| 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 | 43 | Very low | 72.7 | Confident | 132 Ų | 132 | 31.1 Ų | 31.1 | 65% | 0.65 | 15% | 0.154 | S | C | * | . | 0 | 125.5 | 0 | 166 | 176.1 | 135.2 | 0 | 0 | 105.5 | R3 | M1-R3 PolarHBondContact O-N 3.49Å; M1-R3 VanDerWaalsContact O-N 3.13Å | |||
| 2 | V | 51.3 | Low | 73.9 | Confident | 46 Ų | 46 | 28.5 Ų | 28.5 | 28% | 0.279 | 14% | 0.141 | S | C | . | . | trans | -65 | 117.4 | -177.7 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | L60 R73 L306 D307 | V2-L60 HydrophobicContact CG1-CD1 4.14Å; V2-R73 VanDerWaalsContact O-CZ 3.29Å; V2-R73 PolarHBondContact O-NH2 3.39Å; V2-L306 HydrophobicContact CG1-CD2 3.76Å; V2-D307 WeakPolarHBondContact CA-OD2 3.19Å | ||
| 3 | R | 64.2 | Low | 74.8 | Confident | 37 Ų | 37 | 30.7 Ų | 30.7 | 14% | 0.14 | 15% | 0.151 | C | C | . | . | trans | -104.9 | 151.1 | 175.4 | -66.4 | 176.5 | -164.8 | -121.7 | -6.5 | 109.4 | M1 D307 Q350 S351 D353 | M1-R3 PolarHBondContact O-N 3.49Å; M1-R3 VanDerWaalsContact O-N 3.13Å; R3-D307 PolarHBondContact N-OD2 3.29Å; R3-Q350 PolarHBondContact NH2-O 2.77Å; R3-S351 VanDerWaalsContact CZ-CB 3.46Å; R3-S351 VanDerWaalsContact NH2-CB 3.34Å; R3-D353 IonicContact CZ-OD2 3.62Å; R3-D353 VanDerWaalsContact CZ-OD2 3.24Å; R3-D353 IonicContact NE-OD2 2.72Å; R3-D353 PolarHBondContact NE-OD2 2.65Å; R3-D353 IonicContact NH2-OD2 3.62Å; R3-D353 PolarHBondContact NH2-OD2 2.92Å | ||
| 4 | L | 72.8 | Confident | 75.2 | Confident | 16 Ų | 16 | 30.1 Ų | 30.1 | 8% | 0.084 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 123.7 | 164.7 | -80.9 | 152.3 | 0 | 0 | 0 | 107 | L60 F154 L304 F305 L338 | L4-L60 HydrophobicContact CD1-CB 3.86Å; L4-L60 HydrophobicContact CD1-CD1 4.09Å; L4-L60 HydrophobicContact CG-CD1 4.09Å; L4-F154 HydrophobicContact CD1-CB 3.67Å; L4-F154 HydrophobicContact CD1-CD1 4.36Å; L4-F154 HydrophobicContact CD1-CG 4.04Å; L4-F154 HydrophobicContact CD2-CB 4.03Å; L4-F154 HydrophobicContact CD2-CD1 3.8Å; L4-F154 HydrophobicContact CD2-CD2 3.55Å; L4-F154 HydrophobicContact CD2-CE1 4.08Å; L4-F154 HydrophobicContact CD2-CE2 3.83Å; L4-F154 HydrophobicContact CD2-CG 3.5Å; L4-F154 HydrophobicContact CD2-CZ 4.08Å; L4-F154 HydrophobicContact CG-CB 4.49Å; L4-F154 HydrophobicContact CG-CG 4.36Å; L4-L304 HydrophobicContact CD2-CB 4.29Å; L4-L304 HydrophobicContact CD2-CD2 4.35Å; L4-F305 WeakPolarHBondContact CA-O 3.47Å; L4-L338 HydrophobicContact CB-CB 4.13Å; L4-L338 HydrophobicContact CB-CD2 4.2Å; L4-L338 HydrophobicContact CD1-CD2 4.42Å; L4-L338 WeakPolarHBondContact O-CB 3.28Å; L4-L338 PolarHBondContact O-N 3.49Å |
| 5 | L | 72.3 | Confident | 75.2 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 128.2 | 169.5 | -57.3 | 176.6 | 0 | 0 | 0 | 107.5 | V8 L304 F305 Y310 R335 | L5-V8 HydrophobicContact CD1-CG2 4.37Å; L5-L304 WeakPolarHBondContact O-CA 3.14Å; L5-F305 HydrophobicContact CB-CB 4.25Å; L5-F305 HydrophobicContact CB-CD2 4.46Å; L5-F305 PolarHBondContact N-O 3.48Å; L5-F305 PolarHBondContact O-N 2.83Å; L5-Y310 HydrophobicContact CD1-CD2 4.24Å; L5-Y310 HydrophobicContact CD1-CG 4.37Å; L5-R335 HydrophobicContact CD1-CG 4.25Å; L5-R335 HydrophobicContact CD2-CB 3.91Å; L5-R335 HydrophobicContact CD2-CG 4.36Å |
| 6 | E | 76.9 | Confident | 75.5 | Confident | 77 Ų | 77 | 37.5 Ų | 37.5 | 36% | 0.36 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -42.1 | 173.4 | -172.1 | -179.9 | -177.2 | 0 | 0 | 109.6 | G303 C336 L338 | E6-G303 CarbonylContact C-O 3.49Å; E6-G303 WeakPolarHBondContact CA-O 3.46Å; E6-G303 CarbonylContact O-C 3.58Å; E6-G303 PolarHBondContact O-N 3.14Å; E6-C336 PolarHBondContact N-O 3.01Å; E6-L338 HydrophobicContact CB-CB 4.32Å; E6-L338 HydrophobicContact CB-CD1 3.93Å; E6-L338 HydrophobicContact CG-CD1 3.98Å |
| 7 | N | 80.3 | Confident | 75.5 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 153 | -178.2 | -44.4 | -69.9 | 0 | 0 | 0 | 112.3 | Y300 L301 S302 C336 | N7-Y300 HydrophobicContact CB-CE2 3.89Å; N7-Y300 PolarHBondContact ND2-OH 3.2Å; N7-Y300 VanDerWaalsContact ND2-OH 3.15Å; N7-Y300 PolarHBondContact OD1-OH 2.92Å; N7-L301 CarbonylContact C-O 3.56Å; N7-L301 WeakPolarHBondContact CA-O 3.21Å; N7-S302 WeakPolarHBondContact OD1-CB 3.48Å; N7-C336 HydrophobicContact CB-CB 3.83Å; N7-C336 PolarHBondContact N-O 3.28Å; N7-C336 WeakPolarHBondContact O-CB 3.38Å; N7-C336 PolarHBondContact O-N 3.46Å |
| 8 | V | 80.5 | Confident | 75.7 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 128.2 | 166.2 | -175.1 | 0 | 0 | 0 | 0 | 107.8 | L5 F10 L301 Y310 C334 | L5-V8 HydrophobicContact CD1-CG2 4.37Å; V8-F10 HydrophobicContact CB-CE2 4.05Å; V8-F10 HydrophobicContact CG1-CD2 4.19Å; V8-F10 HydrophobicContact CG1-CE2 3.51Å; V8-F10 HydrophobicContact CG1-CZ 3.78Å; V8-L301 HydrophobicContact CB-CB 4.19Å; V8-L301 HydrophobicContact CB-CD2 4.22Å; V8-L301 HydrophobicContact CG2-CD2 4.33Å; V8-L301 PolarHBondContact N-O 3.16Å; V8-L301 WeakPolarHBondContact O-CB 3.41Å; V8-L301 PolarHBondContact O-N 2.86Å; V8-Y310 HydrophobicContact CG1-CD2 4.04Å; V8-Y310 HydrophobicContact CG1-CE2 3.93Å; V8-Y310 HydrophobicContact CG2-CD2 4.09Å; V8-C334 WeakPolarHBondContact CA-O 3.12Å |
| 9 | I | 83.7 | Confident | 76.1 | Confident | 11 Ų | 11 | 40.3 Ų | 40.3 | 6% | 0.056 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 128.8 | -179.7 | -52.4 | -177.9 | 0 | 0 | 0 | 108.4 | A249 I298 Y300 M333 C334 | I9-A249 HydrophobicContact CB-CB 4.49Å; I9-A249 HydrophobicContact CD1-CB 4.18Å; I9-A249 HydrophobicContact CG2-CB 4Å; I9-I298 HydrophobicContact CG2-CG2 4.35Å; I9-Y300 HydrophobicContact CD1-CD2 4.34Å; I9-Y300 HydrophobicContact CD1-CE2 4.3Å; I9-Y300 HydrophobicContact CG1-CD2 3.94Å; I9-Y300 HydrophobicContact CG1-CE2 4.15Å; I9-M333 CarbonylContact O-C 3.54Å; I9-M333 WeakPolarHBondContact O-CA 3.02Å; I9-C334 PolarHBondContact N-O 3.27Å; I9-C334 PolarHBondContact O-N 2.77Å |
| 10 | F | 87.6 | Confident | 76.4 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.4 | 171.9 | -52.7 | -112.4 | 0 | 0 | 0 | 110.2 | V8 V21 I298 I299 L301 L313 I317 V331 Y332 M333 | V8-F10 HydrophobicContact CB-CE2 4.05Å; V8-F10 HydrophobicContact CG1-CD2 4.19Å; V8-F10 HydrophobicContact CG1-CE2 3.51Å; V8-F10 HydrophobicContact CG1-CZ 3.78Å; F10-V21 HydrophobicContact CD1-CG2 4.25Å; F10-V21 HydrophobicContact CD2-CG1 4.42Å; F10-V21 HydrophobicContact CE1-CG2 4.11Å; F10-V21 HydrophobicContact CE2-CG1 4.09Å; F10-V21 HydrophobicContact CZ-CG1 4.22Å; F10-V21 HydrophobicContact CZ-CG2 4.45Å; F10-I298 CarbonylContact O-C 3.55Å; F10-I298 VanDerWaalsContact O-CA 3.29Å; F10-I298 WeakPolarHBondContact O-CA 3.43Å; F10-I299 HydrophobicContact CB-CB 3.95Å; F10-I299 HydrophobicContact CB-CD1 4.17Å; F10-I299 HydrophobicContact CB-CG1 4.37Å; F10-I299 HydrophobicContact CD2-CB 4.16Å; F10-I299 HydrophobicContact CD2-CG2 4.37Å; F10-I299 HydrophobicContact CG-CB 4.36Å; F10-I299 PolarHBondContact N-O 3.26Å; F10-I299 PolarHBondContact O-N 3.22Å; F10-L301 HydrophobicContact CE2-CB 4.39Å; F10-L313 HydrophobicContact CZ-CB 4.45Å; F10-L313 HydrophobicContact CZ-CD1 4.12Å; F10-L313 HydrophobicContact CZ-CD2 4.13Å; F10-L313 HydrophobicContact CZ-CG 4.46Å; F10-I317 HydrophobicContact CE1-CD1 4.47Å; F10-I317 HydrophobicContact CE1-CG1 4.24Å; F10-V331 HydrophobicContact CD1-CG1 4.49Å; F10-Y332 CarbonylContact C-O 3.56Å; F10-Y332 WeakPolarHBondContact CA-O 3.44Å; F10-M333 HydrophobicContact CD1-CE 4.35Å; F10-M333 HydrophobicContact CD1-CG 3.47Å; F10-M333 VanDerWaalsContact CD1-CG 3.47Å; F10-M333 HydrophobicContact CD1-SD 4.02Å; F10-M333 HydrophobicContact CE1-CE 3.44Å; F10-M333 VanDerWaalsContact CE1-CE 3.44Å; F10-M333 HydrophobicContact CE1-CG 3.58Å; F10-M333 HydrophobicContact CE1-SD 3.57Å; F10-M333 VanDerWaalsContact CE1-SD 3.57Å; F10-M333 HydrophobicContact CG-CG 4.35Å; F10-M333 HydrophobicContact CZ-CE 3.82Å |
| 11 | I | 86.6 | Confident | 76.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 125.6 | 167.9 | -61.8 | 160.8 | 0 | 0 | 0 | 107.1 | L245 L248 A249 L296 K297 I298 V331 Y332 | I11-L245 HydrophobicContact CD1-CD2 4.37Å; I11-L245 WeakPolarHBondContact CD1-O 3.13Å; I11-L245 HydrophobicContact CG2-CD2 4.26Å; I11-L248 HydrophobicContact CD1-CB 4.09Å; I11-L248 HydrophobicContact CD1-CD2 3.9Å; I11-L248 HydrophobicContact CD1-CG 4.04Å; I11-L248 HydrophobicContact CG1-CD2 4.4Å; I11-L248 HydrophobicContact CG2-CD2 4.03Å; I11-A249 HydrophobicContact CD1-CB 4.03Å; I11-L296 HydrophobicContact CG2-CD1 4.48Å; I11-L296 HydrophobicContact CG2-CD2 3.63Å; I11-L296 HydrophobicContact CG2-CG 4.47Å; I11-K297 WeakPolarHBondContact CA-O 3.47Å; I11-I298 HydrophobicContact CG1-CG1 4.25Å; I11-I298 HydrophobicContact CG1-CG2 4.49Å; I11-V331 WeakPolarHBondContact O-CA 3.4Å; I11-Y332 HydrophobicContact CB-CD1 4.32Å; I11-Y332 HydrophobicContact CD1-CD1 3.75Å; I11-Y332 HydrophobicContact CD1-CE1 4.16Å; I11-Y332 HydrophobicContact CG1-CD1 4.23Å; I11-Y332 PolarHBondContact N-O 2.99Å; I11-Y332 PolarHBondContact O-N 3.09Å |
| 12 | T | 87.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 150.3 | -176.8 | -173.6 | 0 | 0 | 0 | 0 | 113 | H14 A17 K297 I299 L330 | T12-H14 WeakPolarHBondContact OG1-CB 3.17Å; T12-H14 PolarHBondContact OG1-N 2.83Å; T12-A17 HydrophobicContact CG2-CB 3.85Å; T12-K297 HydrophobicContact CG2-CB 4.19Å; T12-K297 PolarHBondContact N-O 2.96Å; T12-K297 PolarHBondContact O-N 2.78Å; T12-I299 HydrophobicContact CG2-CD1 4.42Å; T12-L330 VanDerWaalsContact CA-O 3.3Å; T12-L330 WeakPolarHBondContact CA-O 3.35Å; T12-L330 PolarHBondContact OG1-O 3.04Å |
