.7 | 0 | 108.9 | V1559 V1582 E1643 D1646 W1647 A1650 | V1559-K1561 WeakPolarHBondContact CG1-O 3.25Å; K1561-V1582 PolarHBondContact O-N 3.38Å; K1561-E1643 WeakPolarHBondContact CE-OE2 3.39Å; K1561-E1643 IonicContact NZ-OE2 2.78Å; K1561-E1643 PolarHBondContact NZ-OE2 2.7Å; K1561-E1643 VanDerWaalsContact NZ-OE2 3.07Å; K1561-D1646 HydrophobicContact CD-CB 3.79Å; K1561-D1646 IonicContact NZ-OD2 3.52Å; K1561-D1646 PolarHBondContact NZ-OD2 3.09Å; K1561-D1646 VanDerWaalsContact NZ-OD2 3.17Å; K1561-W1647 HydrophobicContact CD-CD2 3.95Å; K1561-W1647 HydrophobicContact CD-CE3 4.29Å; K1561-W1647 HydrophobicContact CD-CG 4.25Å; K1561-W1647 HydrophobicContact CD-CZ2 4.45Å; K1561-W1647 HydrophobicContact CG-CD2 4.38Å; K1561-W1647 HydrophobicContact CG-CE3 4.28Å; K1561-W1647 HydrophobicContact CG-CH2 4.28Å; K1561-W1647 HydrophobicContact CG-CZ2 4.37Å; K1561-W1647 HydrophobicContact CG-CZ3 4.24Å; K1561-A1650 HydrophobicContact CB-CB 3.49Å; K1561-A1650 VanDerWaalsContact CB-CB 3.49Å |
| 1562 | K | 90.2 | Very high | 79.9 | Confident | 110 Ų | 110 | 51.3 Ų | 51.3 | 48% | 0.478 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 153.6 | 164.8 | 67.7 | 170.2 | -163.4 | 143.1 | 0 | 109.9 | V1559 W1579 V1580 V1581 E1593 | V1559-K1562 HydrophobicContact CG1-CB 4.21Å; K1562-W1579 HydrophobicContact CB-CZ2 4.28Å; K1562-W1579 HydrophobicContact CD-CZ2 3.83Å; K1562-W1579 HydrophobicContact CG-CZ2 4.14Å; K1562-V1580 CarbonylContact C-O 3.58Å; K1562-V1580 WeakPolarHBondContact CA-O 3.34Å; K1562-V1581 HydrophobicContact CB-CG1 4.33Å; K1562-V1581 HydrophobicContact CB-CG2 4.08Å; K1562-E1593 IonicContact NZ-OE1 2.66Å; K1562-E1593 PolarHBondContact NZ-OE1 2.8Å |
| 1563 | G | 91 | Very high | 79.1 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 9% | 0.093 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163 | -176.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | W1579 V1580 | G1563-W1579 VanDerWaalsContact CA-CZ3 3.48Å; G1563-V1580 PolarHBondContact N-O 3.2Å; G1563-V1580 PolarHBondContact O-N 2.86Å |
| 1564 | Y | 92.1 | Very high | 78.7 | Confident | 71 Ų | 71 | 59.2 Ų | 59.2 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 141.4 | 171.4 | -77.8 | -74.2 | 0 | 0 | 0 | 111 | K1577 R1578 W1579 E1593 | Y1564-K1577 HydrophobicContact CD1-CD 4.29Å; Y1564-K1577 HydrophobicContact CD1-CG 3.89Å; Y1564-K1577 VanDerWaalsContact CG-CE 3.46Å; Y1564-K1577 HydrophobicContact CG-CG 4.43Å; Y1564-R1578 WeakPolarHBondContact CA-O 3.17Å; Y1564-W1579 HydrophobicContact CD1-CB 4.35Å; Y1564-W1579 AromaticContact CD1-CE3 3.99Å; Y1564-W1579 HydrophobicContact CD1-CE3 3.99Å; Y1564-W1579 AromaticContact CD2-CE3 3.57Å; Y1564-W1579 HydrophobicContact CD2-CE3 3.57Å; Y1564-W1579 AromaticContact CD2-CZ3 3.62Å; Y1564-W1579 HydrophobicContact CD2-CZ3 3.62Å; Y1564-W1579 HydrophobicContact CE1-CB 4.16Å; Y1564-W1579 HydrophobicContact CE1-CE3 4.04Å; Y1564-W1579 AromaticContact CE2-CE3 3.6Å; Y1564-W1579 HydrophobicContact CE2-CE3 3.6Å; Y1564-W1579 AromaticContact CE2-CZ3 3.7Å; Y1564-W1579 HydrophobicContact CE2-CZ3 3.7Å; Y1564-W1579 AromaticContact CG-CE3 3.75Å; Y1564-W1579 HydrophobicContact CG-CE3 3.75Å; Y1564-W1579 HydrophobicContact CG-CZ3 4.2Å; Y1564-W1579 AromaticContact CZ-CE3 3.84Å; Y1564-E1593 PolarHBondContact OH-N 3.15Å |
| 1565 | M | 90.3 | Very high | 79 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 145.5 | 173.1 | -164.4 | 163.3 | 57.1 | 0 | 0 | 109.6 | F1567 R1578 V1580 F1625 M1636 Q1637 T1638 W1647 | M1565-F1567 HydrophobicContact CB-CE2 4.18Å; M1565-F1567 HydrophobicContact CE-CE1 4.43Å; M1565-F1567 HydrophobicContact CE-CE2 4.19Å; M1565-F1567 HydrophobicContact CE-CZ 3.72Å; M1565-R1578 PolarHBondContact N-O 3.13Å; M1565-R1578 PolarHBondContact O-N 2.87Å; M1565-V1580 HydrophobicContact CB-CG2 3.95Å; M1565-V1580 HydrophobicContact CE-CG1 4.19Å; M1565-V1580 HydrophobicContact CE-CG2 4.16Å; M1565-F1625 HydrophobicContact CE-CZ 4.47Å; M1565-F1625 HydrophobicContact SD-CE1 4.09Å; M1565-F1625 HydrophobicContact SD-CZ 3.81Å; M1565-M1636 HydrophobicContact CE-CB 4.14Å; M1565-M1636 HydrophobicContact CE-CG 4.12Å; M1565-M1636 HydrophobicContact CE-SD 3.39Å; M1565-M1636 WeakPolarHBondContact CE-SD 3.3Å; M1565-M1636 HydrophobicContact CG-CB 4.42Å; M1565-M1636 HydrophobicContact SD-CB 4.03Å; M1565-M1636 HydrophobicContact SD-SD 4.33Å; M1565-Q1637 VanDerWaalsContact CG-O 3.26Å; M1565-Q1637 WeakPolarHBondContact CG-O 3.36Å; M1565-T1638 HydrophobicContact SD-CG2 4.33Å; M1565-W1647 HydrophobicContact CE-CE3 4.41Å; M1565-W1647 HydrophobicContact SD-CD2 4.04Å; M1565-W1647 HydrophobicContact SD-CE3 4.14Å; M1565-W1647 HydrophobicContact SD-CG 4.31Å |
| 1566 | N | 88.3 | Confident | 79.5 | Confident | 25 Ų | 25 | 61.8 Ų | 61.8 | 13% | 0.134 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 138.9 | 177.8 | -59.8 | -19.1 | 0 | 0 | 0 | 109.3 | W1575 K1577 M1636 Q1637 | N1566-W1575 HydrophobicContact CB-CD2 4.46Å; N1566-W1575 HydrophobicContact CB-CE3 3.74Å; N1566-W1575 HydrophobicContact CB-CZ3 4.37Å; N1566-K1577 WeakPolarHBondContact OD1-CB 3.42Å; N1566-M1636 CarbonylContact O-C 3.53Å; N1566-M1636 WeakPolarHBondContact O-CA 3.45Å; N1566-Q1637 HydrophobicContact CB-CB 4.18Å; N1566-Q1637 PolarHBondContact N-O 2.97Å; N1566-Q1637 PolarHBondContact ND2-OE1 3.13Å; N1566-Q1637 PolarHBondContact O-N 3.07Å |
| 1567 | F | 87.1 | Confident | 80.6 | Confident | 12 Ų | 12 | 64.9 Ų | 64.9 | 5% | 0.053 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 137 | 175.5 | -67.1 | -104.8 | 0 | 0 | 0 | 109 | M1565 W1575 M1576 R1578 V1580 L1589 I1602 L1635 M1636 | M1565-F1567 HydrophobicContact CB-CE2 4.18Å; M1565-F1567 HydrophobicContact CE-CE1 4.43Å; M1565-F1567 HydrophobicContact CE-CE2 4.19Å; M1565-F1567 HydrophobicContact CE-CZ 3.72Å; F1567-W1575 VanDerWaalsContact C-CE3 3.46Å; F1567-W1575 CarbonylContact O-C 3.55Å; F1567-W1575 WeakPolarHBondContact O-CA 3.22Å; F1567-M1576 PolarHBondContact N-O 3.19Å; F1567-M1576 PolarHBondContact O-N 3.22Å; F1567-R1578 HydrophobicContact CD2-CB 4.11Å; F1567-R1578 HydrophobicContact CD2-CG 4.34Å; F1567-R1578 HydrophobicContact CE2-CB 4.06Å; F1567-V1580 HydrophobicContact CE2-CG2 3.5Å; F1567-V1580 VanDerWaalsContact CE2-CG2 3.5Å; F1567-V1580 HydrophobicContact CZ-CG2 3.66Å; F1567-L1589 HydrophobicContact CE1-CD1 4.33Å; F1567-L1589 HydrophobicContact CE1-CD2 3.94Å; F1567-L1589 HydrophobicContact CE2-CD2 4.12Å; F1567-L1589 HydrophobicContact CZ-CD1 4.47Å; F1567-L1589 HydrophobicContact CZ-CD2 3.4Å; F1567-I1602 HydrophobicContact CE1-CD1 4.49Å; F1567-L1635 WeakPolarHBondContact CA-O 3.04Å; F1567-M1636 HydrophobicContact CD1-CG 4Å; F1567-M1636 HydrophobicContact CE1-CE 3.86Å; F1567-M1636 HydrophobicContact CE1-CG 3.86Å; F1567-M1636 HydrophobicContact CE1-SD 3.92Å; F1567-M1636 HydrophobicContact CZ-CG 4.5Å; F1567-M1636 HydrophobicContact CZ-SD 4.34Å |
| 1568 | L | 83.7 | Confident | 81.5 | Confident | 60 Ų | 60 | 64 Ų | 64 | 31% | 0.314 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 128 | 170.8 | -169.2 | 73.3 | 0 | 0 | 0 | 109.6 | R1573 W1575 L1635 | L1568-R1573 WeakPolarHBondContact CD1-O 3.44Å; L1568-W1575 HydrophobicContact CB-CE3 4.21Å; L1568-W1575 HydrophobicContact CB-CH2 4.19Å; L1568-W1575 HydrophobicContact CB-CZ2 4.49Å; L1568-W1575 HydrophobicContact CB-CZ3 4.03Å; L1568-W1575 HydrophobicContact CD1-CD2 4.18Å; L1568-W1575 HydrophobicContact CD1-CG 4.48Å; L1568-W1575 HydrophobicContact CD1-CZ2 4.33Å; L1568-L1635 HydrophobicContact CB-CB 3.99Å; L1568-L1635 HydrophobicContact CB-CD2 4.13Å; L1568-L1635 HydrophobicContact CD2-CD2 3.78Å; L1568-L1635 PolarHBondContact N-O 3.3Å |
| 1569 | E | 72.3 | Confident | 82.2 | Confident | 18 Ų | 18 | 61.8 Ų | 61.8 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | trans | -88.9 | 126.3 | 173.4 | -73.4 | -173.6 | 154.8 | 0 | 0 | 111.6 | K1571 T1572 R1573 G1574 M1576 R1578 | E1569-K1571 VanDerWaalsContact C-N 3.29Å; E1569-K1571 PolarHBondContact O-N 2.8Å; E1569-T1572 VanDerWaalsContact CB-OG1 3.25Å; E1569-T1572 WeakPolarHBondContact CB-OG1 3.5Å; E1569-T1572 WeakPolarHBondContact OE2-CG2 3.49Å; E1569-T1572 PolarHBondContact OE2-OG1 2.74Å; E1569-R1573 WeakPolarHBondContact O-CA 3.04Å; E1569-R1573 PolarHBondContact O-N 3.29Å; E1569-G1574 PolarHBondContact N-O 3.44Å; E1569-M1576 HydrophobicContact CG-CB 4.23Å; E1569-M1576 WeakPolarHBondContact OE1-CE 3.47Å; E1569-R1578 IonicContact OE1-NH2 2.67Å | ||
| 1570 | E | 65.9 | Low | 82.6 | Confident | 94 Ų | 94 | 59.1 Ų | 59.1 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -35.2 | 179.4 | -70.6 | 140 | -112.3 | 0 | 0 | 113.5 | N1240 R1632 | N1240-E1570 PolarHBondContact ND2-OE2 2.88Å; E1570-R1632 IonicContact OE1-CZ 2.69Å; E1570-R1632 IonicContact OE1-NE 2.83Å; E1570-R1632 PolarHBondContact OE1-NE 3.27Å; E1570-R1632 IonicContact OE1-NH2 3.24Å; E1570-R1632 PolarHBondContact OE1-NH2 2.97Å; E1570-R1632 IonicContact OE2-NE 3.68Å; E1570-R1632 IonicContact OE2-NH2 3.91Å |
| 1571 | K | 61.3 | Low | 82.8 | Confident | 120 Ų | 120 | 57.1 Ų | 57.1 | 52% | 0.522 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -49 | -177.1 | -82.2 | 173.4 | 166.6 | 162.3 | 0 | 113 | D1239 N1240 E1569 | D1239-K1571 PolarHBondContact O-NZ 3.46Å; N1240-K1571 VanDerWaalsContact OD1-CD 3.27Å; N1240-K1571 WeakPolarHBondContact OD1-CD 3.33Å; N1240-K1571 WeakPolarHBondContact OD1-CE 3.18Å; N1240-K1571 PolarHBondContact OD1-NZ 2.76Å; E1569-K1571 VanDerWaalsContact C-N 3.29Å; E1569-K1571 PolarHBondContact O-N 2.8Å |
| 1572 | T | 65.5 | Low | 82.8 | Confident | 68 Ų | 68 | 55.6 Ų | 55.6 | 42% | 0.417 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -19.2 | -174.8 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | E1569 G1574 | E1569-T1572 VanDerWaalsContact CB-OG1 3.25Å; E1569-T1572 WeakPolarHBondContact CB-OG1 3.5Å; E1569-T1572 WeakPolarHBondContact OE2-CG2 3.49Å; E1569-T1572 PolarHBondContact OE2-OG1 2.74Å; T1572-G1574 PolarHBondContact O-N 3.11Å; T1572-G1574 VanDerWaalsContact O-N 3.16Å; T1572-G1574 PolarHBondContact OG1-N 3.33Å; T1572-G1574 VanDerWaalsContact OG1-N 3.08Å |