| 13 | E | 85.1 | Confident | 80.3 | Confident | 57 Ų | 57 | 36.2 Ų | 36.2 | 27% | 0.266 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -92.9 | -8.1 | 166 | -63 | -166.9 | 111.1 | 0 | 0 | 112.7 | E15 L293 E294 K295 L296 | E13-E15 PolarHBondContact O-N 2.91Å; E13-L293 HydrophobicContact CG-CD2 4.3Å; E13-L293 WeakPolarHBondContact OE1-CA 3.41Å; E13-L293 WeakPolarHBondContact OE2-CD2 3.43Å; E13-E294 PolarHBondContact OE1-N 3.15Å; E13-K295 PolarHBondContact OE1-N 3.19Å; E13-L296 HydrophobicContact CG-CD2 3.69Å; E13-L296 HydrophobicContact CG-CG 4.38Å |
| 14 | H | 80.1 | Confident | 81.2 | Confident | 23 Ų | 23 | 35.2 Ų | 35.2 | 11% | 0.106 | 18% | 0.178 | C | C | . | . | trans | -77.8 | 112.7 | -175.6 | -169.6 | -7.9 | 0 | 0 | 0 | 110.7 | T12 S16 A17 S324 E329 | T12-H14 WeakPolarHBondContact OG1-CB 3.17Å; T12-H14 PolarHBondContact OG1-N 2.83Å; H14-S16 VanDerWaalsContact C-N 3.29Å; H14-S16 PolarHBondContact CE1-OG 3.47Å; H14-S16 PolarHBondContact ND1-N 3.09Å; H14-S16 PolarHBondContact ND1-OG 2.72Å; H14-S16 PolarHBondContact NE2-OG 3.41Å; H14-S16 PolarHBondContact O-N 2.98Å; H14-A17 HydrophobicContact CB-CB 4.06Å; H14-A17 VanDerWaalsContact O-CB 3.32Å; H14-A17 WeakPolarHBondContact O-CB 3.45Å; H14-A17 PolarHBondContact O-N 2.62Å; H14-S324 VanDerWaalsContact NE2-CB 3.28Å; H14-S324 WeakPolarHBondContact NE2-CB 3.38Å; H14-E329 IonicContact CD2-OE1 3.01Å; H14-E329 PolarHBondContact CD2-OE1 2.83Å; H14-E329 IonicContact CD2-OE2 3.17Å; H14-E329 PolarHBondContact CD2-OE2 3.36Å; H14-E329 IonicContact CE1-OE1 2.97Å; H14-E329 IonicContact CG-OE1 3.24Å; H14-E329 VanDerWaalsContact CG-OE1 3.24Å; H14-E329 IonicContact ND1-OE1 3.62Å; H14-E329 IonicContact NE2-OE1 3.36Å; H14-E329 PolarHBondContact NE2-OE1 3.37Å; H14-E329 IonicContact NE2-OE2 3.68Å | ||
| 15 | E | 76.4 | Confident | 81.7 | Confident | 138 Ų | 138 | 34.8 Ų | 34.8 | 65% | 0.645 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -60.1 | -34.5 | -175.4 | -76.3 | -165.2 | 162.5 | 0 | 0 | 114.7 | E13 K297 | E13-E15 PolarHBondContact O-N 2.91Å; E15-K297 PolarHBondContact O-NZ 3.02Å |
| 16 | S | 79.2 | Confident | 82.2 | Confident | 40 Ų | 40 | 41.4 Ų | 41.4 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -77.9 | -22.6 | -177.8 | 77.8 | 0 | 0 | 0 | 0 | 112.6 | H14 A18 K19 N20 | H14-S16 VanDerWaalsContact C-N 3.29Å; H14-S16 PolarHBondContact CE1-OG 3.47Å; H14-S16 PolarHBondContact ND1-N 3.09Å; H14-S16 PolarHBondContact ND1-OG 2.72Å; H14-S16 PolarHBondContact NE2-OG 3.41Å; H14-S16 PolarHBondContact O-N 2.98Å; S16-A18 PolarHBondContact O-N 3.18Å; S16-K19 PolarHBondContact O-N 3.07Å; S16-N20 PolarHBondContact O-N 2.68Å; S16-N20 PolarHBondContact O-ND2 2.84Å |
| 17 | A | 76.6 | Confident | 82.4 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.3 | -40.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | T12 H14 K19 N20 V21 M320 | T12-A17 HydrophobicContact CG2-CB 3.85Å; H14-A17 HydrophobicContact CB-CB 4.06Å; H14-A17 VanDerWaalsContact O-CB 3.32Å; H14-A17 WeakPolarHBondContact O-CB 3.45Å; H14-A17 PolarHBondContact O-N 2.62Å; A17-K19 PolarHBondContact O-N 3.39Å; A17-N20 PolarHBondContact O-N 3.38Å; A17-V21 WeakPolarHBondContact O-CB 3.19Å; A17-V21 VanDerWaalsContact O-CG2 3.23Å; A17-V21 WeakPolarHBondContact O-CG2 3.07Å; A17-V21 PolarHBondContact O-N 2.93Å; A17-M320 WeakPolarHBondContact CA-SD 3.49Å; A17-M320 HydrophobicContact CB-CE 3.71Å; A17-M320 HydrophobicContact CB-SD 3.83Å |
| 18 | A | 78.4 | Confident | 82.5 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 5% | 0.05 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.2 | -49 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S16 N20 V21 I22 V193 K297 I299 | S16-A18 PolarHBondContact O-N 3.18Å; A18-N20 PolarHBondContact O-N 3.08Å; A18-V21 PolarHBondContact O-N 3.34Å; A18-I22 WeakPolarHBondContact O-CB 3.26Å; A18-I22 WeakPolarHBondContact O-CD1 3.44Å; A18-I22 WeakPolarHBondContact O-CG1 3.13Å; A18-I22 PolarHBondContact O-N 2.85Å; A18-V193 HydrophobicContact CB-CG1 3.94Å; A18-V193 HydrophobicContact CB-CG2 4.31Å; A18-K297 HydrophobicContact CB-CD 4.02Å; A18-I299 HydrophobicContact CB-CD1 4.15Å |
| 19 | K | 83 | Confident | 82.5 | Confident | 158 Ų | 158 | 49 Ų | 49 | 69% | 0.687 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64.5 | -42.5 | -179.7 | -68.5 | -176.9 | 178.7 | 179.2 | 0 | 111.5 | S16 A17 T23 | S16-K19 PolarHBondContact O-N 3.07Å; A17-K19 PolarHBondContact O-N 3.39Å; K19-T23 WeakPolarHBondContact O-CB 3.06Å; K19-T23 PolarHBondContact O-N 2.82Å; K19-T23 PolarHBondContact O-OG1 3.38Å |
| 20 | N | 83 | Confident | 82.6 | Confident | 52 Ų | 52 | 51 Ų | 51 | 28% | 0.278 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65 | -46.1 | 179.1 | -73.8 | -36.6 | 0 | 0 | 0 | 111.5 | S16 A17 A18 T23 V24 M320 | S16-N20 PolarHBondContact O-N 2.68Å; S16-N20 PolarHBondContact O-ND2 2.84Å; A17-N20 PolarHBondContact O-N 3.38Å; A18-N20 PolarHBondContact O-N 3.08Å; N20-T23 PolarHBondContact O-N 2.82Å; N20-V24 VanDerWaalsContact O-CG2 3.29Å; N20-V24 WeakPolarHBondContact O-CG2 3.4Å; N20-V24 PolarHBondContact O-N 2.83Å; N20-M320 HydrophobicContact CB-SD 4.08Å; N20-M320 WeakPolarHBondContact ND2-CG 3.26Å; N20-M320 PolarHBondContact ND2-SD 2.78Å |
| 21 | V | 82.8 | Confident | 82.5 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 177.3 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | F10 A17 A18 T23 V24 V25 I299 I317 | F10-V21 HydrophobicContact CD1-CG2 4.25Å; F10-V21 HydrophobicContact CD2-CG1 4.42Å; F10-V21 HydrophobicContact CE1-CG2 4.11Å; F10-V21 HydrophobicContact CE2-CG1 4.09Å; F10-V21 HydrophobicContact CZ-CG1 4.22Å; F10-V21 HydrophobicContact CZ-CG2 4.45Å; A17-V21 WeakPolarHBondContact O-CB 3.19Å; A17-V21 VanDerWaalsContact O-CG2 3.23Å; A17-V21 WeakPolarHBondContact O-CG2 3.07Å; A17-V21 PolarHBondContact O-N 2.93Å; A18-V21 PolarHBondContact O-N 3.34Å; V21-T23 VanDerWaalsContact C-N 3.3Å; V21-T23 PolarHBondContact O-N 2.89Å; V21-V24 PolarHBondContact O-N 2.97Å; V21-V25 HydrophobicContact CG1-CG2 4.19Å; V21-V25 VanDerWaalsContact O-CG2 3.26Å; V21-V25 WeakPolarHBondContact O-CG2 3.37Å; V21-V25 PolarHBondContact O-N 2.86Å; V21-I299 HydrophobicContact CB-CD1 4.26Å; V21-I299 HydrophobicContact CG1-CG2 3.98Å; V21-I299 HydrophobicContact CG2-CD1 4.22Å; V21-I317 HydrophobicContact CG2-CD1 3.75Å |
| 22 | I | 84.1 | Confident | 82.8 | Confident | 53 Ų | 53 | 51.3 Ų | 51.3 | 27% | 0.272 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -54.3 | -48.6 | 175.5 | -70.2 | 162.9 | 0 | 0 | 0 | 110.6 | A18 V24 V25 E26 C191 V193 | A18-I22 WeakPolarHBondContact O-CB 3.26Å; A18-I22 WeakPolarHBondContact O-CD1 3.44Å; A18-I22 WeakPolarHBondContact O-CG1 3.13Å; A18-I22 PolarHBondContact O-N 2.85Å; I22-V24 VanDerWaalsContact C-N 3.3Å; I22-V24 PolarHBondContact O-N 2.7Å; I22-V25 PolarHBondContact O-N 3.36Å; I22-E26 HydrophobicContact CG2-CG 4.32Å; I22-E26 WeakPolarHBondContact O-CG 3.28Å; I22-E26 PolarHBondContact O-N 2.86Å; I22-C191 HydrophobicContact CG1-CB 4.35Å; I22-C191 VanDerWaalsContact CG1-SG 3.59Å; I22-V193 HydrophobicContact CD1-CG2 3.79Å; I22-V193 HydrophobicContact CG1-CG2 4.15Å |
| 23 | T | 85 | Confident | 82.9 | Confident | 67 Ų | 67 | 52.3 Ų | 52.3 | 41% | 0.411 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62 | -38.4 | -177.4 | -54.2 | 0 | 0 | 0 | 0 | 112 | K19 N20 V21 Q27 | K19-T23 WeakPolarHBondContact O-CB 3.06Å; K19-T23 PolarHBondContact O-N 2.82Å; K19-T23 PolarHBondContact O-OG1 3.38Å; N20-T23 PolarHBondContact O-N 2.82Å; V21-T23 VanDerWaalsContact C-N 3.3Å; V21-T23 PolarHBondContact O-N 2.89Å; T23-Q27 WeakPolarHBondContact O-CG 3.32Å; T23-Q27 PolarHBondContact O-N 3.28Å |
| 24 | V | 84 | Confident | 83.3 | Confident | 16 Ų | 16 | 49.6 Ų | 49.6 | 10% | 0.097 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.5 | -44.3 | 175.9 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | N20 V21 I22 E26 Q27 F28 L313 K316 | N20-V24 VanDerWaalsContact O-CG2 3.29Å; N20-V24 WeakPolarHBondContact O-CG2 3.4Å; N20-V24 PolarHBondContact O-N 2.83Å; V21-V24 PolarHBondContact O-N 2.97Å; I22-V24 VanDerWaalsContact C-N 3.3Å; I22-V24 PolarHBondContact O-N 2.7Å; V24-E26 VanDerWaalsContact C-N 3.29Å; V24-E26 PolarHBondContact O-N 3.19Å; V24-Q27 WeakPolarHBondContact O-CA 3.31Å; V24-Q27 WeakPolarHBondContact O-CB 3.42Å; V24-Q27 PolarHBondContact O-N 3.43Å; V24-F28 HydrophobicContact CG1-CD1 4.43Å; V24-F28 HydrophobicContact CG1-CE1 3.74Å; V24-F28 HydrophobicContact CG1-CZ 3.94Å; V24-F28 WeakPolarHBondContact O-CD1 3.34Å; V24-F28 PolarHBondContact O-N 2.84Å; V24-L313 HydrophobicContact CB-CD2 4.19Å; V24-L313 HydrophobicContact CG1-CD2 3.69Å; V24-L313 HydrophobicContact CG1-CG 4.35Å; V24-K316 HydrophobicContact CG2-CB 4.28Å; V24-K316 HydrophobicContact CG2-CG 3.65Å |
| 25 | V | 81.9 | Confident | 83.7 | Confident | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.7 | -37.2 | -180 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | V21 I22 Q27 F28 P189 C191 L301 | V21-V25 HydrophobicContact CG1-CG2 4.19Å; V21-V25 VanDerWaalsContact O-CG2 3.26Å; V21-V25 WeakPolarHBondContact O-CG2 3.37Å; V21-V25 PolarHBondContact O-N 2.86Å; I22-V25 PolarHBondContact O-N 3.36Å; V25-Q27 PolarHBondContact O-N 2.87Å; V25-F28 HydrophobicContact CG2-CD2 4.46Å; V25-F28 HydrophobicContact CG2-CE2 4.49Å; V25-F28 VanDerWaalsContact O-CB 3.29Å; V25-F28 WeakPolarHBondContact O-CB 3.48Å; V25-F28 PolarHBondContact O-N 3.21Å; V25-P189 HydrophobicContact CG1-CB 3.81Å; V25-C191 HydrophobicContact CB-CB 4.43Å; V25-C191 HydrophobicContact CG1-CB 4.1Å; V25-L301 HydrophobicContact CB-CD1 4.06Å; V25-L301 HydrophobicContact CG1-CD1 3.37Å; V25-L301 HydrophobicContact CG2-CD1 3.44Å; V25-L301 VanDerWaalsContact CG2-CD1 3.44Å; V25-L301 HydrophobicContact CG2-CD2 3.78Å; V25-L301 HydrophobicContact CG2-CG 4.17Å |
| 26 | E | 82.5 | Confident | 84.2 | Confident | 141 Ų | 141 | 51 Ų | 51 | 66% | 0.659 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.7 | -23.7 | 174.2 | -74.7 | 177.8 | 166.8 | 0 | 0 | 113 | I22 V24 | I22-E26 HydrophobicContact CG2-CG 4.32Å; I22-E26 WeakPolarHBondContact O-CG 3.28Å; I22-E26 PolarHBondContact O-N 2.86Å; V24-E26 VanDerWaalsContact C-N 3.29Å; V24-E26 PolarHBondContact O-N 3.19Å |