| 1573 | R | 68.3 | Low | 82.6 | Confident | 215 Ų | 215 | 51.1 Ų | 51.1 | 81% | 0.811 | 24% | 0.236 | S | C | * | . | trans | 54.8 | 16.2 | -163.1 | -58.8 | -175.6 | 176.9 | -171.6 | -1.1 | 113.6 | L1568 E1569 | L1568-R1573 WeakPolarHBondContact CD1-O 3.44Å; E1569-R1573 WeakPolarHBondContact O-CA 3.04Å; E1569-R1573 PolarHBondContact O-N 3.29Å | ||
| 1574 | G | 76.3 | Confident | 82.2 | Confident | 29 Ų | 29 | 55.8 Ų | 55.8 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | trans | -85.8 | 157.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1569 T1572 | E1569-G1574 PolarHBondContact N-O 3.44Å; T1572-G1574 PolarHBondContact O-N 3.11Å; T1572-G1574 VanDerWaalsContact O-N 3.16Å; T1572-G1574 PolarHBondContact OG1-N 3.33Å; T1572-G1574 VanDerWaalsContact OG1-N 3.08Å | ||
| 1575 | W | 81.4 | Confident | 81.7 | Confident | 86 Ų | 86 | 55.2 Ų | 55.2 | 33% | 0.326 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 107.7 | 170 | -74.5 | 103 | 0 | 0 | 0 | 110 | N1566 F1567 L1568 V1621 T1624 L1635 Q1637 | N1566-W1575 HydrophobicContact CB-CD2 4.46Å; N1566-W1575 HydrophobicContact CB-CE3 3.74Å; N1566-W1575 HydrophobicContact CB-CZ3 4.37Å; F1567-W1575 VanDerWaalsContact C-CE3 3.46Å; F1567-W1575 CarbonylContact O-C 3.55Å; F1567-W1575 WeakPolarHBondContact O-CA 3.22Å; L1568-W1575 HydrophobicContact CB-CE3 4.21Å; L1568-W1575 HydrophobicContact CB-CH2 4.19Å; L1568-W1575 HydrophobicContact CB-CZ2 4.49Å; L1568-W1575 HydrophobicContact CB-CZ3 4.03Å; L1568-W1575 HydrophobicContact CD1-CD2 4.18Å; L1568-W1575 HydrophobicContact CD1-CG 4.48Å; L1568-W1575 HydrophobicContact CD1-CZ2 4.33Å; W1575-V1621 HydrophobicContact CZ2-CB 4.37Å; W1575-V1621 HydrophobicContact CZ2-CG1 3.83Å; W1575-V1621 HydrophobicContact CZ2-CG2 4.44Å; W1575-T1624 HydrophobicContact CH2-CG2 4Å; W1575-L1635 HydrophobicContact CH2-CD2 3.78Å; W1575-L1635 HydrophobicContact CH2-CG 4.06Å; W1575-L1635 HydrophobicContact CZ2-CD2 4.15Å; W1575-Q1637 HydrophobicContact CE3-CB 4.18Å; W1575-Q1637 HydrophobicContact CH2-CB 3.72Å; W1575-Q1637 HydrophobicContact CZ2-CB 4.41Å; W1575-Q1637 HydrophobicContact CZ3-CB 3.59Å |
| 1576 | M | 83.4 | Confident | 81.6 | Confident | 67 Ų | 67 | 56 Ų | 56 | 33% | 0.33 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 117.7 | 172.2 | -174.2 | 176.2 | -78.2 | 0 | 0 | 110.5 | F1567 E1569 R1578 | F1567-M1576 PolarHBondContact N-O 3.19Å; F1567-M1576 PolarHBondContact O-N 3.22Å; E1569-M1576 HydrophobicContact CG-CB 4.23Å; E1569-M1576 WeakPolarHBondContact OE1-CE 3.47Å; M1576-R1578 HydrophobicContact CG-CG 4.04Å; M1576-R1578 HydrophobicContact SD-CG 4.2Å; M1576-R1578 VanDerWaalsContact SD-CZ 3.53Å; M1576-R1578 PolarHBondContact SD-NE 3.32Å; M1576-R1578 PolarHBondContact SD-NH2 2.81Å |
| 1577 | K | 89 | Confident | 81.6 | Confident | 109 Ų | 109 | 55 Ų | 55 | 47% | 0.474 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 120.5 | 171.5 | -175.7 | 172.1 | -179.1 | 173.9 | 0 | 109.8 | Y1564 N1566 | Y1564-K1577 HydrophobicContact CD1-CD 4.29Å; Y1564-K1577 HydrophobicContact CD1-CG 3.89Å; Y1564-K1577 VanDerWaalsContact CG-CE 3.46Å; Y1564-K1577 HydrophobicContact CG-CG 4.43Å; N1566-K1577 WeakPolarHBondContact OD1-CB 3.42Å |
| 1578 | R | 88.4 | Confident | 81.7 | Confident | 34 Ų | 34 | 54.4 Ų | 54.4 | 13% | 0.128 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 157.6 | 176 | -63.6 | -168 | -174.4 | -155.1 | 3.1 | 110.8 | Y1564 M1565 F1567 E1569 M1576 | Y1564-R1578 WeakPolarHBondContact CA-O 3.17Å; M1565-R1578 PolarHBondContact N-O 3.13Å; M1565-R1578 PolarHBondContact O-N 2.87Å; F1567-R1578 HydrophobicContact CD2-CB 4.11Å; F1567-R1578 HydrophobicContact CD2-CG 4.34Å; F1567-R1578 HydrophobicContact CE2-CB 4.06Å; E1569-R1578 IonicContact OE1-NH2 2.67Å; M1576-R1578 HydrophobicContact CG-CG 4.04Å; M1576-R1578 HydrophobicContact SD-CG 4.2Å; M1576-R1578 VanDerWaalsContact SD-CZ 3.53Å; M1576-R1578 PolarHBondContact SD-NE 3.32Å; M1576-R1578 PolarHBondContact SD-NH2 2.81Å |
| 1579 | W | 92.4 | Very high | 82 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 10% | 0.098 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 133.3 | 169 | -177.6 | -105.6 | 0 | 0 | 0 | 109.7 | K1562 G1563 Y1564 F1590 E1593 | K1562-W1579 HydrophobicContact CB-CZ2 4.28Å; K1562-W1579 HydrophobicContact CD-CZ2 3.83Å; K1562-W1579 HydrophobicContact CG-CZ2 4.14Å; G1563-W1579 VanDerWaalsContact CA-CZ3 3.48Å; Y1564-W1579 HydrophobicContact CD1-CB 4.35Å; Y1564-W1579 AromaticContact CD1-CE3 3.99Å; Y1564-W1579 HydrophobicContact CD1-CE3 3.99Å; Y1564-W1579 AromaticContact CD2-CE3 3.57Å; Y1564-W1579 HydrophobicContact CD2-CE3 3.57Å; Y1564-W1579 AromaticContact CD2-CZ3 3.62Å; Y1564-W1579 HydrophobicContact CD2-CZ3 3.62Å; Y1564-W1579 HydrophobicContact CE1-CB 4.16Å; Y1564-W1579 HydrophobicContact CE1-CE3 4.04Å; Y1564-W1579 AromaticContact CE2-CE3 3.6Å; Y1564-W1579 HydrophobicContact CE2-CE3 3.6Å; Y1564-W1579 AromaticContact CE2-CZ3 3.7Å; Y1564-W1579 HydrophobicContact CE2-CZ3 3.7Å; Y1564-W1579 AromaticContact CG-CE3 3.75Å; Y1564-W1579 HydrophobicContact CG-CE3 3.75Å; Y1564-W1579 HydrophobicContact CG-CZ3 4.2Å; Y1564-W1579 AromaticContact CZ-CE3 3.84Å; W1579-F1590 HydrophobicContact CB-CB 4.2Å; W1579-F1590 PolarHBondContact N-O 3.23Å; W1579-F1590 PolarHBondContact O-N 3.14Å; W1579-E1593 HydrophobicContact CD2-CB 3.77Å; W1579-E1593 HydrophobicContact CD2-CG 4.3Å; W1579-E1593 HydrophobicContact CE3-CB 3.94Å; W1579-E1593 HydrophobicContact CG-CB 4.29Å; W1579-E1593 HydrophobicContact CH2-CB 4.04Å; W1579-E1593 HydrophobicContact CH2-CG 3.84Å; W1579-E1593 VanDerWaalsContact CH2-OE1 3.27Å; W1579-E1593 WeakPolarHBondContact CH2-OE1 3.14Å; W1579-E1593 HydrophobicContact CZ2-CB 3.88Å; W1579-E1593 VanDerWaalsContact CZ2-CD 3.42Å; W1579-E1593 HydrophobicContact CZ2-CG 3.48Å; W1579-E1593 VanDerWaalsContact CZ2-CG 3.48Å; W1579-E1593 WeakPolarHBondContact CZ2-OE1 3.46Å; W1579-E1593 HydrophobicContact CZ3-CB 4.06Å; W1579-E1593 HydrophobicContact CZ3-CG 4.39Å |
| 1580 | V | 91.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 136.5 | -168.7 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | K1562 G1563 M1565 F1567 V1587 L1588 L1589 W1647 | K1562-V1580 CarbonylContact C-O 3.58Å; K1562-V1580 WeakPolarHBondContact CA-O 3.34Å; G1563-V1580 PolarHBondContact N-O 3.2Å; G1563-V1580 PolarHBondContact O-N 2.86Å; M1565-V1580 HydrophobicContact CB-CG2 3.95Å; M1565-V1580 HydrophobicContact CE-CG1 4.19Å; M1565-V1580 HydrophobicContact CE-CG2 4.16Å; F1567-V1580 HydrophobicContact CE2-CG2 3.5Å; F1567-V1580 VanDerWaalsContact CE2-CG2 3.5Å; F1567-V1580 HydrophobicContact CZ-CG2 3.66Å; V1580-V1587 HydrophobicContact CG1-CG1 3.4Å; V1580-L1588 WeakPolarHBondContact CA-O 3.41Å; V1580-L1589 HydrophobicContact CG1-CD2 4.15Å; V1580-L1589 HydrophobicContact CG2-CD2 3.9Å; V1580-W1647 HydrophobicContact CB-CH2 3.86Å; V1580-W1647 HydrophobicContact CB-CZ3 4.03Å; V1580-W1647 HydrophobicContact CG1-CH2 4.23Å; V1580-W1647 HydrophobicContact CG1-CZ3 3.87Å |
| 1581 | V | 90.7 | Very high | 83.7 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 9% | 0.085 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 112.5 | 177.8 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | V1559 K1562 R1583 L1588 F1590 | V1559-V1581 HydrophobicContact CB-CG1 4.31Å; V1559-V1581 HydrophobicContact CG1-CG1 3.69Å; V1559-V1581 HydrophobicContact CG2-CG1 3.64Å; K1562-V1581 HydrophobicContact CB-CG1 4.33Å; K1562-V1581 HydrophobicContact CB-CG2 4.08Å; V1581-R1583 HydrophobicContact CG1-CG 4.14Å; V1581-L1588 PolarHBondContact N-O 3.08Å; V1581-L1588 PolarHBondContact O-N 3.21Å; V1581-F1590 HydrophobicContact CB-CE2 3.97Å; V1581-F1590 HydrophobicContact CG2-CD2 4Å; V1581-F1590 HydrophobicContact CG2-CE2 3.61Å |
| 1582 | V | 89.6 | Confident | 85 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 114.2 | 179.1 | -172.9 | 0 | 0 | 0 | 0 | 109.7 | V1559 S1560 K1561 R1584 V1587 L1604 W1647 A1650 I1651 | V1559-V1582 CarbonylContact C-O 3.56Å; V1559-V1582 WeakPolarHBondContact CA-O 3.43Å; S1560-V1582 PolarHBondContact N-O 2.8Å; K1561-V1582 PolarHBondContact O-N 3.38Å; V1582-R1584 HydrophobicContact CG1-CG 4.35Å; V1582-V1587 HydrophobicContact CG1-CG2 4.3Å; V1582-V1587 HydrophobicContact CG2-CG1 4.37Å; V1582-V1587 HydrophobicContact CG2-CG2 4.28Å; V1582-L1604 HydrophobicContact CG1-CD1 4.26Å; V1582-W1647 HydrophobicContact CG2-CE3 4.46Å; V1582-W1647 HydrophobicContact CG2-CZ3 4.13Å; V1582-A1650 WeakPolarHBondContact CG1-O 3.07Å; V1582-A1650 HydrophobicContact CG2-CB 4.4Å; V1582-I1651 HydrophobicContact CG2-CG1 4.33Å |
| 1583 | R | 86.9 | Confident | 85.9 | Confident | 16 Ų | 16 | 48.1 Ų | 48.1 | 6% | 0.06 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 82.5 | 176.9 | -68.4 | -173.3 | 176.4 | -136.1 | 6.6 | 109.2 | N1168 V1555 G1556 V1559 V1581 Y1586 | N1168-R1583 PolarHBondContact O-NH1 2.96Å; N1168-R1583 PolarHBondContact O-NH2 3.02Å; V1555-R1583 HydrophobicContact CG1-CB 3.66Å; V1555-R1583 HydrophobicContact CG1-CG 4.36Å; G1556-R1583 PolarHBondContact O-NH1 2.93Å; V1559-R1583 HydrophobicContact CG2-CG 3.93Å; V1581-R1583 HydrophobicContact CG1-CG 4.14Å; R1583-Y1586 CarbonylContact C-O 3.59Å; R1583-Y1586 WeakPolarHBondContact CA-O 3.49Å; R1583-Y1586 PolarHBondContact N-O 3.11Å; R1583-Y1586 PolarHBondContact O-N 3.45Å; R1583-Y1586 VanDerWaalsContact O-O 3.07Å |
| 1584 | R | 80.8 | Confident | 86.5 | Confident | 108 Ų | 108 | 46.3 Ų | 46.3 | 41% | 0.408 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | 136.7 | -168.8 | -67.2 | -167.3 | -168.4 | 133.5 | 10.4 | 113 | V1582 Y1586 Y1649 A1650 P1653 | V1582-R1584 HydrophobicContact CG1-CG 4.35Å; R1584-Y1586 VanDerWaalsContact C-N 3.34Å; R1584-Y1649 PolarHBondContact NH2-O 3.11Å; R1584-A1650 VanDerWaalsContact CZ-O 3.31Å; R1584-A1650 PolarHBondContact NE-O 3.32Å; R1584-A1650 PolarHBondContact NH2-O 2.69Å; R1584-P1653 VanDerWaalsContact NH1-CG 3.33Å; R1584-P1653 VanDerWaalsContact NH2-CG 3.27Å |
| 1585 | P | 83 | Confident | 86.8 | Confident | 59 Ų | 59 | 45.2 Ų | 45.2 | 38% | 0.383 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -79.8 | 1.1 | 8.3 | 32.9 | -36.2 | 0 | 0 | 0 | 115.2 | L1604 A1605 | P1585-L1604 WeakPolarHBondContact O-CA 3.29Å; P1585-L1604 WeakPolarHBondContact O-CB 3.41Å; P1585-L1604 WeakPolarHBondContact O-CG 3.33Å; P1585-L1604 PolarHBondContact O-N 3.19Å; P1585-A1605 HydrophobicContact CB-CB 4.28Å |
| 1586 | Y | 87 | Confident | 86.9 | Confident | 17 Ų | 17 | 42.9 Ų | 42.9 | 7% | 0.067 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 145.3 | -171.4 | -59.8 | -71.8 | 0 | 0 | 0 | 114.1 | L1330 K1553 V1555 R1583 R1584 V1601 I1602 N1603 | L1330-Y1586 HydrophobicContact CD2-CD1 3.97Å; L1330-Y1586 HydrophobicContact CD2-CD2 3.71Å; L1330-Y1586 HydrophobicContact CD2-CE1 3.85Å; L1330-Y1586 HydrophobicContact CD2-CE2 3.58Å; L1330-Y1586 HydrophobicContact CD2-CG 3.89Å; K1553-Y1586 HydrophobicContact CB-CE2 4.44Å; V1555-Y1586 HydrophobicContact CG2-CD2 4.21Å; R1583-Y1586 CarbonylContact C-O 3.59Å; R1583-Y1586 WeakPolarHBondContact CA-O 3.49Å; R1583-Y1586 PolarHBondContact N-O 3.11Å; R1583-Y1586 PolarHBondContact O-N 3.45Å; R1583-Y1586 VanDerWaalsContact O-O 3.07Å; R1584-Y1586 VanDerWaalsContact C-N 3.34Å; Y1586-V1601 HydrophobicContact CD1-CG1 3.45Å; Y1586-V1601 VanDerWaalsContact CD1-CG1 3.45Å; Y1586-V1601 HydrophobicContact CE1-CG1 4.22Å; Y1586-V1601 HydrophobicContact CG-CG1 4.06Å; Y1586-I1602 CarbonylContact C-O 3.59Å; Y1586-I1602 WeakPolarHBondContact CA-O 3.47Å; Y1586-N1603 HydrophobicContact CD1-CB 4.01Å; Y1586-N1603 HydrophobicContact CE1-CB 3.8Å |
| 1587 | V | 89.3 | Confident | 87 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 124.7 | 159 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | V1580 V1582 L1589 V1601 I1602 L1604 | V1580-V1587 HydrophobicContact CG1-CG1 3.4Å; V1582-V1587 HydrophobicContact CG1-CG2 4.3Å; V1582-V1587 HydrophobicContact CG2-CG1 4.37Å; V1582-V1587 HydrophobicContact CG2-CG2 4.28Å; V1587-L1589 HydrophobicContact CG1-CD2 4.14Å; V1587-V1601 CarbonylContact O-C 3.59Å; V1587-V1601 VanDerWaalsContact O-CA 3.31Å; V1587-V1601 WeakPolarHBondContact O-CA 3.22Å; V1587-I1602 HydrophobicContact CB-CB 4.21Å; V1587-I1602 PolarHBondContact N-O 3.49Å; V1587-I1602 PolarHBondContact O-N 3.4Å; V1587-L1604 HydrophobicContact CG2-CD1 3.74Å; V1587-L1604 HydrophobicContact CG2-CD2 3.78Å; V1587-L1604 HydrophobicContact CG2-CG 3.84Å |
| 1588 | L | 89.3 | Confident | 87 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 133.5 | 179.3 | -52.7 | -177.6 | 0 | 0 | 0 | 109.8 | P1170 V1580 V1581 F1590 I1598 V1601 | P1170-L1588 HydrophobicContact CG-CD1 3.95Å; V1580-L1588 WeakPolarHBondContact CA-O 3.41Å; V1581-L1588 PolarHBondContact N-O 3.08Å; V1581-L1588 PolarHBondContact O-N 3.21Å; L1588-F1590 HydrophobicContact CB-CE2 3.63Å; L1588-F1590 HydrophobicContact CB-CZ 4.04Å; L1588-F1590 HydrophobicContact CD1-CZ 4.41Å; L1588-I1598 HydrophobicContact CB-CG2 4.44Å; L1588-I1598 HydrophobicContact CD1-CD1 4.05Å; L1588-I1598 HydrophobicContact CD1-CG1 4.47Å; L1588-I1598 HydrophobicContact CD2-CD1 4.25Å; L1588-I1598 HydrophobicContact CD2-CG2 4.22Å; L1588-V1601 HydrophobicContact CD2-CG1 4.33Å; L1588-V1601 HydrophobicContact CD2-CG2 3.86Å |
| 1589 | L | 89.9 | Confident | 86.9 | Confident | 7 Ų | 7 | 35.1 Ų | 35.1 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 138.3 | -179.3 | -50.4 | -178.7 | 0 | 0 | 0 | 110.5 | F1567 V1580 V1587 R1599 G1600 | F1567-L1589 HydrophobicContact CE1-CD1 4.33Å; F1567-L1589 HydrophobicContact CE1-CD2 3.94Å; F1567-L1589 HydrophobicContact CE2-CD2 4.12Å; F1567-L1589 HydrophobicContact CZ-CD1 4.47Å; F1567-L1589 HydrophobicContact CZ-CD2 3.4Å; V1580-L1589 HydrophobicContact CG1-CD2 4.15Å; V1580-L1589 HydrophobicContact CG2-CD2 3.9Å; V1587-L1589 HydrophobicContact CG1-CD2 4.14Å; L1589-R1599 PolarHBondContact O-N 3.07Å; L1589-G1600 PolarHBondContact N-O 2.83Å; L1589-G1600 PolarHBondContact O-N 2.89Å |
| 1590 | F | 88.8 | Confident | 86.6 | Confident | 15 Ų | 15 | 33.9 Ų | 33.9 | 7% | 0.066 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 156.9 | 179.6 | -55.6 | -96.1 | 0 | 0 | 0 | 109.1 | W1579 V1581 L1588 D1595 V1597 I1598 | W1579-F1590 HydrophobicContact CB-CB 4.2Å; W1579-F1590 PolarHBondContact N-O 3.23Å; W1579-F1590 PolarHBondContact O-N 3.14Å; V1581-F1590 HydrophobicContact CB-CE2 3.97Å; V1581-F1590 HydrophobicContact CG2-CD2 4Å; V1581-F1590 HydrophobicContact CG2-CE2 3.61Å; L1588-F1590 HydrophobicContact CB-CE2 3.63Å; L1588-F1590 HydrophobicContact CB-CZ 4.04Å; L1588-F1590 HydrophobicContact CD1-CZ 4.41Å; F1590-D1595 HydrophobicContact CB-CB 4.41Å; F1590-D1595 VanDerWaalsContact CD1-O 3.22Å; F1590-D1595 WeakPolarHBondContact CD1-O 3.34Å; F1590-V1597 VanDerWaalsContact CD1-O 3.22Å; F1590-V1597 WeakPolarHBondContact CD1-O 3.42Å; F1590-I1598 HydrophobicContact CE1-CG1 3.9Å; F1590-I1598 HydrophobicContact CZ-CG1 3.93Å |
| 1591 | N | 85.7 | Confident | 86.4 | Confident | 63 Ų | 63 | 35.1 Ų | 35.1 | 34% | 0.337 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -68.8 | -45.8 | 179.6 | -73.5 | -6.4 | 0 | 0 | 0 | 111.8 | D1595 R1599 | N1591-D1595 HydrophobicContact CB-CB 4.22Å; N1591-D1595 WeakPolarHBondContact CB-OD2 3.38Å; N1591-D1595 PolarHBondContact N-OD2 3.46Å; N1591-R1599 VanDerWaalsContact ND2-CZ 3.3Å; N1591-R1599 PolarHBondContact ND2-NH1 3Å; N1591-R1599 PolarHBondContact ND2-NH2 3.48Å |
| 1592 | D | 87.5 | Confident | 86.3 | Confident | 46 Ų | 46 | 34.6 Ų | 34.6 | 25% | 0.246 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -146.8 | 170.6 | 178.9 | 75.9 | 82.4 | 0 | 0 | 0 | 111.2 | R1324 R1594 D1595 | R1324-D1592 IonicContact NH2-OD1 3.86Å; R1324-D1592 IonicContact NH2-OD2 2.66Å; R1324-D1592 PolarHBondContact NH2-OD2 2.83Å; D1592-R1594 PolarHBondContact O-N 2.85Å; D1592-R1594 VanDerWaalsContact O-N 3.07Å; D1592-R1594 VanDerWaalsContact OD1-CA 3.24Å; D1592-R1594 WeakPolarHBondContact OD1-CA 3.49Å; D1592-R1594 WeakPolarHBondContact OD1-CB 3.48Å; D1592-R1594 PolarHBondContact OD1-N 2.92Å; D1592-D1595 WeakPolarHBondContact O-CB 3.29Å; D1592-D1595 PolarHBondContact O-N 2.74Å; D1592-D1595 PolarHBondContact OD1-N 2.84Å |
| 1593 | E | 85.7 | Confident | 86.1 | Confident | 98 Ų | 98 | 35.4 Ų | 35.4 | 46% | 0.458 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.2 | -179.3 | 180 | 168.2 | -143.3 | 0 | 0 | 113.7 | K1562 Y1564 W1579 | K1562-E1593 IonicContact NZ-OE1 2.66Å; K1562-E1593 PolarHBondContact NZ-OE1 2.8Å; Y1564-E1593 PolarHBondContact OH-N 3.15Å; W1579-E1593 HydrophobicContact CD2-CB 3.77Å; W1579-E1593 HydrophobicContact CD2-CG 4.3Å; W1579-E1593 HydrophobicContact CE3-CB 3.94Å; W1579-E1593 HydrophobicContact CG-CB 4.29Å; W1579-E1593 HydrophobicContact CH2-CB 4.04Å; W1579-E1593 HydrophobicContact CH2-CG 3.84Å; W1579-E1593 VanDerWaalsContact CH2-OE1 3.27Å; W1579-E1593 WeakPolarHBondContact CH2-OE1 3.14Å; W1579-E1593 HydrophobicContact CZ2-CB 3.88Å; W1579-E1593 VanDerWaalsContact CZ2-CD 3.42Å; W1579-E1593 HydrophobicContact CZ2-CG 3.48Å; W1579-E1593 VanDerWaalsContact CZ2-CG 3.48Å; W1579-E1593 WeakPolarHBondContact CZ2-OE1 3.46Å; W1579-E1593 HydrophobicContact CZ3-CB 4.06Å; W1579-E1593 HydrophobicContact CZ3-CG 4.39Å |
| 1594 | R | 80.7 | Confident | 85.9 | Confident | 177 Ų | 177 | 36 Ų | 36 | 67% | 0.668 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 1 | -179.9 | -42.9 | 175.2 | -180 | -179.1 | -0.3 | 112.8 | R1324 D1592 P1596 | R1324-R1594 VanDerWaalsContact CZ-O 3.3Å; R1324-R1594 PolarHBondContact NH2-O 3.31Å; D1592-R1594 PolarHBondContact O-N 2.85Å; D1592-R1594 VanDerWaalsContact O-N 3.07Å; D1592-R1594 VanDerWaalsContact OD1-CA 3.24Å; D1592-R1594 WeakPolarHBondContact OD1-CA 3.49Å; D1592-R1594 WeakPolarHBondContact OD1-CB 3.48Å; D1592-R1594 PolarHBondContact OD1-N 2.92Å; R1594-P1596 WeakPolarHBondContact O-CD 3.31Å |
| 1595 | D | 82.5 | Confident | 85.8 | Confident | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.032 | 18% | 0.176 | C | C | . | . | trans | -84 | 113.2 | 171.8 | -174.8 | 35.2 | 0 | 0 | 0 | 109.3 | F1590 N1591 D1592 R1599 | F1590-D1595 HydrophobicContact CB-CB 4.41Å; F1590-D1595 VanDerWaalsContact CD1-O 3.22Å; F1590-D1595 WeakPolarHBondContact CD1-O 3.34Å; N1591-D1595 HydrophobicContact CB-CB 4.22Å; N1591-D1595 WeakPolarHBondContact CB-OD2 3.38Å; N1591-D1595 PolarHBondContact N-OD2 3.46Å; D1592-D1595 WeakPolarHBondContact O-CB 3.29Å; D1592-D1595 PolarHBondContact O-N 2.74Å; D1592-D1595 PolarHBondContact OD1-N 2.84Å; D1595-R1599 IonicContact OD1-CZ 3.69Å; D1595-R1599 IonicContact OD1-NE 2.63Å; D1595-R1599 IonicContact OD1-NH2 3.66Å; D1595-R1599 PolarHBondContact OD1-NH2 2.85Å; D1595-R1599 WeakPolarHBondContact OD2-CG 3.49Å; D1595-R1599 IonicContact OD2-CZ 3.94Å; D1595-R1599 IonicContact OD2-NE 2.77Å; D1595-R1599 PolarHBondContact OD2-NE 2.74Å; D1595-R1599 IonicContact OD2-NH2 3.17Å; D1595-R1599 PolarHBondContact OD2-NH2 2.85Å | ||
| 1596 | P | 82.6 | Confident | 85.2 | Confident | 36 Ų | 36 | 34.9 Ų | 34.9 | 23% | 0.234 | 18% | 0.175 | C | C | . | . | trans | -83.8 | -12.9 | -175.4 | 33.6 | -34.2 | 0 | 0 | 0 | 113.2 | H1165 R1324 R1594 | H1165-P1596 HydrophobicContact CB-CB 3.94Å; H1165-P1596 WeakPolarHBondContact CD2-CG 3.17Å; R1324-P1596 HydrophobicContact CB-CG 4.22Å; R1594-P1596 WeakPolarHBondContact O-CD 3.31Å | ||