| 27 | Q | 82.9 | Confident | 84.7 | Confident | 150 Ų | 150 | 49.3 Ų | 49.3 | 70% | 0.701 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -84.7 | -12.6 | 173.9 | -64.8 | 171.3 | 5.7 | 0 | 0 | 112.6 | T23 V24 V25 K29 | T23-Q27 WeakPolarHBondContact O-CG 3.32Å; T23-Q27 PolarHBondContact O-N 3.28Å; V24-Q27 WeakPolarHBondContact O-CA 3.31Å; V24-Q27 WeakPolarHBondContact O-CB 3.42Å; V24-Q27 PolarHBondContact O-N 3.43Å; V25-Q27 PolarHBondContact O-N 2.87Å; Q27-K29 PolarHBondContact O-N 2.97Å |
| 28 | F | 80.9 | Confident | 85.4 | Confident | 24 Ų | 24 | 52 Ų | 52 | 11% | 0.105 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -68.1 | 131.9 | 175.3 | -70.5 | -11.2 | 0 | 0 | 0 | 110.8 | V24 V25 P189 L301 F305 C309 L313 | V24-F28 HydrophobicContact CG1-CD1 4.43Å; V24-F28 HydrophobicContact CG1-CE1 3.74Å; V24-F28 HydrophobicContact CG1-CZ 3.94Å; V24-F28 WeakPolarHBondContact O-CD1 3.34Å; V24-F28 PolarHBondContact O-N 2.84Å; V25-F28 HydrophobicContact CG2-CD2 4.46Å; V25-F28 HydrophobicContact CG2-CE2 4.49Å; V25-F28 VanDerWaalsContact O-CB 3.29Å; V25-F28 WeakPolarHBondContact O-CB 3.48Å; V25-F28 PolarHBondContact O-N 3.21Å; F28-P189 HydrophobicContact CB-CG 3.94Å; F28-L301 HydrophobicContact CE2-CD2 4.22Å; F28-F305 AromaticContact CD2-CD1 3.87Å; F28-F305 HydrophobicContact CD2-CD1 3.87Å; F28-F305 AromaticContact CD2-CE1 3.73Å; F28-F305 HydrophobicContact CD2-CE1 3.73Å; F28-F305 HydrophobicContact CE2-CD1 4.18Å; F28-F305 HydrophobicContact CE2-CE1 4.3Å; F28-C309 HydrophobicContact CE1-CB 4.31Å; F28-C309 HydrophobicContact CE2-CB 4.04Å; F28-C309 HydrophobicContact CZ-CB 3.8Å; F28-L313 HydrophobicContact CE2-CD1 3.77Å; F28-L313 HydrophobicContact CE2-CG 4.19Å; F28-L313 HydrophobicContact CZ-CD1 3.81Å; F28-L313 HydrophobicContact CZ-CD2 4.27Å; F28-L313 HydrophobicContact CZ-CG 3.76Å |
| 29 | K | 81.5 | Confident | 86 | Confident | 82 Ų | 82 | 51.9 Ų | 51.9 | 36% | 0.357 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 150.4 | 175.1 | 62.1 | -175.5 | 173 | -178.7 | 0 | 111.1 | Q27 D156 | Q27-K29 PolarHBondContact O-N 2.97Å; K29-D156 VanDerWaalsContact CE-CG 3.49Å; K29-D156 WeakPolarHBondContact CE-OD1 3.47Å; K29-D156 VanDerWaalsContact CE-OD2 3.26Å; K29-D156 WeakPolarHBondContact CE-OD2 3.35Å; K29-D156 IonicContact NZ-OD1 3.34Å; K29-D156 PolarHBondContact NZ-OD1 3.23Å; K29-D156 IonicContact NZ-OD2 3.54Å; K29-D156 PolarHBondContact NZ-OD2 2.71Å |
| 30 | N | 85.1 | Confident | 86.4 | Confident | 52 Ų | 52 | 45 Ų | 45 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -63.1 | 144.1 | 169 | -62.8 | -21.8 | 0 | 0 | 0 | 110.6 | S172 V186 | N30-S172 PolarHBondContact O-OG 3.41Å; N30-V186 HydrophobicContact CB-CG1 3.58Å |
| 31 | S | 86.7 | Confident | 86.8 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 141.1 | 175 | -71 | 0 | 0 | 0 | 0 | 110 | V186 I187 L304 | S31-V186 CarbonylContact O-C 3.55Å; S31-V186 WeakPolarHBondContact O-CA 3.42Å; S31-I187 PolarHBondContact N-O 3.44Å; S31-I187 PolarHBondContact O-N 3.09Å; S31-L304 PolarHBondContact OG-O 2.57Å |
| 32 | S | 90.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 135.2 | 179.2 | -66.4 | 0 | 0 | 0 | 0 | 110.8 | V155 A176 L185 | S32-V155 PolarHBondContact O-N 3Å; S32-A176 VanDerWaalsContact CB-CB 3.48Å; S32-L185 CarbonylContact C-O 3.58Å; S32-L185 WeakPolarHBondContact CA-O 3.44Å |
| 33 | I | 91.5 | Very high | 87.9 | Confident | 20 Ų | 20 | 40.8 Ų | 40.8 | 10% | 0.103 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 124.4 | 171.5 | -58.2 | 178.7 | 0 | 0 | 0 | 108.9 | I62 P152 F153 H184 L185 I187 L304 | I33-I62 HydrophobicContact CB-CD1 4.21Å; I33-I62 HydrophobicContact CD1-CD1 3.65Å; I33-I62 HydrophobicContact CG1-CD1 3.78Å; I33-I62 HydrophobicContact CG2-CD1 3.46Å; I33-I62 VanDerWaalsContact CG2-CD1 3.46Å; I33-P152 HydrophobicContact CG2-CB 4.01Å; I33-F153 CarbonylContact C-O 3.55Å; I33-F153 VanDerWaalsContact CA-O 3.29Å; I33-F153 WeakPolarHBondContact CA-O 3.17Å; I33-H184 CarbonylContact O-C 3.49Å; I33-H184 WeakPolarHBondContact O-CA 3.48Å; I33-H184 VanDerWaalsContact O-CB 3.29Å; I33-H184 WeakPolarHBondContact O-CB 3.49Å; I33-L185 HydrophobicContact CB-CB 4.32Å; I33-L185 PolarHBondContact N-O 3.29Å; I33-L185 PolarHBondContact O-N 3.45Å; I33-I187 HydrophobicContact CD1-CD1 3.39Å; I33-I187 HydrophobicContact CD1-CG1 4.2Å; I33-I187 HydrophobicContact CG1-CD1 4.16Å; I33-L304 HydrophobicContact CD1-CD1 3.63Å; I33-L304 HydrophobicContact CG1-CD1 3.81Å |
| 34 | I | 92.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 136.5 | 163.9 | 61.5 | 177 | 0 | 0 | 0 | 109 | L37 P152 F153 V155 A176 L179 N180 H184 | I34-L37 HydrophobicContact CD1-CB 3.95Å; I34-L37 HydrophobicContact CD1-CD1 3.82Å; I34-L37 HydrophobicContact CD1-CG 4.41Å; I34-P152 CarbonylContact O-C 3.54Å; I34-P152 WeakPolarHBondContact O-CA 3.4Å; I34-F153 HydrophobicContact CD1-CB 4.06Å; I34-F153 HydrophobicContact CG1-CB 3.73Å; I34-F153 PolarHBondContact N-O 3.49Å; I34-F153 PolarHBondContact O-N 3.37Å; I34-V155 HydrophobicContact CB-CG2 4.47Å; I34-V155 HydrophobicContact CD1-CG2 3.86Å; I34-V155 HydrophobicContact CG1-CG2 3.81Å; I34-V155 HydrophobicContact CG2-CG2 4Å; I34-A176 HydrophobicContact CG2-CB 4.03Å; I34-L179 HydrophobicContact CD1-CB 3.98Å; I34-L179 HydrophobicContact CD1-CD1 4.3Å; I34-N180 HydrophobicContact CB-CB 3.77Å; I34-N180 HydrophobicContact CG2-CB 3.63Å; I34-H184 HydrophobicContact CG2-CB 4.07Å |
| 35 | I | 88.2 | Confident | 88.4 | Confident | 94 Ų | 94 | 44.8 Ų | 44.8 | 48% | 0.482 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -77.7 | -25 | -178.2 | 54.8 | 170.5 | 0 | 0 | 0 | 112.9 | N180 L185 | I35-N180 VanDerWaalsContact CG1-ND2 3.3Å; I35-N180 WeakPolarHBondContact CG1-ND2 3.43Å; I35-N180 PolarHBondContact N-ND2 2.74Å; I35-L185 HydrophobicContact CG2-CD1 4.5Å |
| 36 | Q | 87.4 | Confident | 88.8 | Confident | 97 Ų | 97 | 50.7 Ų | 50.7 | 45% | 0.453 | 24% | 0.244 | S | C | . | . | trans | -148.7 | 138 | -179.9 | -173.6 | 171.8 | 7.6 | 0 | 0 | 108.2 | N180 | Q36-N180 PolarHBondContact O-ND2 2.61Å; Q36-N180 PolarHBondContact O-OD1 3.46Å | ||
| 37 | L | 90.6 | Very high | 89.2 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | trans | -110.5 | 123.1 | 174.6 | 175.5 | 64 | 0 | 0 | 0 | 109.2 | I34 P39 L42 V59 L70 F153 L179 | I34-L37 HydrophobicContact CD1-CB 3.95Å; I34-L37 HydrophobicContact CD1-CD1 3.82Å; I34-L37 HydrophobicContact CD1-CG 4.41Å; L37-P39 VanDerWaalsContact O-CD 3.23Å; L37-P39 WeakPolarHBondContact O-CD 3.49Å; L37-L42 HydrophobicContact CD1-CD2 4.29Å; L37-L42 HydrophobicContact CD1-CG 4.43Å; L37-L42 HydrophobicContact CD2-CD1 4.13Å; L37-V59 HydrophobicContact CD2-CG1 4.5Å; L37-L70 HydrophobicContact CD2-CD2 3.88Å; L37-F153 HydrophobicContact CB-CD2 3.63Å; L37-F153 HydrophobicContact CB-CE2 3.73Å; L37-F153 HydrophobicContact CD2-CD1 4.33Å; L37-F153 HydrophobicContact CD2-CD2 3.92Å; L37-F153 HydrophobicContact CD2-CE1 4.16Å; L37-F153 HydrophobicContact CD2-CE2 3.75Å; L37-F153 HydrophobicContact CD2-CG 4.24Å; L37-F153 HydrophobicContact CD2-CZ 3.88Å; L37-F153 HydrophobicContact CG-CD2 4.43Å; L37-F153 HydrophobicContact CG-CE2 4.41Å; L37-L179 HydrophobicContact CD1-CB 4.5Å; L37-L179 HydrophobicContact CD1-CD2 4.2Å | ||
| 38 | D | 90.5 | Very high | 89.7 | Confident | 57 Ų | 57 | 36.8 Ų | 36.8 | 31% | 0.305 | 18% | 0.18 | S | C | . | . | trans | -79.8 | 106 | 156.6 | 180 | -6 | 0 | 0 | 0 | 107.9 | A40 K41 T134 | D38-A40 PolarHBondContact O-N 3.1Å; D38-A40 VanDerWaalsContact O-N 3.15Å; D38-A40 WeakPolarHBondContact OD1-CB 3.5Å; D38-A40 PolarHBondContact OD1-N 3.12Å; D38-K41 HydrophobicContact CB-CD 4.37Å; D38-K41 HydrophobicContact CB-CG 4.22Å; D38-K41 WeakPolarHBondContact O-CB 3.31Å; D38-K41 PolarHBondContact O-N 3Å; D38-K41 VanDerWaalsContact O-N 3.14Å; D38-T134 VanDerWaalsContact OD1-CG2 3.28Å; D38-T134 WeakPolarHBondContact OD1-CG2 3.35Å | ||
| 39 | P | 91.5 | Very high | 90.1 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.019 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -67.2 | -16.9 | -176.4 | 31.4 | -37.1 | 0 | 0 | 0 | 112.3 | L37 K41 L42 L70 F130 F133 L150 | L37-P39 VanDerWaalsContact O-CD 3.23Å; L37-P39 WeakPolarHBondContact O-CD 3.49Å; P39-K41 PolarHBondContact O-N 2.92Å; P39-L42 WeakPolarHBondContact O-CB 3.14Å; P39-L42 PolarHBondContact O-N 3.44Å; P39-L70 HydrophobicContact CB-CD1 4.16Å; P39-F130 HydrophobicContact CB-CB 4.01Å; P39-F130 HydrophobicContact CB-CD1 3.55Å; P39-F130 HydrophobicContact CB-CE1 4.2Å; P39-F130 HydrophobicContact CB-CG 3.94Å; P39-F130 HydrophobicContact CG-CB 4.2Å; P39-F130 HydrophobicContact CG-CD1 4.22Å; P39-F130 WeakPolarHBondContact O-CB 3.37Å; P39-F130 WeakPolarHBondContact O-CG 3.35Å; P39-F133 HydrophobicContact CG-CB 3.78Å; P39-F133 HydrophobicContact CG-CG 4.21Å; P39-L150 HydrophobicContact CB-CD1 3.93Å; P39-L150 HydrophobicContact CG-CD1 3.84Å |
| 40 | A | 90.5 | Very high | 90.3 | Very high | 13 Ų | 13 | 33.6 Ų | 33.6 | 11% | 0.107 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -64.4 | -31.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D38 L42 M43 K131 | D38-A40 PolarHBondContact O-N 3.1Å; D38-A40 VanDerWaalsContact O-N 3.15Å; D38-A40 WeakPolarHBondContact OD1-CB 3.5Å; D38-A40 PolarHBondContact OD1-N 3.12Å; A40-L42 PolarHBondContact O-N 2.75Å; A40-M43 PolarHBondContact O-N 2.77Å; A40-K131 HydrophobicContact CB-CG 4.1Å |