| 1597 | V | 85.4 | Confident | 84.7 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -93.4 | 130.1 | -169.8 | -173.2 | 0 | 0 | 0 | 0 | 110.6 | K1326 F1590 R1599 | K1326-V1597 HydrophobicContact CB-CG1 4.22Å; K1326-V1597 HydrophobicContact CB-CG2 4.41Å; K1326-V1597 WeakPolarHBondContact O-CG2 3.33Å; F1590-V1597 VanDerWaalsContact CD1-O 3.22Å; F1590-V1597 WeakPolarHBondContact CD1-O 3.42Å; V1597-R1599 WeakPolarHBondContact O-CG 3.38Å; V1597-R1599 PolarHBondContact O-N 2.91Å |
| 1598 | I | 89.2 | Confident | 84.2 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | trans | -68.6 | 114.8 | 177.2 | -55.7 | 171.8 | 0 | 0 | 0 | 108.6 | L1144 H1146 P1170 S1328 L1588 F1590 G1600 V1601 | L1144-I1598 HydrophobicContact CD1-CB 4.23Å; L1144-I1598 HydrophobicContact CD1-CG2 4.03Å; L1144-I1598 HydrophobicContact CD2-CG2 4.33Å; H1146-I1598 PolarHBondContact NE2-O 3.29Å; P1170-I1598 HydrophobicContact CB-CD1 4.22Å; P1170-I1598 HydrophobicContact CB-CG1 4.45Å; P1170-I1598 HydrophobicContact CG-CD1 4.38Å; S1328-I1598 PolarHBondContact OG-N 3.36Å; L1588-I1598 HydrophobicContact CB-CG2 4.44Å; L1588-I1598 HydrophobicContact CD1-CD1 4.05Å; L1588-I1598 HydrophobicContact CD1-CG1 4.47Å; L1588-I1598 HydrophobicContact CD2-CD1 4.25Å; L1588-I1598 HydrophobicContact CD2-CG2 4.22Å; F1590-I1598 HydrophobicContact CE1-CG1 3.9Å; F1590-I1598 HydrophobicContact CZ-CG1 3.93Å; I1598-G1600 WeakPolarHBondContact CG2-O 3.32Å; I1598-V1601 HydrophobicContact CG2-CG2 3.69Å | ||
| 1599 | R | 86.8 | Confident | 83.7 | Confident | 42 Ų | 42 | 45.2 Ų | 45.2 | 16% | 0.158 | 22% | 0.218 | C | C | . | . | trans | -92.7 | -11.1 | -180 | -53.4 | -59 | -171.7 | 125.6 | 3 | 113.6 | E1323 L1589 N1591 D1595 V1597 | E1323-R1599 VanDerWaalsContact CD-NH1 3.34Å; E1323-R1599 IonicContact OE1-NH1 2.94Å; E1323-R1599 IonicContact OE2-CZ 2.74Å; E1323-R1599 VanDerWaalsContact OE2-CZ 3.22Å; E1323-R1599 IonicContact OE2-NH1 2.65Å; E1323-R1599 PolarHBondContact OE2-NH1 2.96Å; E1323-R1599 IonicContact OE2-NH2 3.07Å; E1323-R1599 PolarHBondContact OE2-NH2 3.2Å; L1589-R1599 PolarHBondContact O-N 3.07Å; N1591-R1599 VanDerWaalsContact ND2-CZ 3.3Å; N1591-R1599 PolarHBondContact ND2-NH1 3Å; N1591-R1599 PolarHBondContact ND2-NH2 3.48Å; D1595-R1599 IonicContact OD1-CZ 3.69Å; D1595-R1599 IonicContact OD1-NE 2.63Å; D1595-R1599 IonicContact OD1-NH2 3.66Å; D1595-R1599 PolarHBondContact OD1-NH2 2.85Å; D1595-R1599 WeakPolarHBondContact OD2-CG 3.49Å; D1595-R1599 IonicContact OD2-CZ 3.94Å; D1595-R1599 IonicContact OD2-NE 2.77Å; D1595-R1599 PolarHBondContact OD2-NE 2.74Å; D1595-R1599 IonicContact OD2-NH2 3.17Å; D1595-R1599 PolarHBondContact OD2-NH2 2.85Å; V1597-R1599 WeakPolarHBondContact O-CG 3.38Å; V1597-R1599 PolarHBondContact O-N 2.91Å | ||
| 1600 | G | 86 | Confident | 83 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.6 | 156.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1589 I1598 | L1589-G1600 PolarHBondContact N-O 2.83Å; L1589-G1600 PolarHBondContact O-N 2.89Å; I1598-G1600 WeakPolarHBondContact CG2-O 3.32Å |
| 1601 | V | 88.2 | Confident | 82.2 | Confident | 25 Ų | 25 | 51 Ų | 51 | 15% | 0.152 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 140 | 179.6 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | L1144 L1330 Y1586 V1587 L1588 I1598 | L1144-V1601 HydrophobicContact CD1-CG2 4.2Å; L1144-V1601 HydrophobicContact CD2-CG2 4.43Å; L1330-V1601 HydrophobicContact CD1-CB 4.45Å; L1330-V1601 HydrophobicContact CD1-CG1 4.13Å; L1330-V1601 HydrophobicContact CD1-CG2 4.19Å; L1330-V1601 HydrophobicContact CD2-CG1 4.43Å; Y1586-V1601 HydrophobicContact CD1-CG1 3.45Å; Y1586-V1601 VanDerWaalsContact CD1-CG1 3.45Å; Y1586-V1601 HydrophobicContact CE1-CG1 4.22Å; Y1586-V1601 HydrophobicContact CG-CG1 4.06Å; V1587-V1601 CarbonylContact O-C 3.59Å; V1587-V1601 VanDerWaalsContact O-CA 3.31Å; V1587-V1601 WeakPolarHBondContact O-CA 3.22Å; L1588-V1601 HydrophobicContact CD2-CG1 4.33Å; L1588-V1601 HydrophobicContact CD2-CG2 3.86Å; I1598-V1601 HydrophobicContact CG2-CG2 3.69Å |
| 1602 | I | 87.4 | Confident | 81.2 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 125.3 | 168.7 | -49.8 | 174.1 | 0 | 0 | 0 | 107.5 | F1567 Y1586 V1587 T1607 V1627 T1629 F1634 M1636 | F1567-I1602 HydrophobicContact CE1-CD1 4.49Å; Y1586-I1602 CarbonylContact C-O 3.59Å; Y1586-I1602 WeakPolarHBondContact CA-O 3.47Å; V1587-I1602 HydrophobicContact CB-CB 4.21Å; V1587-I1602 PolarHBondContact N-O 3.49Å; V1587-I1602 PolarHBondContact O-N 3.4Å; I1602-T1607 HydrophobicContact CG2-CG2 3.69Å; I1602-V1627 HydrophobicContact CG2-CG1 4.35Å; I1602-T1629 HydrophobicContact CG2-CG2 4.11Å; I1602-F1634 HydrophobicContact CD1-CB 4.41Å; I1602-F1634 HydrophobicContact CD1-CD1 4.06Å; I1602-F1634 HydrophobicContact CD1-CD2 3.85Å; I1602-F1634 HydrophobicContact CD1-CE1 4.25Å; I1602-F1634 HydrophobicContact CD1-CE2 4.05Å; I1602-F1634 HydrophobicContact CD1-CG 3.85Å; I1602-F1634 HydrophobicContact CD1-CZ 4.24Å; I1602-F1634 HydrophobicContact CG1-CD2 4.31Å; I1602-F1634 HydrophobicContact CG1-CE2 4.03Å; I1602-F1634 HydrophobicContact CG1-CZ 4.12Å; I1602-F1634 HydrophobicContact CG2-CD2 4.38Å; I1602-F1634 HydrophobicContact CG2-CE2 4.27Å; I1602-M1636 HydrophobicContact CD1-CE 3.6Å |
| 1603 | N | 85.3 | Confident | 80.1 | Confident | 16 Ų | 16 | 54 Ų | 54 | 9% | 0.086 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 100.3 | -176.7 | -176 | -5.7 | 0 | 0 | 0 | 111.6 | D1142 Y1586 A1605 H1606 T1607 | D1142-N1603 PolarHBondContact OD1-ND2 3.4Å; D1142-N1603 VanDerWaalsContact OD1-ND2 3.13Å; D1142-N1603 VanDerWaalsContact OD2-CB 3.26Å; D1142-N1603 WeakPolarHBondContact OD2-CB 3.15Å; D1142-N1603 PolarHBondContact OD2-ND2 3.21Å; Y1586-N1603 HydrophobicContact CD1-CB 4.01Å; Y1586-N1603 HydrophobicContact CE1-CB 3.8Å; N1603-A1605 PolarHBondContact O-N 3.43Å; N1603-A1605 VanDerWaalsContact O-N 3.08Å; N1603-A1605 VanDerWaalsContact OD1-CB 3.29Å; N1603-A1605 WeakPolarHBondContact OD1-CB 3.44Å; N1603-A1605 PolarHBondContact OD1-N 3.25Å; N1603-A1605 VanDerWaalsContact OD1-N 3.11Å; N1603-H1606 PolarHBondContact O-N 2.81Å; N1603-T1607 WeakPolarHBondContact O-CG2 3.41Å; N1603-T1607 PolarHBondContact O-N 3.3Å |
| 1604 | L | 83.7 | Confident | 79 | Confident | 28 Ų | 28 | 54.9 Ų | 54.9 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -10.3 | -176.3 | -55.5 | 177.8 | 0 | 0 | 0 | 114.5 | V1582 P1585 V1587 T1607 V1627 I1651 | V1582-L1604 HydrophobicContact CG1-CD1 4.26Å; P1585-L1604 WeakPolarHBondContact O-CA 3.29Å; P1585-L1604 WeakPolarHBondContact O-CB 3.41Å; P1585-L1604 WeakPolarHBondContact O-CG 3.33Å; P1585-L1604 PolarHBondContact O-N 3.19Å; V1587-L1604 HydrophobicContact CG2-CD1 3.74Å; V1587-L1604 HydrophobicContact CG2-CD2 3.78Å; V1587-L1604 HydrophobicContact CG2-CG 3.84Å; L1604-T1607 WeakPolarHBondContact CA-OG1 3.49Å; L1604-T1607 HydrophobicContact CD2-CG2 4.41Å; L1604-V1627 HydrophobicContact CD2-CG1 4.29Å; L1604-I1651 HydrophobicContact CD1-CG2 4.1Å; L1604-I1651 HydrophobicContact CD2-CG2 3.78Å |
| 1605 | A | 78 | Confident | 78.1 | Confident | 68 Ų | 68 | 49.4 Ų | 49.4 | 56% | 0.562 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -24.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1585 N1603 | P1585-A1605 HydrophobicContact CB-CB 4.28Å; N1603-A1605 PolarHBondContact O-N 3.43Å; N1603-A1605 VanDerWaalsContact O-N 3.08Å; N1603-A1605 VanDerWaalsContact OD1-CB 3.29Å; N1603-A1605 WeakPolarHBondContact OD1-CB 3.44Å; N1603-A1605 PolarHBondContact OD1-N 3.25Å; N1603-A1605 VanDerWaalsContact OD1-N 3.11Å |
| 1606 | H | 71.2 | Confident | 77 | Confident | 76 Ų | 76 | 51 Ų | 51 | 35% | 0.352 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -117.7 | 10.8 | -177.7 | -55.3 | 151.2 | 0 | 0 | 0 | 113.1 | N1603 | N1603-H1606 PolarHBondContact O-N 2.81Š|
| 1607 | T | 75.4 | Confident | 75.9 | Confident | 23 Ų | 23 | 52.8 Ų | 52.8 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | trans | -101.5 | 145.1 | 177.7 | 59.9 | 0 | 0 | 0 | 0 | 113.6 | I1602 N1603 L1604 V1627 C1628 T1629 | I1602-T1607 HydrophobicContact CG2-CG2 3.69Å; N1603-T1607 WeakPolarHBondContact O-CG2 3.41Å; N1603-T1607 PolarHBondContact O-N 3.3Å; L1604-T1607 WeakPolarHBondContact CA-OG1 3.49Å; L1604-T1607 HydrophobicContact CD2-CG2 4.41Å; T1607-V1627 HydrophobicContact CG2-CG1 3.62Å; T1607-C1628 CarbonylContact C-O 3.56Å; T1607-C1628 WeakPolarHBondContact CA-O 3.3Å; T1607-C1628 WeakPolarHBondContact CB-O 3.28Å; T1607-T1629 HydrophobicContact CG2-CG2 3.84Å | ||
| 1608 | R | 78.8 | Confident | 74.7 | Confident | 193 Ų | 193 | 60.4 Ų | 60.4 | 73% | 0.728 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 144.3 | 156.3 | -59.4 | -179 | -174.5 | -174.9 | 2.3 | 108.9 | V1627 C1628 | R1608-V1627 CarbonylContact O-C 3.53Å; R1608-V1627 WeakPolarHBondContact O-CA 3.44Å; R1608-C1628 PolarHBondContact N-O 2.96Å; R1608-C1628 PolarHBondContact O-N 2.88Å |
| 1609 | V | 79.2 | Confident | 73.5 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 12% | 0.121 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.4 | 173.8 | -177.8 | 0 | 0 | 0 | 0 | 106.7 | F1625 S1626 V1627 L1648 I1651 N1652 L1655 | V1609-F1625 HydrophobicContact CG1-CD2 4.44Å; V1609-S1626 WeakPolarHBondContact CA-O 3.4Å; V1609-V1627 HydrophobicContact CG1-CG2 4.38Å; V1609-V1627 HydrophobicContact CG2-CG1 4.27Å; V1609-V1627 HydrophobicContact CG2-CG2 4.28Å; V1609-L1648 HydrophobicContact CG1-CD2 4.39Å; V1609-I1651 HydrophobicContact CG2-CG2 3.76Å; V1609-N1652 HydrophobicContact CB-CB 4.4Å; V1609-N1652 HydrophobicContact CG2-CB 4.09Å; V1609-L1655 HydrophobicContact CB-CD2 4.11Å; V1609-L1655 HydrophobicContact CG1-CD2 3.66Å |