| 41 | K | 93 | Very high | 90.6 | Very high | 20 Ų | 20 | 32.2 Ų | 32.2 | 9% | 0.087 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -59.9 | -27.6 | 175.2 | -72.1 | -174.5 | 169.9 | -173.5 | 0 | 112.8 | D38 P39 M43 E44 F47 Y178 L179 D181 | D38-K41 HydrophobicContact CB-CD 4.37Å; D38-K41 HydrophobicContact CB-CG 4.22Å; D38-K41 WeakPolarHBondContact O-CB 3.31Å; D38-K41 PolarHBondContact O-N 3Å; D38-K41 VanDerWaalsContact O-N 3.14Å; P39-K41 PolarHBondContact O-N 2.92Å; K41-M43 PolarHBondContact O-N 3.21Å; K41-E44 WeakPolarHBondContact O-CB 3.47Å; K41-E44 PolarHBondContact O-N 3.42Å; K41-F47 VanDerWaalsContact O-CB 3.25Å; K41-F47 WeakPolarHBondContact O-CB 3.11Å; K41-Y178 PolarHBondContact NZ-O 2.72Å; K41-L179 HydrophobicContact CB-CD2 4.21Å; K41-L179 VanDerWaalsContact CD-O 3.26Å; K41-L179 WeakPolarHBondContact CD-O 3.35Å; K41-L179 PolarHBondContact NZ-O 2.89Å; K41-D181 IonicContact NZ-OD1 3.51Å; K41-D181 PolarHBondContact NZ-OD1 2.86Å; K41-D181 IonicContact NZ-OD2 2.71Å; K41-D181 PolarHBondContact NZ-OD2 3.01Å |
| 42 | L | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -66.5 | -21.5 | 176.9 | -57.6 | 178.2 | 0 | 0 | 0 | 112.8 | L37 P39 A40 F47 L70 I72 L179 | L37-L42 HydrophobicContact CD1-CD2 4.29Å; L37-L42 HydrophobicContact CD1-CG 4.43Å; L37-L42 HydrophobicContact CD2-CD1 4.13Å; P39-L42 WeakPolarHBondContact O-CB 3.14Å; P39-L42 PolarHBondContact O-N 3.44Å; A40-L42 PolarHBondContact O-N 2.75Å; L42-F47 HydrophobicContact CB-CD1 4.45Å; L42-F47 HydrophobicContact CB-CE1 4.32Å; L42-F47 HydrophobicContact CD2-CD1 4.45Å; L42-F47 HydrophobicContact CD2-CE1 3.84Å; L42-F47 HydrophobicContact CD2-CE2 3.92Å; L42-F47 HydrophobicContact CD2-CZ 3.54Å; L42-F47 WeakPolarHBondContact O-CD1 3.45Å; L42-L70 HydrophobicContact CD1-CD1 4Å; L42-L70 HydrophobicContact CD1-CD2 3.93Å; L42-L70 HydrophobicContact CD1-CG 4.49Å; L42-I72 HydrophobicContact CD1-CD1 4.06Å; L42-I72 HydrophobicContact CD2-CD1 3.81Å; L42-I72 HydrophobicContact CG-CD1 4.39Å; L42-L179 HydrophobicContact CD2-CD2 3.79Å |
| 43 | M | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -107.4 | 17.6 | 177.5 | -60.2 | -65.9 | 106.4 | 0 | 0 | 112.6 | A40 K41 L77 L111 F116 H123 L126 R127 F130 | A40-M43 PolarHBondContact O-N 2.77Å; K41-M43 PolarHBondContact O-N 3.21Å; M43-L77 HydrophobicContact CE-CD2 3.95Å; M43-L111 HydrophobicContact CE-CD1 4.22Å; M43-L111 HydrophobicContact CE-CD2 3.86Å; M43-F116 HydrophobicContact SD-CZ 4.25Å; M43-H123 PolarHBondContact O-NE2 2.9Å; M43-L126 HydrophobicContact CG-CB 4.01Å; M43-L126 HydrophobicContact SD-CB 3.5Å; M43-L126 VanDerWaalsContact SD-CB 3.5Å; M43-L126 HydrophobicContact SD-CD1 3.91Å; M43-L126 HydrophobicContact SD-CG 4.35Å; M43-R127 HydrophobicContact CB-CB 4.03Å; M43-R127 HydrophobicContact CB-CG 4.44Å; M43-R127 PolarHBondContact O-NE 2.97Å; M43-R127 PolarHBondContact O-NH2 2.94Å; M43-F130 HydrophobicContact CE-CE2 3.89Å; M43-F130 HydrophobicContact CG-CD2 3.4Å; M43-F130 HydrophobicContact CG-CE2 3.71Å; M43-F130 HydrophobicContact SD-CD2 4.37Å; M43-F130 HydrophobicContact SD-CE2 4.1Å |
| 44 | E | 92.7 | Very high | 90.8 | Very high | 74 Ų | 74 | 41.3 Ų | 41.3 | 35% | 0.346 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -78.9 | 149.8 | 168.3 | -75.2 | -178.3 | -166.9 | 0 | 0 | 110.7 | K41 Q46 F47 I48 Y178 | K41-E44 WeakPolarHBondContact O-CB 3.47Å; K41-E44 PolarHBondContact O-N 3.42Å; E44-Q46 VanDerWaalsContact C-N 3.26Å; E44-Q46 PolarHBondContact O-N 3.4Å; E44-F47 PolarHBondContact O-N 2.81Å; E44-I48 PolarHBondContact O-N 2.86Å; E44-Y178 WeakPolarHBondContact CB-OH 3.31Å; E44-Y178 PolarHBondContact OE2-OH 3.29Å |
| 45 | E | 87.2 | Confident | 90.6 | Very high | 93 Ų | 93 | 41.3 Ų | 41.3 | 44% | 0.435 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.2 | -38.3 | 179.4 | 178.6 | 161.4 | -159.3 | 0 | 0 | 111.4 | F47 I48 A49 R118 | E45-F47 VanDerWaalsContact C-N 3.32Å; E45-F47 PolarHBondContact O-N 2.87Å; E45-I48 PolarHBondContact O-N 2.74Å; E45-A49 HydrophobicContact CG-CB 4.3Å; E45-A49 WeakPolarHBondContact O-CA 3Å; E45-A49 WeakPolarHBondContact O-CB 3.48Å; E45-A49 PolarHBondContact O-N 3.05Å; E45-R118 WeakPolarHBondContact OE1-CD 3.38Å; E45-R118 IonicContact OE1-CZ 3.7Å; E45-R118 IonicContact OE1-NE 3.9Å; E45-R118 IonicContact OE1-NH1 3.19Å; E45-R118 PolarHBondContact OE1-NH1 3.43Å |
| 46 | Q | 89.1 | Confident | 90.8 | Very high | 130 Ų | 130 | 38.1 Ų | 38.1 | 61% | 0.607 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -64.6 | -37.2 | 179.4 | -170.7 | 167.6 | 6.7 | 0 | 0 | 111.7 | E44 G50 Y178 | E44-Q46 VanDerWaalsContact C-N 3.26Å; E44-Q46 PolarHBondContact O-N 3.4Å; Q46-G50 WeakPolarHBondContact O-CA 3.44Å; Q46-G50 PolarHBondContact O-N 2.79Å; Q46-Y178 HydrophobicContact CB-CE2 3.96Å; Q46-Y178 HydrophobicContact CG-CD2 4.43Å; Q46-Y178 HydrophobicContact CG-CE2 3.85Å |
| 47 | F | 92.6 | Very high | 91 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.8 | -55.5 | 173.6 | -173.8 | -105.8 | 0 | 0 | 0 | 112.2 | K41 L42 E44 E45 F51 C52 V57 I72 L111 I175 Y178 L179 | K41-F47 VanDerWaalsContact O-CB 3.25Å; K41-F47 WeakPolarHBondContact O-CB 3.11Å; L42-F47 HydrophobicContact CB-CD1 4.45Å; L42-F47 HydrophobicContact CB-CE1 4.32Å; L42-F47 HydrophobicContact CD2-CD1 4.45Å; L42-F47 HydrophobicContact CD2-CE1 3.84Å; L42-F47 HydrophobicContact CD2-CE2 3.92Å; L42-F47 HydrophobicContact CD2-CZ 3.54Å; L42-F47 WeakPolarHBondContact O-CD1 3.45Å; E44-F47 PolarHBondContact O-N 2.81Å; E45-F47 VanDerWaalsContact C-N 3.32Å; E45-F47 PolarHBondContact O-N 2.87Å; F47-F51 HydrophobicContact CD2-CD2 4.23Å; F47-F51 WeakPolarHBondContact O-CB 3.33Å; F47-F51 PolarHBondContact O-N 2.93Å; F47-C52 WeakPolarHBondContact CE1-SG 3.29Å; F47-C52 PolarHBondContact O-N 3.05Å; F47-V57 HydrophobicContact CE2-CG1 4.38Å; F47-V57 HydrophobicContact CZ-CG1 3.89Å; F47-I72 HydrophobicContact CE1-CD1 3.9Å; F47-I72 HydrophobicContact CZ-CD1 3.87Å; F47-L111 HydrophobicContact CE1-CD1 4.21Å; F47-I175 HydrophobicContact CE2-CD1 3.75Å; F47-I175 HydrophobicContact CE2-CG1 4.18Å; F47-I175 HydrophobicContact CZ-CD1 4.43Å; F47-Y178 HydrophobicContact CB-CE1 3.72Å; F47-Y178 HydrophobicContact CD2-CD1 4.15Å; F47-Y178 AromaticContact CD2-CE1 3.83Å; F47-Y178 HydrophobicContact CD2-CE1 3.83Å; F47-Y178 HydrophobicContact CG-CE1 4.25Å; F47-Y178 PolarHBondContact N-OH 3.4Å; F47-L179 HydrophobicContact CD2-CD2 3.82Å; F47-L179 HydrophobicContact CE2-CD1 4.16Å; F47-L179 HydrophobicContact CE2-CD2 3.73Å; F47-L179 HydrophobicContact CE2-CG 4.23Å |
| 48 | I | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -69.2 | -47.6 | -173.2 | -62.7 | 157.7 | 0 | 0 | 0 | 110.6 | E44 E45 C52 R53 F116 H123 | E44-I48 PolarHBondContact O-N 2.86Å; E45-I48 PolarHBondContact O-N 2.74Å; I48-C52 PolarHBondContact O-N 2.69Å; I48-R53 HydrophobicContact CG2-CG 4.47Å; I48-R53 WeakPolarHBondContact O-CG 3.3Å; I48-R53 PolarHBondContact O-N 3.25Å; I48-F116 HydrophobicContact CD1-CE1 3.85Å; I48-H123 WeakPolarHBondContact CD1-NE2 3.37Å |
| 49 | A | 88.3 | Confident | 91.3 | Very high | 18 Ų | 18 | 31.1 Ų | 31.1 | 15% | 0.149 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -76 | -38.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | E45 R118 | E45-A49 HydrophobicContact CG-CB 4.3Å; E45-A49 WeakPolarHBondContact O-CA 3Å; E45-A49 WeakPolarHBondContact O-CB 3.48Å; E45-A49 PolarHBondContact O-N 3.05Å; A49-R118 VanDerWaalsContact CB-CZ 3.43Å |
| 50 | G | 87 | Confident | 91.3 | Very high | 21 Ų | 21 | 31.2 Ų | 31.2 | 22% | 0.216 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -81.3 | -34.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q46 R54 | Q46-G50 WeakPolarHBondContact O-CA 3.44Å; Q46-G50 PolarHBondContact O-N 2.79Å; G50-R54 WeakPolarHBondContact O-CD 3.32Å |
| 51 | F | 91.9 | Very high | 91.2 | Very high | 22 Ų | 22 | 31.6 Ų | 31.6 | 10% | 0.096 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -117.5 | -59.3 | -176.6 | -55.2 | -79.1 | 0 | 0 | 0 | 112.7 | F47 R53 R54 G55 V57 W157 I175 Y178 | F47-F51 HydrophobicContact CD2-CD2 4.23Å; F47-F51 WeakPolarHBondContact O-CB 3.33Å; F47-F51 PolarHBondContact O-N 2.93Å; F51-R53 PolarHBondContact O-N 3.22Å; F51-R54 CarbonylContact O-C 3.58Å; F51-R54 PolarHBondContact O-N 3.18Å; F51-G55 PolarHBondContact O-N 3.37Å; F51-V57 HydrophobicContact CB-CG2 3.69Å; F51-W157 AromaticContact CD1-CD2 3.77Å; F51-W157 HydrophobicContact CD1-CD2 3.77Å; F51-W157 AromaticContact CD1-CE2 3.88Å; F51-W157 AromaticContact CD1-CE3 3.77Å; F51-W157 HydrophobicContact CD1-CE3 3.77Å; F51-W157 HydrophobicContact CD1-CG 4.38Å; F51-W157 HydrophobicContact CD1-CH2 4.02Å; F51-W157 HydrophobicContact CD1-CZ2 4.03Å; F51-W157 AromaticContact CD1-CZ3 3.88Å; F51-W157 HydrophobicContact CD1-CZ3 3.88Å; F51-W157 HydrophobicContact CE1-CE3 4.11Å; F51-W157 HydrophobicContact CE1-CH2 4.44Å; F51-W157 HydrophobicContact CE1-CZ3 4.03Å; F51-W157 PolarHBondContact O-NE1 3.44Å; F51-I175 HydrophobicContact CB-CD1 4.03Å; F51-I175 HydrophobicContact CD1-CB 3.92Å; F51-I175 HydrophobicContact CD1-CD1 4.31Å; F51-I175 HydrophobicContact CD1-CG1 4.36Å; F51-I175 HydrophobicContact CE1-CB 3.87Å; F51-I175 HydrophobicContact CG-CB 4.38Å; F51-I175 HydrophobicContact CG-CD1 4.06Å; F51-I175 HydrophobicContact CG-CG1 4.32Å; F51-I175 HydrophobicContact CZ-CB 4.29Å; F51-Y178 AromaticContact CE2-CD1 3.85Å; F51-Y178 HydrophobicContact CE2-CD1 3.85Å; F51-Y178 HydrophobicContact CE2-CD2 4.42Å; F51-Y178 HydrophobicContact CE2-CE1 4.45Å; F51-Y178 AromaticContact CE2-CG 3.82Å; F51-Y178 HydrophobicContact CE2-CG 3.82Å; F51-Y178 HydrophobicContact CZ-CG 4.35Å |
| 52 | C | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -63.2 | -36.6 | -171.3 | -62.6 | 0 | 0 | 0 | 0 | 114.1 | F47 I48 R54 S75 L111 K112 | F47-C52 WeakPolarHBondContact CE1-SG 3.29Å; F47-C52 PolarHBondContact O-N 3.05Å; I48-C52 PolarHBondContact O-N 2.69Å; C52-R54 VanDerWaalsContact C-N 3.33Å; C52-S75 PolarHBondContact O-OG 3.27Å; C52-L111 HydrophobicContact CB-CB 4.09Å; C52-K112 WeakPolarHBondContact O-CG 3.34Å |
| 53 | R | 90 | Very high | 90.1 | Very high | 82 Ų | 82 | 37 Ų | 37 | 31% | 0.309 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -11.7 | 177.1 | -72.9 | -174.3 | -178.9 | -171.4 | -2.2 | 114 | I48 F51 F116 R118 | I48-R53 HydrophobicContact CG2-CG 4.47Å; I48-R53 WeakPolarHBondContact O-CG 3.3Å; I48-R53 PolarHBondContact O-N 3.25Å; F51-R53 PolarHBondContact O-N 3.22Å; R53-F116 PolarHBondContact NH2-O 3.3Å; R53-F116 VanDerWaalsContact NH2-O 3.14Å; R53-R118 VanDerWaalsContact NH1-NE 3.17Å; R53-R118 VanDerWaalsContact NH1-NH2 3.18Å |
| 54 | R | 89.1 | Confident | 89.1 | Confident | 139 Ų | 139 | 39.1 Ų | 39.1 | 53% | 0.525 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -113.9 | 8.1 | -174.1 | -72.5 | -171.9 | -176.5 | -169.4 | -1.2 | 112.7 | G50 F51 C52 W157 D160 V163 | G50-R54 WeakPolarHBondContact O-CD 3.32Å; F51-R54 CarbonylContact O-C 3.58Å; F51-R54 PolarHBondContact O-N 3.18Å; C52-R54 VanDerWaalsContact C-N 3.33Å; R54-W157 HydrophobicContact CB-CZ2 4.23Å; R54-D160 PolarHBondContact O-N 2.83Å; R54-V163 HydrophobicContact CB-CG2 3.97Å; R54-V163 HydrophobicContact CG-CG2 4.33Å |
| 55 | G | 90 | Very high | 88.4 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173 | -176.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F51 S75 L158 D160 | F51-G55 PolarHBondContact O-N 3.37Å; G55-S75 PolarHBondContact O-OG 3.47Å; G55-L158 CarbonylContact C-O 3.6Å; G55-L158 WeakPolarHBondContact CA-O 3.29Å; G55-D160 PolarHBondContact N-OD2 2.92Å |
| 56 | A | 90.7 | Very high | 87.9 | Confident | 26 Ų | 26 | 37.6 Ų | 37.6 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 114.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | K74 W157 L158 | A56-K74 HydrophobicContact CB-CB 4.42Å; A56-W157 WeakPolarHBondContact O-CA 3.36Å; A56-L158 HydrophobicContact CB-CB 4.38Å; A56-L158 PolarHBondContact N-O 2.64Å; A56-L158 PolarHBondContact O-N 3.05Å |
| 57 | V | 92.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 137.2 | 176.1 | 172 | 0 | 0 | 0 | 0 | 110.1 | F47 F51 V59 I72 K74 S75 W157 I175 | F47-V57 HydrophobicContact CE2-CG1 4.38Å; F47-V57 HydrophobicContact CZ-CG1 3.89Å; F51-V57 HydrophobicContact CB-CG2 3.69Å; V57-V59 HydrophobicContact CG1-CG2 3.91Å; V57-I72 HydrophobicContact CB-CG2 4.46Å; V57-I72 HydrophobicContact CG1-CG2 4.17Å; V57-K74 WeakPolarHBondContact O-CA 3.22Å; V57-K74 PolarHBondContact O-N 3.33Å; V57-S75 PolarHBondContact N-OG 3.41Å; V57-S75 VanDerWaalsContact N-OG 3.07Å; V57-S75 PolarHBondContact O-N 2.81Å; V57-W157 HydrophobicContact CG2-CG 4.4Å; V57-I175 HydrophobicContact CB-CD1 4.19Å; V57-I175 HydrophobicContact CG1-CD1 3.45Å; V57-I175 VanDerWaalsContact CG1-CD1 3.45Å; V57-I175 HydrophobicContact CG2-CD1 3.69Å |
| 58 | T | 93 | Very high | 87.3 | Confident | 12 Ų | 12 | 34.1 Ų | 34.1 | 7% | 0.074 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 123.4 | 171.8 | -59.8 | 0 | 0 | 0 | 0 | 109.3 | L60 I72 F154 V155 D156 L306 | T58-L60 HydrophobicContact CG2-CD1 3.79Å; T58-L60 HydrophobicContact CG2-CD2 4.4Å; T58-L60 HydrophobicContact CG2-CG 3.71Å; T58-I72 CarbonylContact C-O 3.49Å; T58-I72 VanDerWaalsContact CA-O 3.3Å; T58-I72 WeakPolarHBondContact CA-O 3.24Å; T58-F154 HydrophobicContact CG2-CD1 4.35Å; T58-F154 HydrophobicContact CG2-CE1 4.03Å; T58-V155 WeakPolarHBondContact O-CA 3.35Å; T58-D156 PolarHBondContact N-O 2.84Å; T58-D156 PolarHBondContact O-N 3.29Å; T58-L306 HydrophobicContact CG2-CD2 4.03Å |
| 59 | V | 93.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 111.9 | 175.2 | -178.7 | 0 | 0 | 0 | 0 | 107 | L37 V57 S71 I72 F153 F154 V155 L179 | L37-V59 HydrophobicContact CD2-CG1 4.5Å; V57-V59 HydrophobicContact CG1-CG2 3.91Å; V59-S71 CarbonylContact O-C 3.53Å; V59-S71 WeakPolarHBondContact O-CA 3.45Å; V59-I72 HydrophobicContact CB-CB 4.04Å; V59-I72 HydrophobicContact CB-CG1 4.39Å; V59-I72 HydrophobicContact CG2-CB 4.38Å; V59-I72 HydrophobicContact CG2-CD1 4.41Å; V59-I72 PolarHBondContact N-O 2.93Å; V59-I72 PolarHBondContact O-N 2.94Å; V59-F153 HydrophobicContact CG1-CB 4.03Å; V59-F153 HydrophobicContact CG1-CD1 3.66Å; V59-F153 HydrophobicContact CG1-CE1 4.49Å; V59-F153 HydrophobicContact CG1-CG 4.07Å; V59-F154 CarbonylContact C-O 3.42Å; V59-F154 VanDerWaalsContact CA-O 3.32Å; V59-F154 WeakPolarHBondContact CA-O 3.39Å; V59-V155 HydrophobicContact CG2-CG1 4.46Å; V59-L179 HydrophobicContact CG2-CD1 4.07Å |
| 60 | L | 91.3 | Very high | 87.3 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133.9 | -172.9 | -64.2 | 177.2 | 0 | 0 | 0 | 110.4 | V2 L4 T58 I62 R73 F153 F154 L306 | V2-L60 HydrophobicContact CG1-CD1 4.14Å; L4-L60 HydrophobicContact CD1-CB 3.86Å; L4-L60 HydrophobicContact CD1-CD1 4.09Å; L4-L60 HydrophobicContact CG-CD1 4.09Å; T58-L60 HydrophobicContact CG2-CD1 3.79Å; T58-L60 HydrophobicContact CG2-CD2 4.4Å; T58-L60 HydrophobicContact CG2-CG 3.71Å; L60-I62 PolarHBondContact O-N 3.12Å; L60-R73 HydrophobicContact CD2-CG 3.75Å; L60-F153 VanDerWaalsContact C-CD1 3.44Å; L60-F153 CarbonylContact O-C 3.57Å; L60-F153 VanDerWaalsContact O-CA 3.26Å; L60-F153 WeakPolarHBondContact O-CA 3.32Å; L60-F154 HydrophobicContact CB-CB 4.45Å; L60-F154 HydrophobicContact CB-CD1 4.34Å; L60-F154 HydrophobicContact CD1-CD1 4.36Å; L60-F154 HydrophobicContact CG-CD1 4.48Å; L60-F154 PolarHBondContact N-O 3.41Å; L60-F154 PolarHBondContact O-N 2.83Å; L60-L306 HydrophobicContact CD1-CD2 4.12Å |
| 61 | P | 88.6 | Confident | 87.6 | Confident | 22 Ų | 22 | 34.3 Ų | 34.3 | 14% | 0.143 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 131.3 | 176.9 | 26.1 | -26.7 | 0 | 0 | 0 | 109.1 | K63 P64 D69 L70 F153 | P61-K63 VanDerWaalsContact C-N 3.31Å; P61-P64 HydrophobicContact CG-CB 4.27Å; P61-D69 WeakPolarHBondContact CG-OD1 3.31Å; P61-L70 WeakPolarHBondContact CD-O 3.36Å; P61-F153 HydrophobicContact CB-CD1 4.06Å; P61-F153 HydrophobicContact CB-CE1 3.65Å; P61-F153 HydrophobicContact CB-CZ 4.12Å; P61-F153 HydrophobicContact CG-CE1 4.24Å |
| 62 | I | 85.1 | Confident | 87.7 | Confident | 33 Ų | 33 | 33.2 Ų | 33.2 | 17% | 0.169 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -74.2 | -31.9 | 171.2 | -72.7 | 159.2 | 0 | 0 | 0 | 110.1 | I33 L60 P152 F154 L338 | I33-I62 HydrophobicContact CB-CD1 4.21Å; I33-I62 HydrophobicContact CD1-CD1 3.65Å; I33-I62 HydrophobicContact CG1-CD1 3.78Å; I33-I62 HydrophobicContact CG2-CD1 3.46Å; I33-I62 VanDerWaalsContact CG2-CD1 3.46Å; L60-I62 PolarHBondContact O-N 3.12Å; I62-P152 HydrophobicContact CB-CB 4.46Å; I62-P152 HydrophobicContact CB-CG 4.14Å; I62-P152 WeakPolarHBondContact CB-O 3.2Å; I62-P152 HydrophobicContact CD1-CB 4.02Å; I62-P152 HydrophobicContact CG2-CG 4.31Å; I62-P152 PolarHBondContact N-O 3.33Å; I62-F154 HydrophobicContact CG1-CB 4.43Å; I62-L338 HydrophobicContact CB-CD2 4.48Å; I62-L338 HydrophobicContact CG1-CD2 4.29Å; I62-L338 HydrophobicContact CG2-CD2 4.05Å |
| 63 | K | 79.3 | Confident | 87.7 | Confident | 99 Ų | 99 | 36.4 Ų | 36.4 | 43% | 0.43 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -125.6 | 86.7 | 174.2 | -167.6 | 171.7 | -175.4 | 169.5 | 0 | 110.2 | P61 V340 | P61-K63 VanDerWaalsContact C-N 3.31Å; K63-V340 HydrophobicContact CG-CG1 4.42Å |
| 64 | P | 73.3 | Confident | 87.7 | Confident | 46 Ų | 46 | 40 Ų | 40 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | trans | -57.9 | 141.6 | 175.3 | 24.1 | -37 | 0 | 0 | 0 | 111.2 | P61 V340 | P61-P64 HydrophobicContact CG-CB 4.27Å; P64-V340 HydrophobicContact CG-CG1 3.88Å; P64-V340 HydrophobicContact CG-CG2 4.27Å | ||
| 65 | L | 79.2 | Confident | 88 | Confident | 45 Ų | 45 | 33.3 Ų | 33.3 | 24% | 0.236 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -96.4 | 135.6 | -179.5 | -58.1 | 169.1 | 0 | 0 | 0 | 109.2 | E67 F68 L147 L150 | L65-E67 PolarHBondContact O-N 2.9Å; L65-E67 VanDerWaalsContact O-N 3.12Å; L65-F68 WeakPolarHBondContact CB-O 3.24Å; L65-F68 CarbonylContact O-C 3.44Å; L65-F68 PolarHBondContact O-N 3.49Å; L65-F68 VanDerWaalsContact O-O 3.06Å; L65-L147 HydrophobicContact CB-CD2 4.08Å; L65-L147 HydrophobicContact CD1-CD2 3.51Å; L65-L147 HydrophobicContact CG-CD2 4.39Å; L65-L150 HydrophobicContact CD1-CD2 3.99Å |
| 66 | P | 76.4 | Confident | 88.3 | Confident | 90 Ų | 90 | 36.7 Ų | 36.7 | 58% | 0.584 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -19.1 | -171.1 | 22.6 | -32.4 | 0 | 0 | 0 | 114.6 | F104 | P66-F104 VanDerWaalsContact O-CE1 3.23Å; P66-F104 WeakPolarHBondContact O-CE1 3.36Å; P66-F104 WeakPolarHBondContact O-CZ 3.35Å |
| 67 | E | 82.5 | Confident | 88.5 | Confident | 54 Ų | 54 | 35.4 Ų | 35.4 | 25% | 0.252 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -15 | 177.9 | -93.5 | 166.1 | -153.9 | 0 | 0 | 114.1 | L65 S82 P144 R146 | L65-E67 PolarHBondContact O-N 2.9Å; L65-E67 VanDerWaalsContact O-N 3.12Å; E67-S82 WeakPolarHBondContact O-CB 3.44Å; E67-S82 PolarHBondContact O-N 2.92Å; E67-S82 PolarHBondContact O-OG 2.9Å; E67-P144 WeakPolarHBondContact OE2-CB 3.34Å; E67-P144 WeakPolarHBondContact OE2-CG 3.32Å; E67-R146 IonicContact OE1-CZ 3.43Å; E67-R146 IonicContact OE1-NE 2.7Å; E67-R146 IonicContact OE1-NH1 3.62Å; E67-R146 IonicContact OE1-NH2 2.82Å; E67-R146 PolarHBondContact OE1-NH2 3.46Å; E67-R146 IonicContact OE2-CZ 2.82Å; E67-R146 IonicContact OE2-NE 3.68Å; E67-R146 PolarHBondContact OE2-NE 3.01Å; E67-R146 IonicContact OE2-NH2 3.68Å; E67-R146 PolarHBondContact OE2-NH2 3.4Å |