| 1610 | E | 75.2 | Confident | 72.6 | Confident | 87 Ų | 87 | 70.8 Ų | 70.8 | 41% | 0.407 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 143 | -179.8 | -42.7 | -178 | 157.4 | 0 | 0 | 110.5 | Q1615 S1626 | E1610-Q1615 PolarHBondContact OE2-NE2 2.87Å; E1610-S1626 WeakPolarHBondContact CB-OG 3.48Å; E1610-S1626 PolarHBondContact N-O 2.94Å; E1610-S1626 PolarHBondContact O-N 3.41Å |
| 1611 | Y | 71.5 | Confident | 71.8 | Confident | 58 Ų | 58 | 72.5 Ų | 72.5 | 23% | 0.227 | 37% | 0.371 | C | S | . | . | trans | -151 | 115.4 | 175.7 | 175.8 | -100.1 | 0 | 0 | 0 | 107 | L1616 F1625 M1644 L1648 I1659 | Y1611-L1616 HydrophobicContact CE2-CD1 3.99Å; Y1611-F1625 HydrophobicContact CD2-CB 4.14Å; Y1611-M1644 HydrophobicContact CD2-CE 4.03Å; Y1611-M1644 HydrophobicContact CE2-CE 3.5Å; Y1611-M1644 HydrophobicContact CE2-SD 3.85Å; Y1611-L1648 HydrophobicContact CD2-CD1 4.47Å; Y1611-I1659 HydrophobicContact CD1-CD1 3.46Å; Y1611-I1659 VanDerWaalsContact CD1-CD1 3.46Å; Y1611-I1659 HydrophobicContact CD1-CG1 4.02Å; Y1611-I1659 HydrophobicContact CE1-CD1 3.91Å; Y1611-I1659 HydrophobicContact CE1-CG1 4.26Å; Y1611-I1659 HydrophobicContact CG-CD1 4Å | ||
| 1612 | S | 65.8 | Low | 71 | Confident | 37 Ų | 37 | 75.3 Ų | 75.3 | 26% | 0.259 | 39% | 0.39 | S | S | . | . | trans | -133 | 145.3 | 169.3 | -169.3 | 0 | 0 | 0 | 0 | 110.8 | D1614 Q1615 L1616 | S1612-D1614 PolarHBondContact O-N 3.17Å; S1612-D1614 PolarHBondContact OG-N 3.2Å; S1612-D1614 PolarHBondContact OG-OD2 3.47Å; S1612-Q1615 PolarHBondContact O-N 3.4Å; S1612-Q1615 VanDerWaalsContact O-N 3.11Å; S1612-L1616 PolarHBondContact O-N 2.89Å | ||
| 1613 | E | 64.1 | Low | 70.5 | Confident | 135 Ų | 135 | 76.6 Ų | 76.6 | 63% | 0.631 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.9 | -31.6 | 167.5 | -70.4 | 160.3 | -162 | 0 | 0 | 110.5 | L1616 A1617 | E1613-L1616 PolarHBondContact O-N 2.79Å; E1613-A1617 WeakPolarHBondContact O-CB 3.43Å; E1613-A1617 PolarHBondContact O-N 3.29Å |
| 1614 | D | 61.4 | Low | 70.3 | Confident | 115 Ų | 115 | 76.1 Ų | 76.1 | 62% | 0.615 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.2 | -39.7 | 172.6 | -45.3 | -61.9 | 0 | 0 | 0 | 112.2 | S1612 L1616 A1617 M1618 | S1612-D1614 PolarHBondContact O-N 3.17Å; S1612-D1614 PolarHBondContact OG-N 3.2Å; S1612-D1614 PolarHBondContact OG-OD2 3.47Å; D1614-L1616 VanDerWaalsContact C-N 3.35Å; D1614-A1617 PolarHBondContact O-N 2.77Å; D1614-M1618 WeakPolarHBondContact O-CB 3.22Å; D1614-M1618 VanDerWaalsContact O-CG 3.3Å; D1614-M1618 WeakPolarHBondContact O-CG 3.44Å; D1614-M1618 PolarHBondContact O-N 3.15Å |
| 1615 | Q | 61.8 | Low | 70.3 | Confident | 62 Ų | 62 | 74.9 Ų | 74.9 | 29% | 0.29 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.1 | -37.9 | 177.6 | -76.1 | 179.2 | -13.1 | 0 | 0 | 110.7 | E1610 S1612 M1618 L1619 | E1610-Q1615 PolarHBondContact OE2-NE2 2.87Å; S1612-Q1615 PolarHBondContact O-N 3.4Å; S1612-Q1615 VanDerWaalsContact O-N 3.11Å; Q1615-M1618 PolarHBondContact O-N 3.15Å; Q1615-L1619 VanDerWaalsContact O-CB 3.26Å; Q1615-L1619 WeakPolarHBondContact O-CB 3.42Å; Q1615-L1619 WeakPolarHBondContact O-CD1 3.21Å; Q1615-L1619 VanDerWaalsContact O-CG 3.25Å; Q1615-L1619 WeakPolarHBondContact O-CG 3.44Å; Q1615-L1619 PolarHBondContact O-N 2.62Å |
| 1616 | L | 61.2 | Low | 70.6 | Confident | 41 Ų | 41 | 72.1 Ų | 72.1 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.6 | -43 | 172.4 | -70.7 | 167.5 | 0 | 0 | 0 | 111.6 | Y1611 S1612 E1613 D1614 K1620 | Y1611-L1616 HydrophobicContact CE2-CD1 3.99Å; S1612-L1616 PolarHBondContact O-N 2.89Å; E1613-L1616 PolarHBondContact O-N 2.79Å; D1614-L1616 VanDerWaalsContact C-N 3.35Å; L1616-K1620 PolarHBondContact O-N 2.93Å |
| 1617 | A | 58.1 | Low | 71.2 | Confident | 73 Ų | 73 | 68.6 Ų | 68.6 | 60% | 0.603 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | E1613 D1614 | E1613-A1617 WeakPolarHBondContact O-CB 3.43Å; E1613-A1617 PolarHBondContact O-N 3.29Å; D1614-A1617 PolarHBondContact O-N 2.77Å |
| 1618 | M | 60.5 | Low | 71.4 | Confident | 162 Ų | 162 | 69.1 Ų | 69.1 | 80% | 0.798 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -70.1 | -43.4 | 177.4 | -73.8 | -178.1 | 72.6 | 0 | 0 | 112.9 | D1614 Q1615 | D1614-M1618 WeakPolarHBondContact O-CB 3.22Å; D1614-M1618 VanDerWaalsContact O-CG 3.3Å; D1614-M1618 WeakPolarHBondContact O-CG 3.44Å; D1614-M1618 PolarHBondContact O-N 3.15Å; Q1615-M1618 PolarHBondContact O-N 3.15Å |
| 1619 | L | 63.9 | Low | 71.2 | Confident | 76 Ų | 76 | 61 Ų | 61 | 40% | 0.398 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -77.9 | -23.3 | -176.2 | -70 | 167.3 | 0 | 0 | 0 | 113.3 | Q1615 V1621 T1624 L1635 | Q1615-L1619 VanDerWaalsContact O-CB 3.26Å; Q1615-L1619 WeakPolarHBondContact O-CB 3.42Å; Q1615-L1619 WeakPolarHBondContact O-CD1 3.21Å; Q1615-L1619 VanDerWaalsContact O-CG 3.25Å; Q1615-L1619 WeakPolarHBondContact O-CG 3.44Å; Q1615-L1619 PolarHBondContact O-N 2.62Å; L1619-V1621 PolarHBondContact O-N 3.5Å; L1619-V1621 VanDerWaalsContact O-N 3.09Å; L1619-T1624 HydrophobicContact CD1-CG2 4.22Å; L1619-L1635 HydrophobicContact CD1-CD1 3.83Å; L1619-L1635 HydrophobicContact CD1-CD2 4.1Å; L1619-L1635 HydrophobicContact CD2-CD2 4.32Å |
| 1620 | K | 67.6 | Low | 70.7 | Confident | 187 Ų | 187 | 66 Ų | 66 | 81% | 0.813 | 35% | 0.35 | S | S | * | . | trans | 56.9 | 15.8 | -174.1 | -58.4 | -175.9 | 177.3 | -178.5 | 0 | 114.9 | L1616 | L1616-K1620 PolarHBondContact O-N 2.93Š| ||
| 1621 | V | 68.8 | Low | 70.3 | Confident | 37 Ų | 37 | 67.3 Ų | 67.3 | 22% | 0.224 | 36% | 0.356 | C | S | . | . | trans | -112.6 | 109.8 | 176.5 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | W1575 L1619 T1624 Q1637 | W1575-V1621 HydrophobicContact CZ2-CB 4.37Å; W1575-V1621 HydrophobicContact CZ2-CG1 3.83Å; W1575-V1621 HydrophobicContact CZ2-CG2 4.44Å; L1619-V1621 PolarHBondContact O-N 3.5Å; L1619-V1621 VanDerWaalsContact O-N 3.09Å; V1621-T1624 WeakPolarHBondContact CG1-OG1 3.3Å; V1621-T1624 PolarHBondContact O-OG1 3.28Å; V1621-Q1637 HydrophobicContact CG1-CG 4.46Å | ||
| 1622 | P | 71.7 | Confident | 70.3 | Confident | 84 Ų | 84 | 66.3 Ų | 66.3 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 161.1 | -179.5 | 29.5 | -35.5 | 0 | 0 | 0 | 111.9 | T1624 Q1637 | P1622-T1624 VanDerWaalsContact C-N 3.31Å; P1622-T1624 PolarHBondContact O-N 2.88Å; P1622-T1624 PolarHBondContact O-OG1 3.2Å; P1622-Q1637 PolarHBondContact O-NE2 3.02Å |
| 1623 | N | 78 | Confident | 70.7 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 16% | 0.16 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 29.1 | 178.4 | -45.1 | -21.4 | 0 | 0 | 0 | 114.3 | Q1637 T1638 N1641 | N1623-Q1637 HydrophobicContact CB-CG 4.35Å; N1623-Q1637 WeakPolarHBondContact O-CA 3.4Å; N1623-T1638 PolarHBondContact O-N 2.87Å; N1623-N1641 PolarHBondContact ND2-N 3.2Å; N1623-N1641 WeakPolarHBondContact OD1-CB 3.43Å |
| 1624 | T | 80.1 | Confident | 71.6 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 4% | 0.037 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 144.7 | -175.6 | -49.4 | 0 | 0 | 0 | 0 | 113 | W1575 L1619 V1621 P1622 L1635 M1636 M1644 | W1575-T1624 HydrophobicContact CH2-CG2 4Å; L1619-T1624 HydrophobicContact CD1-CG2 4.22Å; V1621-T1624 WeakPolarHBondContact CG1-OG1 3.3Å; V1621-T1624 PolarHBondContact O-OG1 3.28Å; P1622-T1624 VanDerWaalsContact C-N 3.31Å; P1622-T1624 PolarHBondContact O-N 2.88Å; P1622-T1624 PolarHBondContact O-OG1 3.2Å; T1624-L1635 HydrophobicContact CG2-CD1 3.62Å; T1624-L1635 HydrophobicContact CG2-CD2 3.95Å; T1624-L1635 HydrophobicContact CG2-CG 3.58Å; T1624-M1636 CarbonylContact C-O 3.6Å; T1624-M1636 VanDerWaalsContact CA-O 3.32Å; T1624-M1636 WeakPolarHBondContact CA-O 3.26Å; T1624-M1636 WeakPolarHBondContact CG2-O 3.34Å; T1624-M1644 VanDerWaalsContact O-CE 3.24Å; T1624-M1644 WeakPolarHBondContact O-CE 3.45Å |
| 1625 | F | 83.8 | Confident | 72.7 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.009 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 169.1 | 169.3 | 65.2 | -88.4 | 0 | 0 | 0 | 110.9 | M1565 V1609 Y1611 V1627 M1636 T1638 M1644 W1647 L1648 I1651 | M1565-F1625 HydrophobicContact CE-CZ 4.47Å; M1565-F1625 HydrophobicContact SD-CE1 4.09Å; M1565-F1625 HydrophobicContact SD-CZ 3.81Å; V1609-F1625 HydrophobicContact CG1-CD2 4.44Å; Y1611-F1625 HydrophobicContact CD2-CB 4.14Å; F1625-V1627 HydrophobicContact CD2-CG2 4.11Å; F1625-V1627 HydrophobicContact CE2-CG2 3.79Å; F1625-M1636 HydrophobicContact CD2-CB 4.44Å; F1625-M1636 HydrophobicContact CE1-CB 4.09Å; F1625-M1636 HydrophobicContact CE2-CB 3.97Å; F1625-M1636 HydrophobicContact CE2-CG 4.37Å; F1625-M1636 HydrophobicContact CE2-SD 3.83Å; F1625-M1636 HydrophobicContact CZ-CB 3.77Å; F1625-M1636 HydrophobicContact CZ-CG 4.48Å; F1625-M1636 HydrophobicContact CZ-SD 4.01Å; F1625-M1636 PolarHBondContact N-O 2.9Å; F1625-M1636 PolarHBondContact O-N 2.9Å; F1625-T1638 HydrophobicContact CE1-CG2 3.93Å; F1625-M1644 HydrophobicContact CB-CE 4.42Å; F1625-M1644 HydrophobicContact CD1-CE 4.17Å; F1625-W1647 HydrophobicContact CE1-CB 4.47Å; F1625-L1648 HydrophobicContact CB-CD2 4.17Å; F1625-L1648 HydrophobicContact CD1-CD2 4.14Å; F1625-L1648 HydrophobicContact CD2-CD2 3.95Å; F1625-L1648 HydrophobicContact CE2-CD2 4.37Å; F1625-L1648 HydrophobicContact CG-CD2 3.82Å; F1625-I1651 HydrophobicContact CE2-CD1 3.64Å; F1625-I1651 HydrophobicContact CZ-CD1 3.65Å |
| 1626 | S | 83.6 | Confident | 73.9 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 8% | 0.077 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 150.7 | 177.8 | 80.7 | 0 | 0 | 0 | 0 | 113.3 | V1609 E1610 F1634 | V1609-S1626 WeakPolarHBondContact CA-O 3.4Å; E1610-S1626 WeakPolarHBondContact CB-OG 3.48Å; E1610-S1626 PolarHBondContact N-O 2.94Å; E1610-S1626 PolarHBondContact O-N 3.41Å; S1626-F1634 WeakPolarHBondContact CA-O 3.24Å |