| 68 | F | 86.8 | Confident | 88.6 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 116.6 | -172.1 | -179.4 | -112.6 | 0 | 0 | 0 | 110.8 | L65 L70 L79 D80 M81 V85 F129 F133 L147 L150 | L65-F68 WeakPolarHBondContact CB-O 3.24Å; L65-F68 CarbonylContact O-C 3.44Å; L65-F68 PolarHBondContact O-N 3.49Å; L65-F68 VanDerWaalsContact O-O 3.06Å; F68-L70 HydrophobicContact CE1-CB 3.84Å; F68-L70 HydrophobicContact CE1-CD1 4.36Å; F68-L70 HydrophobicContact CZ-CB 4.05Å; F68-L70 HydrophobicContact CZ-CD1 4.33Å; F68-L79 HydrophobicContact CE2-CB 4.38Å; F68-L79 HydrophobicContact CE2-CD2 4.09Å; F68-L79 HydrophobicContact CZ-CD2 3.88Å; F68-D80 CarbonylContact C-O 3.46Å; F68-D80 VanDerWaalsContact CA-O 3.27Å; F68-D80 WeakPolarHBondContact CA-O 3.49Å; F68-M81 HydrophobicContact CD2-CG 3.77Å; F68-M81 HydrophobicContact CE2-CG 3.89Å; F68-V85 HydrophobicContact CD2-CG1 4.04Å; F68-F129 HydrophobicContact CE2-CE1 4.33Å; F68-F129 AromaticContact CE2-CZ 3.9Å; F68-F129 HydrophobicContact CE2-CZ 3.9Å; F68-F129 HydrophobicContact CZ-CE1 4.17Å; F68-F129 HydrophobicContact CZ-CZ 4.14Å; F68-F133 AromaticContact CD1-CE1 3.88Å; F68-F133 HydrophobicContact CD1-CE1 3.88Å; F68-F133 HydrophobicContact CD1-CZ 4.18Å; F68-F133 HydrophobicContact CD2-CZ 4.48Å; F68-F133 AromaticContact CE1-CE1 3.63Å; F68-F133 HydrophobicContact CE1-CE1 3.63Å; F68-F133 AromaticContact CE1-CZ 3.71Å; F68-F133 HydrophobicContact CE1-CZ 3.71Å; F68-F133 HydrophobicContact CE2-CZ 4.06Å; F68-F133 HydrophobicContact CG-CE1 4.49Å; F68-F133 HydrophobicContact CZ-CE1 4.06Å; F68-F133 HydrophobicContact CZ-CE2 4.41Å; F68-F133 AromaticContact CZ-CZ 3.63Å; F68-F133 HydrophobicContact CZ-CZ 3.63Å; F68-L147 HydrophobicContact CB-CD1 3.61Å; F68-L147 HydrophobicContact CB-CD2 3.92Å; F68-L147 HydrophobicContact CB-CG 4.43Å; F68-L147 HydrophobicContact CD1-CD1 4.41Å; F68-L147 HydrophobicContact CG-CD1 4.14Å; F68-L150 HydrophobicContact CD1-CD2 3.9Å; F68-L150 HydrophobicContact CE1-CD1 4.29Å; F68-L150 HydrophobicContact CE1-CD2 3.98Å |
| 69 | D | 88.3 | Confident | 88.5 | Confident | 35 Ų | 35 | 35.4 Ų | 35.4 | 19% | 0.187 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127 | 170.3 | -170 | 56.7 | 0 | 0 | 0 | 109.6 | P61 L79 D80 | P61-D69 WeakPolarHBondContact CG-OD1 3.31Å; D69-L79 WeakPolarHBondContact O-CA 3.34Å; D69-D80 HydrophobicContact CB-CB 4.09Å; D69-D80 PolarHBondContact N-O 2.87Å; D69-D80 PolarHBondContact O-N 2.9Å |
| 70 | L | 91.8 | Very high | 88.4 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.8 | 171.7 | 179 | 153 | 0 | 0 | 0 | 107.6 | L37 P39 L42 P61 F68 L79 F130 L150 F153 | L37-L70 HydrophobicContact CD2-CD2 3.88Å; P39-L70 HydrophobicContact CB-CD1 4.16Å; L42-L70 HydrophobicContact CD1-CD1 4Å; L42-L70 HydrophobicContact CD1-CD2 3.93Å; L42-L70 HydrophobicContact CD1-CG 4.49Å; P61-L70 WeakPolarHBondContact CD-O 3.36Å; F68-L70 HydrophobicContact CE1-CB 3.84Å; F68-L70 HydrophobicContact CE1-CD1 4.36Å; F68-L70 HydrophobicContact CZ-CB 4.05Å; F68-L70 HydrophobicContact CZ-CD1 4.33Å; L70-L79 HydrophobicContact CB-CD2 4.16Å; L70-L79 HydrophobicContact CD1-CD2 4.1Å; L70-L79 HydrophobicContact CG-CD2 3.96Å; L70-F130 HydrophobicContact CD1-CD1 4.37Å; L70-F130 HydrophobicContact CD1-CE1 3.58Å; L70-F130 HydrophobicContact CD1-CZ 4.16Å; L70-L150 HydrophobicContact CD1-CD1 4.28Å; L70-F153 HydrophobicContact CD2-CE1 3.79Å; L70-F153 HydrophobicContact CD2-CZ 4.18Å; L70-F153 WeakPolarHBondContact O-CE1 3.36Å |
| 71 | S | 93.3 | Very high | 88.3 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 3% | 0.028 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 147.4 | 172.6 | 56.1 | 0 | 0 | 0 | 0 | 111.9 | V59 T78 | V59-S71 CarbonylContact O-C 3.53Å; V59-S71 WeakPolarHBondContact O-CA 3.45Å; S71-T78 PolarHBondContact N-O 3.15Å; S71-T78 PolarHBondContact O-N 2.88Å |
| 72 | I | 94.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125 | 167.9 | -58.5 | 179.5 | 0 | 0 | 0 | 107.3 | L42 F47 V57 T58 V59 I76 L77 L111 | L42-I72 HydrophobicContact CD1-CD1 4.06Å; L42-I72 HydrophobicContact CD2-CD1 3.81Å; L42-I72 HydrophobicContact CG-CD1 4.39Å; F47-I72 HydrophobicContact CE1-CD1 3.9Å; F47-I72 HydrophobicContact CZ-CD1 3.87Å; V57-I72 HydrophobicContact CB-CG2 4.46Å; V57-I72 HydrophobicContact CG1-CG2 4.17Å; T58-I72 CarbonylContact C-O 3.49Å; T58-I72 VanDerWaalsContact CA-O 3.3Å; T58-I72 WeakPolarHBondContact CA-O 3.24Å; V59-I72 HydrophobicContact CB-CB 4.04Å; V59-I72 HydrophobicContact CB-CG1 4.39Å; V59-I72 HydrophobicContact CG2-CB 4.38Å; V59-I72 HydrophobicContact CG2-CD1 4.41Å; V59-I72 PolarHBondContact N-O 2.93Å; V59-I72 PolarHBondContact O-N 2.94Å; I72-I76 VanDerWaalsContact CA-O 3.31Å; I72-I76 WeakPolarHBondContact CA-O 3.19Å; I72-L77 HydrophobicContact CD1-CD1 4.38Å; I72-L77 HydrophobicContact CG1-CB 4.34Å; I72-L77 HydrophobicContact CG1-CD1 3.85Å; I72-L111 HydrophobicContact CD1-CD1 4.23Å |
| 73 | R | 91.4 | Very high | 88.2 | Confident | 67 Ų | 67 | 36.6 Ų | 36.6 | 25% | 0.253 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 118.9 | 177.6 | -69 | 177.3 | -178.1 | -171 | -5.3 | 109.1 | V2 L60 S75 I76 | V2-R73 VanDerWaalsContact O-CZ 3.29Å; V2-R73 PolarHBondContact O-NH2 3.39Å; L60-R73 HydrophobicContact CD2-CG 3.75Å; R73-S75 PolarHBondContact O-N 3.45Å; R73-I76 PolarHBondContact N-O 3.08Å; R73-I76 WeakPolarHBondContact O-CB 3.43Å; R73-I76 PolarHBondContact O-N 2.81Å |
| 74 | K | 91.5 | Very high | 88.4 | Confident | 156 Ų | 156 | 36.2 Ų | 36.2 | 68% | 0.678 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 46.8 | -175.9 | -58.4 | -176.5 | 177.5 | -176.2 | 0 | 111.6 | A56 V57 I76 | A56-K74 HydrophobicContact CB-CB 4.42Å; V57-K74 WeakPolarHBondContact O-CA 3.22Å; V57-K74 PolarHBondContact O-N 3.33Å; K74-I76 PolarHBondContact O-N 3.25Å |
| 75 | S | 94.8 | Very high | 89 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 9.7 | -177.5 | -52.4 | 0 | 0 | 0 | 0 | 115.9 | C52 G55 V57 R73 L111 | C52-S75 PolarHBondContact O-OG 3.27Å; G55-S75 PolarHBondContact O-OG 3.47Å; V57-S75 PolarHBondContact N-OG 3.41Å; V57-S75 VanDerWaalsContact N-OG 3.07Å; V57-S75 PolarHBondContact O-N 2.81Å; R73-S75 PolarHBondContact O-N 3.45Å; S75-L111 WeakPolarHBondContact O-CB 3.28Å; S75-L111 PolarHBondContact O-N 3Å |
| 76 | I | 95.6 | Very high | 89.4 | Confident | 70 Ų | 70 | 34.3 Ų | 34.3 | 36% | 0.359 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 112.3 | 170.7 | -56.5 | 174 | 0 | 0 | 0 | 108.9 | I72 R73 K74 V109 D110 | I72-I76 VanDerWaalsContact CA-O 3.31Å; I72-I76 WeakPolarHBondContact CA-O 3.19Å; R73-I76 PolarHBondContact N-O 3.08Å; R73-I76 WeakPolarHBondContact O-CB 3.43Å; R73-I76 PolarHBondContact O-N 2.81Å; K74-I76 PolarHBondContact O-N 3.25Å; I76-V109 CarbonylContact C-O 3.49Å; I76-V109 WeakPolarHBondContact CA-O 3.46Å; I76-D110 HydrophobicContact CG1-CB 4.32Å |
| 77 | L | 95.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 124.4 | 171.9 | 172.1 | 67.2 | 0 | 0 | 0 | 109.5 | M43 I72 L79 Q108 V109 L111 L126 F130 | M43-L77 HydrophobicContact CE-CD2 3.95Å; I72-L77 HydrophobicContact CD1-CD1 4.38Å; I72-L77 HydrophobicContact CG1-CB 4.34Å; I72-L77 HydrophobicContact CG1-CD1 3.85Å; L77-L79 HydrophobicContact CD1-CD2 3.94Å; L77-L79 HydrophobicContact CD1-CG 4.37Å; L77-L79 HydrophobicContact CG-CD2 4.45Å; L77-L79 HydrophobicContact CG-CG 4.35Å; L77-Q108 VanDerWaalsContact O-CA 3.28Å; L77-Q108 WeakPolarHBondContact O-CA 3.2Å; L77-V109 HydrophobicContact CB-CG1 3.9Å; L77-V109 HydrophobicContact CD2-CG1 4.04Å; L77-V109 HydrophobicContact CG-CG1 4.37Å; L77-V109 PolarHBondContact N-O 3Å; L77-V109 PolarHBondContact O-N 3.18Å; L77-L111 HydrophobicContact CB-CD1 4.14Å; L77-L111 HydrophobicContact CB-CD2 4.41Å; L77-L111 HydrophobicContact CB-CG 4.19Å; L77-L126 HydrophobicContact CD2-CD1 4.36Å; L77-F130 HydrophobicContact CD1-CZ 4.22Å; L77-F130 HydrophobicContact CD2-CE2 3.96Å; L77-F130 HydrophobicContact CD2-CZ 3.82Å |
| 78 | T | 94 | Very high | 89.3 | Confident | 11 Ų | 11 | 33 Ų | 33 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131 | 172.2 | -57.8 | 0 | 0 | 0 | 0 | 109.2 | S71 R106 F107 Q108 | S71-T78 PolarHBondContact N-O 3.15Å; S71-T78 PolarHBondContact O-N 2.88Å; T78-R106 HydrophobicContact CG2-CG 4.11Å; T78-F107 WeakPolarHBondContact CA-O 3.32Å; T78-Q108 HydrophobicContact CG2-CG 3.87Å; T78-Q108 PolarHBondContact OG1-NE2 3.11Å |
| 79 | L | 92.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 115.3 | 172.7 | -56.4 | 176.3 | 0 | 0 | 0 | 108.1 | F68 D69 L70 L77 M81 L91 R106 F107 L126 F129 F130 | F68-L79 HydrophobicContact CE2-CB 4.38Å; F68-L79 HydrophobicContact CE2-CD2 4.09Å; F68-L79 HydrophobicContact CZ-CD2 3.88Å; D69-L79 WeakPolarHBondContact O-CA 3.34Å; L70-L79 HydrophobicContact CB-CD2 4.16Å; L70-L79 HydrophobicContact CD1-CD2 4.1Å; L70-L79 HydrophobicContact CG-CD2 3.96Å; L77-L79 HydrophobicContact CD1-CD2 3.94Å; L77-L79 HydrophobicContact CD1-CG 4.37Å; L77-L79 HydrophobicContact CG-CD2 4.45Å; L77-L79 HydrophobicContact CG-CG 4.35Å; L79-M81 HydrophobicContact CB-CE 4.11Å; L79-M81 HydrophobicContact CB-CG 4.45Å; L79-M81 HydrophobicContact CB-SD 4.46Å; L79-L91 HydrophobicContact CD1-CD1 3.99Å; L79-R106 WeakPolarHBondContact O-CA 3.13Å; L79-F107 HydrophobicContact CB-CB 4.28Å; L79-F107 HydrophobicContact CB-CD1 4.47Å; L79-F107 HydrophobicContact CD1-CD1 3.93Å; L79-F107 HydrophobicContact CG-CD1 4.2Å; L79-F107 PolarHBondContact N-O 2.83Å; L79-F107 PolarHBondContact O-N 2.88Å; L79-L126 HydrophobicContact CD1-CD2 4.44Å; L79-F129 HydrophobicContact CD1-CD1 4.26Å; L79-F129 HydrophobicContact CD1-CE1 3.68Å; L79-F129 HydrophobicContact CD1-CZ 4.11Å; L79-F130 HydrophobicContact CD1-CE1 4.35Å; L79-F130 HydrophobicContact CD1-CZ 4.14Å; L79-F130 HydrophobicContact CD2-CE1 3.99Å; L79-F130 HydrophobicContact CD2-CZ 4.01Å |