| 1627 | V | 84.8 | Confident | 75.2 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 113.1 | 169.8 | -174.2 | 0 | 0 | 0 | 0 | 108.4 | I1602 L1604 T1607 R1608 V1609 F1625 F1634 M1636 I1651 | I1602-V1627 HydrophobicContact CG2-CG1 4.35Å; L1604-V1627 HydrophobicContact CD2-CG1 4.29Å; T1607-V1627 HydrophobicContact CG2-CG1 3.62Å; R1608-V1627 CarbonylContact O-C 3.53Å; R1608-V1627 WeakPolarHBondContact O-CA 3.44Å; V1609-V1627 HydrophobicContact CG1-CG2 4.38Å; V1609-V1627 HydrophobicContact CG2-CG1 4.27Å; V1609-V1627 HydrophobicContact CG2-CG2 4.28Å; F1625-V1627 HydrophobicContact CD2-CG2 4.11Å; F1625-V1627 HydrophobicContact CE2-CG2 3.79Å; V1627-F1634 PolarHBondContact N-O 3.45Å; V1627-F1634 WeakPolarHBondContact O-CB 3.3Å; V1627-F1634 PolarHBondContact O-N 2.89Å; V1627-M1636 HydrophobicContact CB-CE 3.61Å; V1627-M1636 HydrophobicContact CG1-CE 4.47Å; V1627-M1636 HydrophobicContact CG2-CE 3.5Å; V1627-M1636 VanDerWaalsContact CG2-CE 3.5Å; V1627-M1636 HydrophobicContact CG2-SD 3.91Å; V1627-I1651 HydrophobicContact CG2-CG2 4.44Å |
| 1628 | C | 78.9 | Confident | 76.6 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 24% | 0.236 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 118.1 | -174.8 | -59 | 0 | 0 | 0 | 0 | 110.2 | T1607 R1608 R1632 | T1607-C1628 CarbonylContact C-O 3.56Å; T1607-C1628 WeakPolarHBondContact CA-O 3.3Å; T1607-C1628 WeakPolarHBondContact CB-O 3.28Å; R1608-C1628 PolarHBondContact N-O 2.96Å; R1608-C1628 PolarHBondContact O-N 2.88Å; C1628-R1632 WeakPolarHBondContact CA-O 3.39Å |
| 1629 | T | 74.6 | Confident | 77.7 | Confident | 23 Ų | 23 | 46.2 Ų | 46.2 | 14% | 0.141 | 25% | 0.25 | C | C | . | . | trans | -74 | -179.6 | 162.2 | 74.1 | 0 | 0 | 0 | 0 | 109.3 | E1192 I1602 T1607 H1631 R1632 F1634 | E1192-T1629 PolarHBondContact OE2-OG1 2.97Å; I1602-T1629 HydrophobicContact CG2-CG2 4.11Å; T1607-T1629 HydrophobicContact CG2-CG2 3.84Å; T1629-H1631 PolarHBondContact O-N 3.01Å; T1629-H1631 PolarHBondContact OG1-N 3.1Å; T1629-H1631 VanDerWaalsContact OG1-N 3.1Å; T1629-R1632 PolarHBondContact N-O 3.41Å; T1629-R1632 PolarHBondContact OG1-N 3.2Å; T1629-R1632 PolarHBondContact OG1-O 3.16Å; T1629-F1634 HydrophobicContact CG2-CE2 3.96Å | ||
| 1630 | N | 68.7 | Low | 78.5 | Confident | 125 Ų | 125 | 44.3 Ų | 44.3 | 67% | 0.668 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -65 | -10.5 | 170.7 | -68.4 | -19.5 | 0 | 0 | 0 | 113.6 | ||
| 1631 | H | 66.6 | Low | 78.8 | Confident | 113 Ų | 113 | 40.6 Ų | 40.6 | 52% | 0.523 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -128.9 | -27 | -172.4 | -49.5 | -64.4 | 0 | 0 | 0 | 114 | E1192 T1629 | E1192-H1631 IonicContact OE2-CD2 3.8Å; T1629-H1631 PolarHBondContact O-N 3.01Å; T1629-H1631 PolarHBondContact OG1-N 3.1Å; T1629-H1631 VanDerWaalsContact OG1-N 3.1Å |
| 1632 | R | 71.9 | Confident | 79.2 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 14% | 0.143 | 26% | 0.259 | C | S | . | . | trans | -141.7 | 134.1 | -171.7 | -169.1 | 169.4 | -177.2 | -173.8 | -1.1 | 112.8 | D1239 E1570 C1628 T1629 F1634 | D1239-R1632 IonicContact OD1-NH1 2.69Å; D1239-R1632 PolarHBondContact OD1-NH1 2.95Å; D1239-R1632 VanDerWaalsContact OD1-NH1 3.07Å; E1570-R1632 IonicContact OE1-CZ 2.69Å; E1570-R1632 IonicContact OE1-NE 2.83Å; E1570-R1632 PolarHBondContact OE1-NE 3.27Å; E1570-R1632 IonicContact OE1-NH2 3.24Å; E1570-R1632 PolarHBondContact OE1-NH2 2.97Å; E1570-R1632 IonicContact OE2-NE 3.68Å; E1570-R1632 IonicContact OE2-NH2 3.91Å; C1628-R1632 WeakPolarHBondContact CA-O 3.39Å; T1629-R1632 PolarHBondContact N-O 3.41Å; T1629-R1632 PolarHBondContact OG1-N 3.2Å; T1629-R1632 PolarHBondContact OG1-O 3.16Å; R1632-F1634 HydrophobicContact CB-CE2 4.12Å; R1632-F1634 HydrophobicContact CB-CZ 4.4Å; R1632-F1634 HydrophobicContact CG-CE1 4.41Å; R1632-F1634 HydrophobicContact CG-CE2 4.1Å; R1632-F1634 HydrophobicContact CG-CZ 4.06Å | ||
| 1633 | G | 75.5 | Confident | 79.6 | Confident | 45 Ų | 45 | 45.7 Ų | 45.7 | 46% | 0.464 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 112.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1634 | F | 81.5 | Confident | 79.7 | Confident | 17 Ų | 17 | 44.6 Ų | 44.6 | 8% | 0.075 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 113.7 | 175.5 | -62.7 | -87.7 | 0 | 0 | 0 | 110.2 | I1602 S1626 V1627 T1629 R1632 M1636 | I1602-F1634 HydrophobicContact CD1-CB 4.41Å; I1602-F1634 HydrophobicContact CD1-CD1 4.06Å; I1602-F1634 HydrophobicContact CD1-CD2 3.85Å; I1602-F1634 HydrophobicContact CD1-CE1 4.25Å; I1602-F1634 HydrophobicContact CD1-CE2 4.05Å; I1602-F1634 HydrophobicContact CD1-CG 3.85Å; I1602-F1634 HydrophobicContact CD1-CZ 4.24Å; I1602-F1634 HydrophobicContact CG1-CD2 4.31Å; I1602-F1634 HydrophobicContact CG1-CE2 4.03Å; I1602-F1634 HydrophobicContact CG1-CZ 4.12Å; I1602-F1634 HydrophobicContact CG2-CD2 4.38Å; I1602-F1634 HydrophobicContact CG2-CE2 4.27Å; S1626-F1634 WeakPolarHBondContact CA-O 3.24Å; V1627-F1634 PolarHBondContact N-O 3.45Å; V1627-F1634 WeakPolarHBondContact O-CB 3.3Å; V1627-F1634 PolarHBondContact O-N 2.89Å; T1629-F1634 HydrophobicContact CG2-CE2 3.96Å; R1632-F1634 HydrophobicContact CB-CE2 4.12Å; R1632-F1634 HydrophobicContact CB-CZ 4.4Å; R1632-F1634 HydrophobicContact CG-CE1 4.41Å; R1632-F1634 HydrophobicContact CG-CE2 4.1Å; R1632-F1634 HydrophobicContact CG-CZ 4.06Å; F1634-M1636 HydrophobicContact CB-CE 3.5Å; F1634-M1636 HydrophobicContact CG-CE 4.3Å |
| 1635 | L | 85.1 | Confident | 79.6 | Confident | 30 Ų | 30 | 48.6 Ų | 48.6 | 16% | 0.157 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 125.4 | 171.1 | -164.9 | 75.6 | 0 | 0 | 0 | 109.8 | F1567 L1568 W1575 L1619 T1624 | F1567-L1635 WeakPolarHBondContact CA-O 3.04Å; L1568-L1635 HydrophobicContact CB-CB 3.99Å; L1568-L1635 HydrophobicContact CB-CD2 4.13Å; L1568-L1635 HydrophobicContact CD2-CD2 3.78Å; L1568-L1635 PolarHBondContact N-O 3.3Å; W1575-L1635 HydrophobicContact CH2-CD2 3.78Å; W1575-L1635 HydrophobicContact CH2-CG 4.06Å; W1575-L1635 HydrophobicContact CZ2-CD2 4.15Å; L1619-L1635 HydrophobicContact CD1-CD1 3.83Å; L1619-L1635 HydrophobicContact CD1-CD2 4.1Å; L1619-L1635 HydrophobicContact CD2-CD2 4.32Å; T1624-L1635 HydrophobicContact CG2-CD1 3.62Å; T1624-L1635 HydrophobicContact CG2-CD2 3.95Å; T1624-L1635 HydrophobicContact CG2-CG 3.58Å |
| 1636 | M | 87.9 | Confident | 79.6 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 138.1 | -172.5 | -57.4 | -178.8 | -161.1 | 0 | 0 | 110.9 | M1565 N1566 F1567 I1602 T1624 F1625 V1627 F1634 I1651 | M1565-M1636 HydrophobicContact CE-CB 4.14Å; M1565-M1636 HydrophobicContact CE-CG 4.12Å; M1565-M1636 HydrophobicContact CE-SD 3.39Å; M1565-M1636 WeakPolarHBondContact CE-SD 3.3Å; M1565-M1636 HydrophobicContact CG-CB 4.42Å; M1565-M1636 HydrophobicContact SD-CB 4.03Å; M1565-M1636 HydrophobicContact SD-SD 4.33Å; N1566-M1636 CarbonylContact O-C 3.53Å; N1566-M1636 WeakPolarHBondContact O-CA 3.45Å; F1567-M1636 HydrophobicContact CD1-CG 4Å; F1567-M1636 HydrophobicContact CE1-CE 3.86Å; F1567-M1636 HydrophobicContact CE1-CG 3.86Å; F1567-M1636 HydrophobicContact CE1-SD 3.92Å; F1567-M1636 HydrophobicContact CZ-CG 4.5Å; F1567-M1636 HydrophobicContact CZ-SD 4.34Å; I1602-M1636 HydrophobicContact CD1-CE 3.6Å; T1624-M1636 CarbonylContact C-O 3.6Å; T1624-M1636 VanDerWaalsContact CA-O 3.32Å; T1624-M1636 WeakPolarHBondContact CA-O 3.26Å; T1624-M1636 WeakPolarHBondContact CG2-O 3.34Å; F1625-M1636 HydrophobicContact CD2-CB 4.44Å; F1625-M1636 HydrophobicContact CE1-CB 4.09Å; F1625-M1636 HydrophobicContact CE2-CB 3.97Å; F1625-M1636 HydrophobicContact CE2-CG 4.37Å; F1625-M1636 HydrophobicContact CE2-SD 3.83Å; F1625-M1636 HydrophobicContact CZ-CB 3.77Å; F1625-M1636 HydrophobicContact CZ-CG 4.48Å; F1625-M1636 HydrophobicContact CZ-SD 4.01Å; F1625-M1636 PolarHBondContact N-O 2.9Å; F1625-M1636 PolarHBondContact O-N 2.9Å; V1627-M1636 HydrophobicContact CB-CE 3.61Å; V1627-M1636 HydrophobicContact CG1-CE 4.47Å; V1627-M1636 HydrophobicContact CG2-CE 3.5Å; V1627-M1636 VanDerWaalsContact CG2-CE 3.5Å; V1627-M1636 HydrophobicContact CG2-SD 3.91Å; F1634-M1636 HydrophobicContact CB-CE 3.5Å; F1634-M1636 HydrophobicContact CG-CE 4.3Å; M1636-I1651 HydrophobicContact SD-CD1 4.47Å |
| 1637 | Q | 86.9 | Confident | 79.9 | Confident | 30 Ų | 30 | 52.5 Ų | 52.5 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.5 | 177.2 | -179.9 | -158.6 | 43.1 | 0 | 0 | 111 | M1565 N1566 W1575 V1621 P1622 N1623 | M1565-Q1637 VanDerWaalsContact CG-O 3.26Å; M1565-Q1637 WeakPolarHBondContact CG-O 3.36Å; N1566-Q1637 HydrophobicContact CB-CB 4.18Å; N1566-Q1637 PolarHBondContact N-O 2.97Å; N1566-Q1637 PolarHBondContact ND2-OE1 3.13Å; N1566-Q1637 PolarHBondContact O-N 3.07Å; W1575-Q1637 HydrophobicContact CE3-CB 4.18Å; W1575-Q1637 HydrophobicContact CH2-CB 3.72Å; W1575-Q1637 HydrophobicContact CZ2-CB 4.41Å; W1575-Q1637 HydrophobicContact CZ3-CB 3.59Å; V1621-Q1637 HydrophobicContact CG1-CG 4.46Å; P1622-Q1637 PolarHBondContact O-NE2 3.02Å; N1623-Q1637 HydrophobicContact CB-CG 4.35Å; N1623-Q1637 WeakPolarHBondContact O-CA 3.4Å |
| 1638 | T | 87.3 | Confident | 79.9 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 149.3 | 178.2 | 63.2 | 0 | 0 | 0 | 0 | 112.1 | M1565 N1623 F1625 S1640 W1647 | M1565-T1638 HydrophobicContact SD-CG2 4.33Å; N1623-T1638 PolarHBondContact O-N 2.87Å; F1625-T1638 HydrophobicContact CE1-CG2 3.93Å; T1638-S1640 VanDerWaalsContact C-N 3.3Å; T1638-S1640 PolarHBondContact O-N 3.2Å; T1638-S1640 PolarHBondContact OG1-O 2.97Å; T1638-W1647 HydrophobicContact CG2-CB 3.98Å; T1638-W1647 HydrophobicContact CG2-CG 3.82Å |
| 1639 | L | 83.6 | Confident | 80.2 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 40% | 0.403 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -66.4 | -29.8 | -175.3 | -66 | -174 | 0 | 0 | 0 | 113.8 | ||
| 1640 | S | 80.8 | Confident | 80.8 | Confident | 35 Ų | 35 | 56.9 Ų | 56.9 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -132.1 | 163.8 | 171.3 | 76 | 0 | 0 | 0 | 0 | 110.6 | T1638 E1643 | T1638-S1640 VanDerWaalsContact C-N 3.3Å; T1638-S1640 PolarHBondContact O-N 3.2Å; T1638-S1640 PolarHBondContact OG1-O 2.97Å; S1640-E1643 PolarHBondContact OG-N 3.11Å; S1640-E1643 VanDerWaalsContact OG-N 3.15Å |
| 1641 | N | 74.7 | Confident | 81.6 | Confident | 109 Ų | 109 | 51.3 Ų | 51.3 | 58% | 0.583 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -70.8 | -35.8 | 174.2 | -164.3 | 5.7 | 0 | 0 | 0 | 110.9 | N1623 E1643 M1644 | N1623-N1641 PolarHBondContact ND2-N 3.2Å; N1623-N1641 WeakPolarHBondContact OD1-CB 3.43Å; N1641-E1643 VanDerWaalsContact C-N 3.31Å; N1641-E1643 PolarHBondContact O-N 3.48Å; N1641-M1644 WeakPolarHBondContact O-CB 3.36Å; N1641-M1644 PolarHBondContact O-N 3.27Å; N1641-M1644 VanDerWaalsContact O-N 3.08Å |
| 1642 | E | 76.1 | Confident | 82.3 | Confident | 174 Ų | 174 | 48.1 Ų | 48.1 | 81% | 0.813 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -56.4 | -43.6 | 174.8 | -58.1 | 173.6 | 163.4 | 0 | 0 | 112 | M1644 | E1642-M1644 PolarHBondContact O-N 2.97Å |
| 1643 | E | 81 | Confident | 82.7 | Confident | 54 Ų | 54 | 48.3 Ų | 48.3 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.1 | -17.7 | 179.1 | -82.3 | -156.9 | -122.8 | 0 | 0 | 114 | K1561 S1640 N1641 Q1645 D1646 W1647 | K1561-E1643 WeakPolarHBondContact CE-OE2 3.39Å; K1561-E1643 IonicContact NZ-OE2 2.78Å; K1561-E1643 PolarHBondContact NZ-OE2 2.7Å; K1561-E1643 VanDerWaalsContact NZ-OE2 3.07Å; S1640-E1643 PolarHBondContact OG-N 3.11Å; S1640-E1643 VanDerWaalsContact OG-N 3.15Å; N1641-E1643 VanDerWaalsContact C-N 3.31Å; N1641-E1643 PolarHBondContact O-N 3.48Å; E1643-Q1645 PolarHBondContact O-N 2.98Å; E1643-D1646 WeakPolarHBondContact O-CB 3.43Å; E1643-D1646 PolarHBondContact O-N 2.82Å; E1643-W1647 PolarHBondContact O-N 3.49Å; E1643-W1647 PolarHBondContact OE2-NE1 2.83Å |
| 1644 | M | 80.6 | Confident | 82.6 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.039 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.4 | -44.6 | -172.3 | -172.1 | 173.1 | -136.9 | 0 | 0 | 112.6 | Y1611 T1624 F1625 N1641 E1642 D1646 W1647 L1648 | Y1611-M1644 HydrophobicContact CD2-CE 4.03Å; Y1611-M1644 HydrophobicContact CE2-CE 3.5Å; Y1611-M1644 HydrophobicContact CE2-SD 3.85Å; T1624-M1644 VanDerWaalsContact O-CE 3.24Å; T1624-M1644 WeakPolarHBondContact O-CE 3.45Å; F1625-M1644 HydrophobicContact CB-CE 4.42Å; F1625-M1644 HydrophobicContact CD1-CE 4.17Å; N1641-M1644 WeakPolarHBondContact O-CB 3.36Å; N1641-M1644 PolarHBondContact O-N 3.27Å; N1641-M1644 VanDerWaalsContact O-N 3.08Å; E1642-M1644 PolarHBondContact O-N 2.97Å; M1644-D1646 VanDerWaalsContact C-N 3.31Å; M1644-D1646 PolarHBondContact O-N 2.99Å; M1644-W1647 PolarHBondContact O-N 2.82Å; M1644-L1648 HydrophobicContact CG-CD1 3.92Å; M1644-L1648 HydrophobicContact CG-CG 4.48Å; M1644-L1648 WeakPolarHBondContact O-CB 3.3Å; M1644-L1648 WeakPolarHBondContact O-CG 3.5Å; M1644-L1648 PolarHBondContact O-N 2.86Å |
| 1645 | Q | 78 | Confident | 82 | Confident | 89 Ų | 89 | 53.3 Ų | 53.3 | 42% | 0.416 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | -179.3 | -61.8 | -169.8 | 23.8 | 0 | 0 | 111.7 | E1643 Y1649 | E1643-Q1645 PolarHBondContact O-N 2.98Å; Q1645-Y1649 VanDerWaalsContact O-CB 3.26Å; Q1645-Y1649 WeakPolarHBondContact O-CB 3.38Å; Q1645-Y1649 PolarHBondContact O-N 3.38Å |
| 1646 | D | 84.3 | Confident | 81.1 | Confident | 95 Ų | 95 | 52.4 Ų | 52.4 | 51% | 0.508 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 176.1 | -91.9 | 4 | 0 | 0 | 0 | 112.7 | K1561 E1643 M1644 Y1649 A1650 | K1561-D1646 HydrophobicContact CD-CB 3.79Å; K1561-D1646 IonicContact NZ-OD2 3.52Å; K1561-D1646 PolarHBondContact NZ-OD2 3.09Å; K1561-D1646 VanDerWaalsContact NZ-OD2 3.17Å; E1643-D1646 WeakPolarHBondContact O-CB 3.43Å; E1643-D1646 PolarHBondContact O-N 2.82Å; M1644-D1646 VanDerWaalsContact C-N 3.31Å; M1644-D1646 PolarHBondContact O-N 2.99Å; D1646-Y1649 PolarHBondContact O-N 2.83Å; D1646-A1650 VanDerWaalsContact O-CB 3.29Å; D1646-A1650 WeakPolarHBondContact O-CB 3.38Å; D1646-A1650 PolarHBondContact O-N 2.8Å |
| 1647 | W | 88.6 | Confident | 80 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 179.7 | -79.2 | 109.9 | 0 | 0 | 0 | 110.8 | K1561 M1565 V1580 V1582 F1625 T1638 E1643 M1644 Y1649 A1650 I1651 | K1561-W1647 HydrophobicContact CD-CD2 3.95Å; K1561-W1647 HydrophobicContact CD-CE3 4.29Å; K1561-W1647 HydrophobicContact CD-CG 4.25Å; K1561-W1647 HydrophobicContact CD-CZ2 4.45Å; K1561-W1647 HydrophobicContact CG-CD2 4.38Å; K1561-W1647 HydrophobicContact CG-CE3 4.28Å; K1561-W1647 HydrophobicContact CG-CH2 4.28Å; K1561-W1647 HydrophobicContact CG-CZ2 4.37Å; K1561-W1647 HydrophobicContact CG-CZ3 4.24Å; M1565-W1647 HydrophobicContact CE-CE3 4.41Å; M1565-W1647 HydrophobicContact SD-CD2 4.04Å; M1565-W1647 HydrophobicContact SD-CE3 4.14Å; M1565-W1647 HydrophobicContact SD-CG 4.31Å; V1580-W1647 HydrophobicContact CB-CH2 3.86Å; V1580-W1647 HydrophobicContact CB-CZ3 4.03Å; V1580-W1647 HydrophobicContact CG1-CH2 4.23Å; V1580-W1647 HydrophobicContact CG1-CZ3 3.87Å; V1582-W1647 HydrophobicContact CG2-CE3 4.46Å; V1582-W1647 HydrophobicContact CG2-CZ3 4.13Å; F1625-W1647 HydrophobicContact CE1-CB 4.47Å; T1638-W1647 HydrophobicContact CG2-CB 3.98Å; T1638-W1647 HydrophobicContact CG2-CG 3.82Å; E1643-W1647 PolarHBondContact O-N 3.49Å; E1643-W1647 PolarHBondContact OE2-NE1 2.83Å; M1644-W1647 PolarHBondContact O-N 2.82Å; W1647-Y1649 VanDerWaalsContact C-N 3.35Å; W1647-Y1649 PolarHBondContact O-N 3.19Å; W1647-A1650 PolarHBondContact O-N 3.39Å; W1647-I1651 WeakPolarHBondContact O-CB 3.44Å; W1647-I1651 WeakPolarHBondContact O-CG1 3.34Å; W1647-I1651 PolarHBondContact O-N 2.82Å |
| 1648 | L | 85.7 | Confident | 79 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 172.8 | -68.5 | 171.2 | 0 | 0 | 0 | 111.6 | V1609 Y1611 F1625 M1644 A1650 I1651 N1652 L1655 A1656 I1659 | V1609-L1648 HydrophobicContact CG1-CD2 4.39Å; Y1611-L1648 HydrophobicContact CD2-CD1 4.47Å; F1625-L1648 HydrophobicContact CB-CD2 4.17Å; F1625-L1648 HydrophobicContact CD1-CD2 4.14Å; F1625-L1648 HydrophobicContact CD2-CD2 3.95Å; F1625-L1648 HydrophobicContact CE2-CD2 4.37Å; F1625-L1648 HydrophobicContact CG-CD2 3.82Å; M1644-L1648 HydrophobicContact CG-CD1 3.92Å; M1644-L1648 HydrophobicContact CG-CG 4.48Å; M1644-L1648 WeakPolarHBondContact O-CB 3.3Å; M1644-L1648 WeakPolarHBondContact O-CG 3.5Å; M1644-L1648 PolarHBondContact O-N 2.86Å; L1648-A1650 PolarHBondContact O-N 2.85Å; L1648-I1651 PolarHBondContact O-N 3.13Å; L1648-N1652 CarbonylContact O-C 3.49Å; L1648-N1652 WeakPolarHBondContact O-CA 3.21Å; L1648-N1652 PolarHBondContact O-N 3.28Å; L1648-N1652 VanDerWaalsContact O-O 3.04Å; L1648-L1655 HydrophobicContact CD2-CD2 4.48Å; L1648-A1656 HydrophobicContact CB-CB 4.25Å; L1648-I1659 HydrophobicContact CD1-CD1 3.79Å |
| 1649 | Y | 85.2 | Confident | 77.9 | Confident | 146 Ų | 146 | 59.2 Ų | 59.2 | 57% | 0.573 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68.4 | -32.8 | 176.6 | -173.6 | -98.8 | 0 | 0 | 0 | 112.9 | R1584 Q1645 D1646 W1647 P1653 A1656 | R1584-Y1649 PolarHBondContact NH2-O 3.11Å; Q1645-Y1649 VanDerWaalsContact O-CB 3.26Å; Q1645-Y1649 WeakPolarHBondContact O-CB 3.38Å; Q1645-Y1649 PolarHBondContact O-N 3.38Å; D1646-Y1649 PolarHBondContact O-N 2.83Å; W1647-Y1649 VanDerWaalsContact C-N 3.35Å; W1647-Y1649 PolarHBondContact O-N 3.19Å; Y1649-P1653 HydrophobicContact CD2-CB 4.29Å; Y1649-P1653 HydrophobicContact CE2-CB 4.1Å; Y1649-A1656 VanDerWaalsContact CA-CB 3.49Å; Y1649-A1656 HydrophobicContact CD2-CB 4.01Å; Y1649-A1656 HydrophobicContact CG-CB 4.41Å |
| 1650 | A | 86.3 | Confident | 76.6 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73 | -35.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K1561 V1582 R1584 D1646 W1647 L1648 | K1561-A1650 HydrophobicContact CB-CB 3.49Å; K1561-A1650 VanDerWaalsContact CB-CB 3.49Å; V1582-A1650 WeakPolarHBondContact CG1-O 3.07Å; V1582-A1650 HydrophobicContact CG2-CB 4.4Å; R1584-A1650 VanDerWaalsContact CZ-O 3.31Å; R1584-A1650 PolarHBondContact NE-O 3.32Å; R1584-A1650 PolarHBondContact NH2-O 2.69Å; D1646-A1650 VanDerWaalsContact O-CB 3.29Å; D1646-A1650 WeakPolarHBondContact O-CB 3.38Å; D1646-A1650 PolarHBondContact O-N 2.8Å; W1647-A1650 PolarHBondContact O-N 3.39Å; L1648-A1650 PolarHBondContact O-N 2.85Å |
| 1651 | I | 85.6 | Confident | 75.4 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -81.5 | -59 | 176.8 | -63.5 | 170.2 | 0 | 0 | 0 | 110.3 | V1582 L1604 V1609 F1625 V1627 M1636 W1647 L1648 | V1582-I1651 HydrophobicContact CG2-CG1 4.33Å; L1604-I1651 HydrophobicContact CD1-CG2 4.1Å; L1604-I1651 HydrophobicContact CD2-CG2 3.78Å; V1609-I1651 HydrophobicContact CG2-CG2 3.76Å; F1625-I1651 HydrophobicContact CE2-CD1 3.64Å; F1625-I1651 HydrophobicContact CZ-CD1 3.65Å; V1627-I1651 HydrophobicContact CG2-CG2 4.44Å; M1636-I1651 HydrophobicContact SD-CD1 4.47Å; W1647-I1651 WeakPolarHBondContact O-CB 3.44Å; W1647-I1651 WeakPolarHBondContact O-CG1 3.34Å; W1647-I1651 PolarHBondContact O-N 2.82Å; L1648-I1651 PolarHBondContact O-N 3.13Å |
| 1652 | N | 82 | Confident | 74.4 | Confident | 45 Ų | 45 | 68 Ų | 68 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | trans | -135.2 | 95.7 | -176.5 | -176.1 | -11.5 | 0 | 0 | 0 | 112.6 | V1609 L1648 L1654 L1655 A1656 | V1609-N1652 HydrophobicContact CB-CB 4.4Å; V1609-N1652 HydrophobicContact CG2-CB 4.09Å; L1648-N1652 CarbonylContact O-C 3.49Å; L1648-N1652 WeakPolarHBondContact O-CA 3.21Å; L1648-N1652 PolarHBondContact O-N 3.28Å; L1648-N1652 VanDerWaalsContact O-O 3.04Å; N1652-L1654 PolarHBondContact O-N 2.98Å; N1652-L1654 VanDerWaalsContact O-N 3.17Å; N1652-L1654 WeakPolarHBondContact OD1-CB 3.42Å; N1652-L1654 PolarHBondContact OD1-N 3.35Å; N1652-L1654 VanDerWaalsContact OD1-N 3.1Å; N1652-L1655 HydrophobicContact CB-CB 4.13Å; N1652-L1655 PolarHBondContact O-N 3.03Å; N1652-L1655 PolarHBondContact OD1-N 3.02Å; N1652-A1656 PolarHBondContact O-N 2.93Å; N1652-A1656 VanDerWaalsContact O-N 3.09Å | ||