| 80 | D | 90.3 | Very high | 88.2 | Confident | 22 Ų | 22 | 34.4 Ų | 34.4 | 12% | 0.118 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 119 | 167.9 | -69.3 | -32.4 | 0 | 0 | 0 | 108.8 | F68 D69 R106 | F68-D80 CarbonylContact C-O 3.46Å; F68-D80 VanDerWaalsContact CA-O 3.27Å; F68-D80 WeakPolarHBondContact CA-O 3.49Å; D69-D80 HydrophobicContact CB-CB 4.09Å; D69-D80 PolarHBondContact N-O 2.87Å; D69-D80 PolarHBondContact O-N 2.9Å; D80-R106 WeakPolarHBondContact OD1-CA 3.19Å; D80-R106 WeakPolarHBondContact OD1-CB 3.45Å; D80-R106 WeakPolarHBondContact OD1-CG 3.46Å; D80-R106 IonicContact OD1-CZ 3.81Å; D80-R106 IonicContact OD1-NE 2.85Å; D80-R106 PolarHBondContact OD1-NE 2.99Å; D80-R106 IonicContact OD1-NH2 3.04Å; D80-R106 IonicContact OD2-CZ 2.71Å; D80-R106 IonicContact OD2-NE 2.68Å; D80-R106 PolarHBondContact OD2-NE 2.87Å; D80-R106 IonicContact OD2-NH2 2.93Å; D80-R106 PolarHBondContact OD2-NH2 2.87Å |
| 81 | M | 89 | Confident | 87.8 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132.1 | -172.1 | -65.8 | 166 | -75.4 | 0 | 0 | 110.3 | F68 L79 V85 Y86 L91 F104 Y105 F107 F129 | F68-M81 HydrophobicContact CD2-CG 3.77Å; F68-M81 HydrophobicContact CE2-CG 3.89Å; L79-M81 HydrophobicContact CB-CE 4.11Å; L79-M81 HydrophobicContact CB-CG 4.45Å; L79-M81 HydrophobicContact CB-SD 4.46Å; M81-V85 HydrophobicContact CB-CB 4.15Å; M81-V85 HydrophobicContact CB-CG1 4.11Å; M81-V85 HydrophobicContact CG-CB 4.47Å; M81-V85 HydrophobicContact CG-CG1 3.87Å; M81-V85 HydrophobicContact SD-CG1 4.41Å; M81-Y86 HydrophobicContact CE-CD2 4.04Å; M81-L91 HydrophobicContact CE-CD1 4.29Å; M81-L91 HydrophobicContact SD-CD1 4.36Å; M81-F104 CarbonylContact O-C 3.59Å; M81-F104 WeakPolarHBondContact O-CA 3.02Å; M81-Y105 PolarHBondContact N-O 2.79Å; M81-Y105 PolarHBondContact O-N 2.84Å; M81-F107 HydrophobicContact CE-CB 3.81Å; M81-F129 HydrophobicContact SD-CE2 4.18Å; M81-F129 HydrophobicContact SD-CZ 4.14Å |
| 82 | S | 86.6 | Confident | 87.5 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 6% | 0.063 | 23% | 0.231 | C | C | . | . | trans | -58.4 | 159.6 | 164.3 | 64.5 | 0 | 0 | 0 | 0 | 110.7 | E67 V84 V85 Y86 | E67-S82 WeakPolarHBondContact O-CB 3.44Å; E67-S82 PolarHBondContact O-N 2.92Å; E67-S82 PolarHBondContact O-OG 2.9Å; S82-V84 PolarHBondContact O-N 3.03Å; S82-V84 VanDerWaalsContact O-N 3.14Å; S82-V85 PolarHBondContact O-N 2.99Å; S82-V85 WeakPolarHBondContact OG-CG2 3.46Å; S82-V85 PolarHBondContact OG-N 2.88Å; S82-Y86 WeakPolarHBondContact O-CB 3.39Å; S82-Y86 PolarHBondContact O-N 2.82Å | ||
| 83 | P | 86.4 | Confident | 87.2 | Confident | 54 Ų | 54 | 40.8 Ų | 40.8 | 35% | 0.351 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -54.2 | -35.3 | 177.8 | -27.7 | 36.6 | 0 | 0 | 0 | 113.5 | S87 F103 Y105 | P83-S87 WeakPolarHBondContact O-CB 3.44Å; P83-S87 PolarHBondContact O-N 3.25Å; P83-S87 PolarHBondContact O-OG 3.01Å; P83-F103 HydrophobicContact CB-CE2 4.26Å; P83-F103 HydrophobicContact CG-CD2 3.97Å; P83-F103 HydrophobicContact CG-CE2 3.47Å; P83-F103 VanDerWaalsContact CG-CE2 3.47Å; P83-F103 HydrophobicContact CG-CZ 3.82Å; P83-Y105 HydrophobicContact CB-CE2 4.19Å; P83-Y105 HydrophobicContact CG-CE2 4.21Å |
| 84 | V | 83.9 | Confident | 87.2 | Confident | 91 Ų | 91 | 45.6 Ų | 45.6 | 55% | 0.552 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.1 | -56.7 | 177.2 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | S82 Y86 S87 P144 | S82-V84 PolarHBondContact O-N 3.03Å; S82-V84 VanDerWaalsContact O-N 3.14Å; V84-Y86 VanDerWaalsContact C-N 3.31Å; V84-Y86 PolarHBondContact O-N 2.79Å; V84-S87 PolarHBondContact O-N 2.93Å; V84-S87 PolarHBondContact O-OG 3.22Å; V84-P144 HydrophobicContact CG1-CG 4.5Å |
| 85 | V | 84.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 179.7 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | F68 M81 S82 S87 G88 F89 P144 L147 | F68-V85 HydrophobicContact CD2-CG1 4.04Å; M81-V85 HydrophobicContact CB-CB 4.15Å; M81-V85 HydrophobicContact CB-CG1 4.11Å; M81-V85 HydrophobicContact CG-CB 4.47Å; M81-V85 HydrophobicContact CG-CG1 3.87Å; M81-V85 HydrophobicContact SD-CG1 4.41Å; S82-V85 PolarHBondContact O-N 2.99Å; S82-V85 WeakPolarHBondContact OG-CG2 3.46Å; S82-V85 PolarHBondContact OG-N 2.88Å; V85-S87 PolarHBondContact O-N 3.42Å; V85-G88 PolarHBondContact O-N 3.47Å; V85-F89 WeakPolarHBondContact O-CD2 3.48Å; V85-P144 HydrophobicContact CG2-CG 4.09Å; V85-L147 HydrophobicContact CG2-CD1 3.8Å |
| 86 | Y | 88.5 | Confident | 86.6 | Confident | 50 Ų | 50 | 46.9 Ų | 46.9 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.5 | -45.8 | 180 | 178.9 | -108.8 | 0 | 0 | 0 | 112.9 | M81 S82 V84 G88 F89 G90 L91 A93 Y105 | M81-Y86 HydrophobicContact CE-CD2 4.04Å; S82-Y86 WeakPolarHBondContact O-CB 3.39Å; S82-Y86 PolarHBondContact O-N 2.82Å; V84-Y86 VanDerWaalsContact C-N 3.31Å; V84-Y86 PolarHBondContact O-N 2.79Å; Y86-G88 PolarHBondContact O-N 2.97Å; Y86-F89 PolarHBondContact O-N 3.46Å; Y86-G90 PolarHBondContact O-N 3.25Å; Y86-G90 VanDerWaalsContact O-N 3.11Å; Y86-L91 WeakPolarHBondContact CE2-O 3.49Å; Y86-L91 VanDerWaalsContact CZ-O 3.26Å; Y86-L91 PolarHBondContact OH-O 3.43Å; Y86-A93 HydrophobicContact CD2-CB 4.13Å; Y86-A93 HydrophobicContact CE2-CB 3.49Å; Y86-A93 VanDerWaalsContact CE2-CB 3.49Å; Y86-Y105 AromaticContact CD1-CD1 3.8Å; Y86-Y105 HydrophobicContact CD1-CD1 3.8Å; Y86-Y105 AromaticContact CD1-CD2 3.62Å; Y86-Y105 HydrophobicContact CD1-CD2 3.62Å; Y86-Y105 AromaticContact CD1-CE1 3.95Å; Y86-Y105 HydrophobicContact CD1-CE1 3.95Å; Y86-Y105 AromaticContact CD1-CE2 3.77Å; Y86-Y105 HydrophobicContact CD1-CE2 3.77Å; Y86-Y105 AromaticContact CD1-CG 3.62Å; Y86-Y105 HydrophobicContact CD1-CG 3.62Å; Y86-Y105 AromaticContact CD1-CZ 3.93Å; Y86-Y105 VanDerWaalsContact CD2-CB 3.49Å; Y86-Y105 HydrophobicContact CD2-CD1 4.22Å; Y86-Y105 HydrophobicContact CD2-CD2 4.32Å; Y86-Y105 AromaticContact CD2-CG 3.77Å; Y86-Y105 HydrophobicContact CD2-CG 3.77Å; Y86-Y105 AromaticContact CE1-CD1 3.73Å; Y86-Y105 HydrophobicContact CE1-CD1 3.73Å; Y86-Y105 HydrophobicContact CE1-CD2 4.39Å; Y86-Y105 AromaticContact CE1-CE1 3.78Å; Y86-Y105 HydrophobicContact CE1-CE1 3.78Å; Y86-Y105 HydrophobicContact CE1-CE2 4.43Å; Y86-Y105 HydrophobicContact CE1-CG 4.04Å; Y86-Y105 HydrophobicContact CE2-CD1 4.16Å; Y86-Y105 HydrophobicContact CE2-CG 4.17Å; Y86-Y105 HydrophobicContact CG-CD1 4.05Å; Y86-Y105 AromaticContact CG-CD2 3.58Å; Y86-Y105 HydrophobicContact CG-CD2 3.58Å; Y86-Y105 HydrophobicContact CG-CE2 4.21Å; Y86-Y105 AromaticContact CG-CG 3.48Å; Y86-Y105 HydrophobicContact CG-CG 3.48Å; Y86-Y105 VanDerWaalsContact CG-CG 3.48Å; Y86-Y105 AromaticContact CZ-CD1 3.93Å |
| 87 | S | 82.7 | Confident | 85.7 | Confident | 93 Ų | 93 | 50.9 Ų | 50.9 | 65% | 0.65 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.6 | -28.8 | -176.6 | 70.2 | 0 | 0 | 0 | 0 | 113.4 | P83 V84 V85 F89 | P83-S87 WeakPolarHBondContact O-CB 3.44Å; P83-S87 PolarHBondContact O-N 3.25Å; P83-S87 PolarHBondContact O-OG 3.01Å; V84-S87 PolarHBondContact O-N 2.93Å; V84-S87 PolarHBondContact O-OG 3.22Å; V85-S87 PolarHBondContact O-N 3.42Å; S87-F89 VanDerWaalsContact C-N 3.26Å; S87-F89 PolarHBondContact O-N 3.16Å |
| 88 | G | 74.4 | Confident | 84.3 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 24% | 0.237 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -17.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | V85 Y86 | V85-G88 PolarHBondContact O-N 3.47Å; Y86-G88 PolarHBondContact O-N 2.97Å |
| 89 | F | 76 | Confident | 82.9 | Confident | 33 Ų | 33 | 58.6 Ų | 58.6 | 15% | 0.145 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.1 | -23.9 | -168 | -59.9 | -81.8 | 0 | 0 | 0 | 115.7 | V85 Y86 S87 L91 R125 F129 A132 R142 I143 | V85-F89 WeakPolarHBondContact O-CD2 3.48Å; Y86-F89 PolarHBondContact O-N 3.46Å; S87-F89 VanDerWaalsContact C-N 3.26Å; S87-F89 PolarHBondContact O-N 3.16Å; F89-L91 PolarHBondContact O-N 3.33Å; F89-R125 PolarHBondContact O-NH2 3.48Å; F89-F129 HydrophobicContact CB-CD2 3.61Å; F89-F129 HydrophobicContact CB-CE2 4.01Å; F89-F129 HydrophobicContact CD1-CB 4.36Å; F89-F129 AromaticContact CD1-CD2 3.48Å; F89-F129 HydrophobicContact CD1-CD2 3.48Å; F89-F129 VanDerWaalsContact CD1-CD2 3.48Å; F89-F129 HydrophobicContact CD1-CE2 4.19Å; F89-F129 HydrophobicContact CD1-CG 4.34Å; F89-F129 AromaticContact CD2-CD2 3.59Å; F89-F129 HydrophobicContact CD2-CD2 3.59Å; F89-F129 AromaticContact CD2-CE2 3.41Å; F89-F129 HydrophobicContact CD2-CE2 3.41Å; F89-F129 VanDerWaalsContact CD2-CE2 3.41Å; F89-F129 AromaticContact CE1-CD2 3.98Å; F89-F129 HydrophobicContact CE1-CD2 3.98Å; F89-F129 HydrophobicContact CE2-CD2 4.09Å; F89-F129 AromaticContact CE2-CE2 3.86Å; F89-F129 HydrophobicContact CE2-CE2 3.86Å; F89-F129 AromaticContact CG-CD2 3.27Å; F89-F129 HydrophobicContact CG-CD2 3.27Å; F89-F129 AromaticContact CG-CE2 3.61Å; F89-F129 HydrophobicContact CG-CE2 3.61Å; F89-F129 HydrophobicContact CG-CG 4.46Å; F89-F129 HydrophobicContact CZ-CD2 4.27Å; F89-F129 HydrophobicContact CZ-CE2 4.41Å; F89-A132 HydrophobicContact CE1-CB 3.68Å; F89-A132 HydrophobicContact CZ-CB 3.88Å; F89-R142 HydrophobicContact CZ-CB 4.38Å; F89-I143 HydrophobicContact CE2-CD1 4.35Å; F89-I143 HydrophobicContact CE2-CG1 3.81Å; F89-I143 HydrophobicContact CZ-CD1 3.75Å; F89-I143 HydrophobicContact CZ-CG1 3.53Å |
| 90 | G | 74.8 | Confident | 81.2 | Confident | 35 Ų | 35 | 67.6 Ų | 67.6 | 36% | 0.361 | 36% | 0.362 | S | S | . | . | trans | 63.7 | 34.9 | 172 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y86 R125 | Y86-G90 PolarHBondContact O-N 3.25Å; Y86-G90 VanDerWaalsContact O-N 3.11Å; G90-R125 VanDerWaalsContact O-CZ 3.31Å; G90-R125 PolarHBondContact O-NH2 3.04Å | ||
| 91 | L | 83.5 | Confident | 79.6 | Confident | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.016 | 40% | 0.395 | C | S | . | . | trans | -61 | 149.7 | 171.1 | -66.8 | 173.1 | 0 | 0 | 0 | 110.3 | L79 M81 Y86 F89 A93 F107 R125 L126 F129 | L79-L91 HydrophobicContact CD1-CD1 3.99Å; M81-L91 HydrophobicContact CE-CD1 4.29Å; M81-L91 HydrophobicContact SD-CD1 4.36Å; Y86-L91 WeakPolarHBondContact CE2-O 3.49Å; Y86-L91 VanDerWaalsContact CZ-O 3.26Å; Y86-L91 PolarHBondContact OH-O 3.43Å; F89-L91 PolarHBondContact O-N 3.33Å; L91-A93 PolarHBondContact O-N 2.85Å; L91-A93 VanDerWaalsContact O-N 3.09Å; L91-F107 HydrophobicContact CB-CD2 4.04Å; L91-F107 HydrophobicContact CB-CG 4.4Å; L91-F107 HydrophobicContact CD1-CD1 4.41Å; L91-F107 HydrophobicContact CD1-CG 4.23Å; L91-R125 HydrophobicContact CD2-CG 4.15Å; L91-L126 HydrophobicContact CD1-CD2 4.08Å; L91-L126 HydrophobicContact CD2-CD2 4.04Å; L91-F129 HydrophobicContact CD1-CD2 4.18Å; L91-F129 HydrophobicContact CD1-CE2 4.3Å; L91-F129 HydrophobicContact CD1-CG 4.43Å | ||