| 1653 | P | 79.5 | Confident | 73.1 | Confident | 42 Ų | 42 | 63 Ų | 63 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.3 | -28.6 | 179.5 | -23.6 | 32.2 | 0 | 0 | 0 | 114.8 | R1584 Y1649 G1657 | R1584-P1653 VanDerWaalsContact NH1-CG 3.33Å; R1584-P1653 VanDerWaalsContact NH2-CG 3.27Å; Y1649-P1653 HydrophobicContact CD2-CB 4.29Å; Y1649-P1653 HydrophobicContact CE2-CB 4.1Å; P1653-G1657 PolarHBondContact O-N 3.14Å |
| 1654 | L | 74.1 | Confident | 71.2 | Confident | 139 Ų | 139 | 63 Ų | 63 | 73% | 0.728 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -73.6 | -42.6 | -176.5 | -59.3 | 176.8 | 0 | 0 | 0 | 110.2 | N1652 G1657 Q1658 | N1652-L1654 PolarHBondContact O-N 2.98Å; N1652-L1654 VanDerWaalsContact O-N 3.17Å; N1652-L1654 WeakPolarHBondContact OD1-CB 3.42Å; N1652-L1654 PolarHBondContact OD1-N 3.35Å; N1652-L1654 VanDerWaalsContact OD1-N 3.1Å; L1654-G1657 PolarHBondContact O-N 3.02Å; L1654-Q1658 WeakPolarHBondContact O-CG 3.43Å; L1654-Q1658 PolarHBondContact O-N 3.33Å; L1654-Q1658 VanDerWaalsContact O-N 3.11Å |
| 1655 | L | 69.5 | Low | 69.4 | Low | 28 Ų | 28 | 71 Ų | 71 | 15% | 0.147 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.7 | -46.3 | 174.4 | -172 | 70.2 | 0 | 0 | 0 | 111.1 | V1609 L1648 N1652 G1657 Q1658 I1659 | V1609-L1655 HydrophobicContact CB-CD2 4.11Å; V1609-L1655 HydrophobicContact CG1-CD2 3.66Å; L1648-L1655 HydrophobicContact CD2-CD2 4.48Å; N1652-L1655 HydrophobicContact CB-CB 4.13Å; N1652-L1655 PolarHBondContact O-N 3.03Å; N1652-L1655 PolarHBondContact OD1-N 3.02Å; L1655-G1657 VanDerWaalsContact C-N 3.3Å; L1655-G1657 PolarHBondContact O-N 3.28Å; L1655-Q1658 WeakPolarHBondContact O-CB 3.43Å; L1655-Q1658 PolarHBondContact O-N 2.95Å; L1655-Q1658 VanDerWaalsContact O-N 3.07Å; L1655-I1659 HydrophobicContact CD2-CD1 4.47Å; L1655-I1659 HydrophobicContact CG-CD1 3.95Å; L1655-I1659 WeakPolarHBondContact O-CG1 3.39Å; L1655-I1659 PolarHBondContact O-N 3.39Å |
| 1656 | A | 66.3 | Low | 67.6 | Low | 12 Ų | 12 | 71.2 Ų | 71.2 | 10% | 0.099 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.4 | -37.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1648 Y1649 N1652 I1659 K1660 | L1648-A1656 HydrophobicContact CB-CB 4.25Å; Y1649-A1656 VanDerWaalsContact CA-CB 3.49Å; Y1649-A1656 HydrophobicContact CD2-CB 4.01Å; Y1649-A1656 HydrophobicContact CG-CB 4.41Å; N1652-A1656 PolarHBondContact O-N 2.93Å; N1652-A1656 VanDerWaalsContact O-N 3.09Å; A1656-I1659 PolarHBondContact O-N 2.95Å; A1656-K1660 WeakPolarHBondContact O-CB 3.27Å; A1656-K1660 PolarHBondContact O-N 2.85Å |
| 1657 | G | 64.4 | Low | 65.3 | Low | 42 Ų | 42 | 71.5 Ų | 71.5 | 43% | 0.433 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.6 | -36.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P1653 L1654 L1655 S1661 | P1653-G1657 PolarHBondContact O-N 3.14Å; L1654-G1657 PolarHBondContact O-N 3.02Å; L1655-G1657 VanDerWaalsContact C-N 3.3Å; L1655-G1657 PolarHBondContact O-N 3.28Å; G1657-S1661 PolarHBondContact O-N 3.35Å; G1657-S1661 VanDerWaalsContact O-N 3.14Å |
| 1658 | Q | 65.6 | Low | 62.9 | Low | 116 Ų | 116 | 79.1 Ų | 79.1 | 54% | 0.542 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.7 | -46.7 | 173.7 | -71.3 | 168.9 | -4.9 | 0 | 0 | 111.4 | L1654 L1655 K1660 S1661 R1662 | L1654-Q1658 WeakPolarHBondContact O-CG 3.43Å; L1654-Q1658 PolarHBondContact O-N 3.33Å; L1654-Q1658 VanDerWaalsContact O-N 3.11Å; L1655-Q1658 WeakPolarHBondContact O-CB 3.43Å; L1655-Q1658 PolarHBondContact O-N 2.95Å; L1655-Q1658 VanDerWaalsContact O-N 3.07Å; Q1658-K1660 PolarHBondContact O-N 2.73Å; Q1658-S1661 PolarHBondContact O-N 2.71Å; Q1658-S1661 VanDerWaalsContact O-N 3.12Å; Q1658-S1661 PolarHBondContact O-OG 2.82Å; Q1658-R1662 PolarHBondContact O-N 2.8Å |
| 1659 | I | 64.3 | Low | 60.9 | Low | 19 Ų | 19 | 85.3 Ų | 85.3 | 10% | 0.097 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 177.7 | -69.3 | 167.3 | 0 | 0 | 0 | 110.7 | Y1611 L1648 L1655 A1656 S1661 R1662 L1663 | Y1611-I1659 HydrophobicContact CD1-CD1 3.46Å; Y1611-I1659 VanDerWaalsContact CD1-CD1 3.46Å; Y1611-I1659 HydrophobicContact CD1-CG1 4.02Å; Y1611-I1659 HydrophobicContact CE1-CD1 3.91Å; Y1611-I1659 HydrophobicContact CE1-CG1 4.26Å; Y1611-I1659 HydrophobicContact CG-CD1 4Å; L1648-I1659 HydrophobicContact CD1-CD1 3.79Å; L1655-I1659 HydrophobicContact CD2-CD1 4.47Å; L1655-I1659 HydrophobicContact CG-CD1 3.95Å; L1655-I1659 WeakPolarHBondContact O-CG1 3.39Å; L1655-I1659 PolarHBondContact O-N 3.39Å; A1656-I1659 PolarHBondContact O-N 2.95Å; I1659-S1661 VanDerWaalsContact C-N 3.26Å; I1659-S1661 PolarHBondContact O-N 3.47Å; I1659-R1662 PolarHBondContact O-N 2.88Å; I1659-L1663 HydrophobicContact CG2-CD1 3.77Å; I1659-L1663 PolarHBondContact O-N 3Å |
| 1660 | K | 56.6 | Low | 58.4 | Low | 139 Ų | 139 | 82.5 Ų | 82.5 | 60% | 0.604 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.1 | -28.8 | 176.5 | -164 | 161 | -171.1 | 160.6 | 0 | 113 | A1656 Q1658 R1662 G1664 | A1656-K1660 WeakPolarHBondContact O-CB 3.27Å; A1656-K1660 PolarHBondContact O-N 2.85Å; Q1658-K1660 PolarHBondContact O-N 2.73Å; K1660-R1662 VanDerWaalsContact C-N 3.3Å; K1660-R1662 PolarHBondContact O-N 2.8Å; K1660-G1664 WeakPolarHBondContact O-CA 3.33Å; K1660-G1664 PolarHBondContact O-N 3.07Å |
| 1661 | S | 54.5 | Low | 56.1 | Low | 79 Ų | 79 | 90.9 Ų | 90.9 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -75.5 | -12.5 | 172.7 | 76 | 0 | 0 | 0 | 0 | 114.9 | G1657 Q1658 I1659 | G1657-S1661 PolarHBondContact O-N 3.35Å; G1657-S1661 VanDerWaalsContact O-N 3.14Å; Q1658-S1661 PolarHBondContact O-N 2.71Å; Q1658-S1661 VanDerWaalsContact O-N 3.12Å; Q1658-S1661 PolarHBondContact O-OG 2.82Å; I1659-S1661 VanDerWaalsContact C-N 3.26Å; I1659-S1661 PolarHBondContact O-N 3.47Å |
| 1662 | R | 53.4 | Low | 53.3 | Low | 186 Ų | 186 | 102.6 Ų | 102.6 | 70% | 0.702 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -92.7 | -53.6 | 170.8 | -68.2 | -177.7 | 175.3 | -175.1 | -2.2 | 111.1 | Q1658 I1659 K1660 G1664 K1665 | Q1658-R1662 PolarHBondContact O-N 2.8Å; I1659-R1662 PolarHBondContact O-N 2.88Å; K1660-R1662 VanDerWaalsContact C-N 3.3Å; K1660-R1662 PolarHBondContact O-N 2.8Å; R1662-G1664 VanDerWaalsContact C-N 3.34Å; R1662-G1664 PolarHBondContact O-N 3.28Å; R1662-K1665 PolarHBondContact O-N 2.91Å; R1662-K1665 VanDerWaalsContact O-N 3.12Å |
| 1663 | L | 49.5 | Very low | 51.9 | Low | 70 Ų | 70 | 105.5 Ų | 105.5 | 37% | 0.366 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.7 | -34.1 | 179.8 | -80.4 | 156.3 | 0 | 0 | 0 | 113 | I1659 K1665 V1666 V1667 | I1659-L1663 HydrophobicContact CG2-CD1 3.77Å; I1659-L1663 PolarHBondContact O-N 3Å; L1663-K1665 PolarHBondContact O-N 2.67Å; L1663-V1666 PolarHBondContact O-N 2.83Å; L1663-V1667 PolarHBondContact O-N 2.86Å |
| 1664 | G | 41.5 | Very low | 50.4 | Low | 53 Ų | 53 | 108.8 Ų | 108.8 | 55% | 0.546 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.5 | 13 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | K1660 R1662 | K1660-G1664 WeakPolarHBondContact O-CA 3.33Å; K1660-G1664 PolarHBondContact O-N 3.07Å; R1662-G1664 VanDerWaalsContact C-N 3.34Å; R1662-G1664 PolarHBondContact O-N 3.28Å |
| 1665 | K | 41.6 | Very low | 49.1 | Very low | 176 Ų | 176 | 107.2 Ų | 107.2 | 77% | 0.765 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | 5.1 | 166.9 | -69.8 | -166.1 | 166.7 | -156.6 | 0 | 113.3 | R1662 L1663 | R1662-K1665 PolarHBondContact O-N 2.91Å; R1662-K1665 VanDerWaalsContact O-N 3.12Å; L1663-K1665 PolarHBondContact O-N 2.67Å |
| 1666 | V | 41.2 | Very low | 47.9 | Very low | 95 Ų | 95 | 111.8 Ų | 111.8 | 58% | 0.576 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.1 | -23.1 | -169 | -178.3 | 0 | 0 | 0 | 0 | 113 | L1663 | L1663-V1666 PolarHBondContact O-N 2.83Š|
| 1667 | V | 36.3 | Very low | 46.7 | Very low | 100 Ų | 100 | 118.1 Ų | 118.1 | 61% | 0.606 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -95.9 | -10.9 | -168 | -178 | 0 | 0 | 0 | 0 | 114.6 | L1663 I1669 | L1663-V1667 PolarHBondContact O-N 2.86Å; V1667-I1669 VanDerWaalsContact C-N 3.28Å; V1667-I1669 PolarHBondContact O-N 2.72Å |
| 1668 | D | 37.5 | Very low | 45.6 | Very low | 160 Ų | 160 | 123.1 Ų | 123.1 | 86% | 0.856 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 29.1 | 174.9 | -72.5 | -50.9 | 0 | 0 | 0 | 113.5 | ||
| 1669 | I | 43.5 | Very low | 44.1 | Very low | 134 Ų | 134 | 123.6 Ų | 123.6 | 69% | 0.687 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.1 | -10.6 | -172.3 | -64.9 | 179.1 | 0 | 0 | 0 | 113.7 | V1667 | V1667-I1669 VanDerWaalsContact C-N 3.28Å; V1667-I1669 PolarHBondContact O-N 2.72Å |
| 1670 | S | 33.3 | Very low | 42.6 | Very low | 86 Ų | 86 | 131.7 Ų | 131.7 | 60% | 0.601 | 69% | 0.687 | S | S | * | * | trans | -146.7 | 99.4 | 174.1 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | K1672 | S1670-K1672 VanDerWaalsContact CA-N 3.25Å; S1670-K1672 WeakPolarHBondContact CB-O 3.1Å | ||
| 1671 | D | 37.8 | Very low | 41.4 | Very low | 179 Ų | 179 | 131.1 Ų | 131.1 | 96% | 0.957 | 69% | 0.694 | S | S | * | * | -58.2 | 84 | 59.1 | -75.2 | -54.1 | 0 | 0 | 0 | 119 | |||||
| 1672 | K | 26.8 | Very low | 40.2 | Very low | 255 Ų | 255 | 135.8 Ų | 135.8 | 100% | 1.109 | 71% | 0.707 | S | S | * | * | trans | -171.6 | 0 | 155 | -121.5 | -175.5 | -179.9 | -177 | 0 | 110.2 | S1670 | S1670-K1672 VanDerWaalsContact CA-N 3.25Å; S1670-K1672 WeakPolarHBondContact CB-O 3.1Å |
Retrieved 1,672 of 1,672 residues in 1226.8 ms
(Link to these results)