| 92 | S | 86.4 | Confident | 78.6 | Confident | 115 Ų | 115 | 79.3 Ų | 79.3 | 80% | 0.804 | 42% | 0.42 | S | S | * | . | trans | -76 | 102.4 | 174.2 | -171.8 | 0 | 0 | 0 | 0 | 109.2 | F107 | S92-F107 WeakPolarHBondContact O-CD2 3.39Š| ||
| 93 | A | 89.7 | Confident | 78.4 | Confident | 24 Ų | 24 | 82.2 Ų | 82.2 | 20% | 0.198 | 43% | 0.431 | C | S | . | . | trans | -124.8 | 157.4 | -172 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y86 L91 Y105 R106 F107 | Y86-A93 HydrophobicContact CD2-CB 4.13Å; Y86-A93 HydrophobicContact CE2-CB 3.49Å; Y86-A93 VanDerWaalsContact CE2-CB 3.49Å; L91-A93 PolarHBondContact O-N 2.85Å; L91-A93 VanDerWaalsContact O-N 3.09Å; A93-Y105 HydrophobicContact CB-CD1 4.46Å; A93-R106 WeakPolarHBondContact CA-O 3.27Å; A93-R106 WeakPolarHBondContact CB-O 3.23Å; A93-F107 HydrophobicContact CB-CB 4.27Å | ||
| 94 | K | 91 | Very high | 78.4 | Confident | 167 Ų | 167 | 80.8 Ų | 80.8 | 73% | 0.726 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 134.5 | 173 | -65.9 | -177.3 | -179.9 | 179.3 | 0 | 109.6 | V96 Y105 R106 | K94-V96 PolarHBondContact O-N 3.26Å; K94-Y105 CarbonylContact O-C 3.6Å; K94-Y105 WeakPolarHBondContact O-CA 3.2Å; K94-R106 PolarHBondContact N-O 3.01Å; K94-R106 PolarHBondContact O-N 3.17Å |
| 95 | K | 89.1 | Confident | 78.8 | Confident | 135 Ų | 135 | 78.9 Ų | 78.9 | 59% | 0.587 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 117.1 | 171.1 | -173.1 | 174.4 | 179.9 | 169.8 | 0 | 109 | F103 Y105 | K95-F103 HydrophobicContact CD-CD2 4.14Å; K95-F103 HydrophobicContact CD-CE2 4.49Å; K95-F103 VanDerWaalsContact CE-CG 3.43Å; K95-F103 HydrophobicContact CG-CB 4.33Å; K95-F103 HydrophobicContact CG-CD2 4.04Å; K95-F103 HydrophobicContact CG-CG 4.43Å; K95-Y105 HydrophobicContact CB-CD1 4.46Å; K95-Y105 HydrophobicContact CB-CE1 4.22Å |
| 96 | V | 85 | Confident | 79.1 | Confident | 49 Ų | 49 | 83.3 Ų | 83.3 | 30% | 0.297 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 122.7 | 177.5 | -175.4 | 0 | 0 | 0 | 0 | 107.9 | K94 F103 F104 R106 | K94-V96 PolarHBondContact O-N 3.26Å; V96-F103 WeakPolarHBondContact O-CA 3.2Å; V96-F104 PolarHBondContact N-O 3.36Å; V96-F104 PolarHBondContact O-N 3.22Å; V96-R106 HydrophobicContact CG2-CB 3.59Å |
| 97 | K | 76 | Confident | 79.4 | Confident | 154 Ų | 154 | 81.5 Ų | 81.5 | 67% | 0.67 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 125.8 | 178 | -169.2 | 173.6 | -178.5 | 177.6 | 0 | 109.1 | E99 | K97-E99 WeakPolarHBondContact CE-O 3.34Å; K97-E99 VanDerWaalsContact CG-O 3.29Å; K97-E99 WeakPolarHBondContact CG-O 3.49Å |
| 98 | Q | 66.2 | Low | 80 | Confident | 62 Ų | 62 | 82.5 Ų | 82.5 | 29% | 0.29 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 105.9 | 173.8 | -161.2 | 170.8 | 7.8 | 0 | 0 | 107.5 | Q102 F104 | Q98-Q102 CarbonylContact C-O 3.54Å; Q98-Q102 PolarHBondContact N-O 3.36Å; Q98-Q102 CarbonylContact O-C 3.55Å; Q98-Q102 PolarHBondContact O-N 3.22Å; Q98-F104 HydrophobicContact CB-CD2 4.13Å; Q98-F104 HydrophobicContact CB-CE2 4.39Å |
| 99 | E | 64 | Low | 81 | Confident | 110 Ų | 110 | 82.3 Ų | 82.3 | 51% | 0.514 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | -166.4 | -172.4 | -50.6 | -175.2 | 161.4 | 0 | 0 | 114.3 | K97 Q346 | K97-E99 WeakPolarHBondContact CE-O 3.34Å; K97-E99 VanDerWaalsContact CG-O 3.29Å; K97-E99 WeakPolarHBondContact CG-O 3.49Å; E99-Q346 WeakPolarHBondContact OE1-CG 3.31Å; E99-Q346 PolarHBondContact OE1-NE2 3.24Å; E99-Q346 PolarHBondContact OE2-NE2 3.38Å; E99-Q346 VanDerWaalsContact OE2-NE2 3.17Å |
| 100 | K | 57.2 | Low | 81.9 | Confident | 190 Ų | 190 | 83.8 Ų | 83.8 | 83% | 0.826 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -26.5 | -172.8 | -74.1 | -175 | 178 | 179.5 | 0 | 113.4 | ||
| 101 | I | 57.4 | Low | 82.8 | Confident | 157 Ų | 157 | 82.1 Ų | 82.1 | 81% | 0.805 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.2 | -25.3 | -164.8 | -60.9 | 164.9 | 0 | 0 | 0 | 113.8 | ||
| 102 | Q | 68.1 | Low | 83.2 | Confident | 112 Ų | 112 | 86 Ų | 86 | 52% | 0.523 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 147 | -179.5 | -79.7 | 179.3 | -11.8 | 0 | 0 | 112.5 | Q98 | Q98-Q102 CarbonylContact C-O 3.54Å; Q98-Q102 PolarHBondContact N-O 3.36Å; Q98-Q102 CarbonylContact O-C 3.55Å; Q98-Q102 PolarHBondContact O-N 3.22Å |
| 103 | F | 81.8 | Confident | 83.5 | Confident | 69 Ų | 69 | 82 Ų | 82 | 30% | 0.303 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 146.6 | 173 | 60.7 | -90.9 | 0 | 0 | 0 | 110 | P83 K95 V96 Y105 | P83-F103 HydrophobicContact CB-CE2 4.26Å; P83-F103 HydrophobicContact CG-CD2 3.97Å; P83-F103 HydrophobicContact CG-CE2 3.47Å; P83-F103 VanDerWaalsContact CG-CE2 3.47Å; P83-F103 HydrophobicContact CG-CZ 3.82Å; K95-F103 HydrophobicContact CD-CD2 4.14Å; K95-F103 HydrophobicContact CD-CE2 4.49Å; K95-F103 VanDerWaalsContact CE-CG 3.43Å; K95-F103 HydrophobicContact CG-CB 4.33Å; K95-F103 HydrophobicContact CG-CD2 4.04Å; K95-F103 HydrophobicContact CG-CG 4.43Å; V96-F103 WeakPolarHBondContact O-CA 3.2Å; F103-Y105 AromaticContact CD2-CE2 3.94Å; F103-Y105 HydrophobicContact CD2-CE2 3.94Å; F103-Y105 AromaticContact CE2-CE2 3.64Å; F103-Y105 HydrophobicContact CE2-CE2 3.64Å; F103-Y105 AromaticContact CE2-CZ 3.95Å |
| 104 | F | 87.2 | Confident | 83.4 | Confident | 25 Ų | 25 | 86.1 Ų | 86.1 | 11% | 0.11 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 158.5 | 175.7 | -72.7 | -97.6 | 0 | 0 | 0 | 109.7 | P66 M81 V96 Q98 | P66-F104 VanDerWaalsContact O-CE1 3.23Å; P66-F104 WeakPolarHBondContact O-CE1 3.36Å; P66-F104 WeakPolarHBondContact O-CZ 3.35Å; M81-F104 CarbonylContact O-C 3.59Å; M81-F104 WeakPolarHBondContact O-CA 3.02Å; V96-F104 PolarHBondContact N-O 3.36Å; V96-F104 PolarHBondContact O-N 3.22Å; Q98-F104 HydrophobicContact CB-CD2 4.13Å; Q98-F104 HydrophobicContact CB-CE2 4.39Å |
| 105 | Y | 91 | Very high | 83.3 | Confident | 50 Ų | 50 | 88.9 Ų | 88.9 | 20% | 0.196 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 114.7 | 168.7 | -70.3 | -88.1 | 0 | 0 | 0 | 108.3 | M81 P83 Y86 A93 K94 K95 F103 | M81-Y105 PolarHBondContact N-O 2.79Å; M81-Y105 PolarHBondContact O-N 2.84Å; P83-Y105 HydrophobicContact CB-CE2 4.19Å; P83-Y105 HydrophobicContact CG-CE2 4.21Å; Y86-Y105 AromaticContact CD1-CD1 3.8Å; Y86-Y105 HydrophobicContact CD1-CD1 3.8Å; Y86-Y105 AromaticContact CD1-CD2 3.62Å; Y86-Y105 HydrophobicContact CD1-CD2 3.62Å; Y86-Y105 AromaticContact CD1-CE1 3.95Å; Y86-Y105 HydrophobicContact CD1-CE1 3.95Å; Y86-Y105 AromaticContact CD1-CE2 3.77Å; Y86-Y105 HydrophobicContact CD1-CE2 3.77Å; Y86-Y105 AromaticContact CD1-CG 3.62Å; Y86-Y105 HydrophobicContact CD1-CG 3.62Å; Y86-Y105 AromaticContact CD1-CZ 3.93Å; Y86-Y105 VanDerWaalsContact CD2-CB 3.49Å; Y86-Y105 HydrophobicContact CD2-CD1 4.22Å; Y86-Y105 HydrophobicContact CD2-CD2 4.32Å; Y86-Y105 AromaticContact CD2-CG 3.77Å; Y86-Y105 HydrophobicContact CD2-CG 3.77Å; Y86-Y105 AromaticContact CE1-CD1 3.73Å; Y86-Y105 HydrophobicContact CE1-CD1 3.73Å; Y86-Y105 HydrophobicContact CE1-CD2 4.39Å; Y86-Y105 AromaticContact CE1-CE1 3.78Å; Y86-Y105 HydrophobicContact CE1-CE1 3.78Å; Y86-Y105 HydrophobicContact CE1-CE2 4.43Å; Y86-Y105 HydrophobicContact CE1-CG 4.04Å; Y86-Y105 HydrophobicContact CE2-CD1 4.16Å; Y86-Y105 HydrophobicContact CE2-CG 4.17Å; Y86-Y105 HydrophobicContact CG-CD1 4.05Å; Y86-Y105 AromaticContact CG-CD2 3.58Å; Y86-Y105 HydrophobicContact CG-CD2 3.58Å; Y86-Y105 HydrophobicContact CG-CE2 4.21Å; Y86-Y105 AromaticContact CG-CG 3.48Å; Y86-Y105 HydrophobicContact CG-CG 3.48Å; Y86-Y105 VanDerWaalsContact CG-CG 3.48Å; Y86-Y105 AromaticContact CZ-CD1 3.93Å; A93-Y105 HydrophobicContact CB-CD1 4.46Å; K94-Y105 CarbonylContact O-C 3.6Å; K94-Y105 WeakPolarHBondContact O-CA 3.2Å; K95-Y105 HydrophobicContact CB-CD1 4.46Å; K95-Y105 HydrophobicContact CB-CE1 4.22Å; F103-Y105 AromaticContact CD2-CE2 3.94Å; F103-Y105 HydrophobicContact CD2-CE2 3.94Å; F103-Y105 AromaticContact CE2-CE2 3.64Å; F103-Y105 HydrophobicContact CE2-CE2 3.64Å; F103-Y105 AromaticContact CE2-CZ 3.95Å |
| 106 | R | 92.2 | Very high | 83.5 | Confident | 93 Ų | 93 | 82.7 Ų | 82.7 | 35% | 0.351 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 116.3 | 178.4 | -179 | 165 | -69.7 | 166.3 | 0 | 110.5 | T78 L79 D80 A93 K94 V96 Q108 | T78-R106 HydrophobicContact CG2-CG 4.11Å; L79-R106 WeakPolarHBondContact O-CA 3.13Å; D80-R106 WeakPolarHBondContact OD1-CA 3.19Å; D80-R106 WeakPolarHBondContact OD1-CB 3.45Å; D80-R106 WeakPolarHBondContact OD1-CG 3.46Å; D80-R106 IonicContact OD1-CZ 3.81Å; D80-R106 IonicContact OD1-NE 2.85Å; D80-R106 PolarHBondContact OD1-NE 2.99Å; D80-R106 IonicContact OD1-NH2 3.04Å; D80-R106 IonicContact OD2-CZ 2.71Å; D80-R106 IonicContact OD2-NE 2.68Å; D80-R106 PolarHBondContact OD2-NE 2.87Å; D80-R106 IonicContact OD2-NH2 2.93Å; D80-R106 PolarHBondContact OD2-NH2 2.87Å; A93-R106 WeakPolarHBondContact CA-O 3.27Å; A93-R106 WeakPolarHBondContact CB-O 3.23Å; K94-R106 PolarHBondContact N-O 3.01Å; K94-R106 PolarHBondContact O-N 3.17Å; V96-R106 HydrophobicContact CG2-CB 3.59Å; R106-Q108 HydrophobicContact CG-CG 3.98Å |
| 107 | F | 93.9 | Very high | 83.7 | Confident | 12 Ų | 12 | 86.6 Ų | 86.6 | 5% | 0.053 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 138 | 166.9 | 171.2 | -92.7 | 0 | 0 | 0 | 109.4 | T78 L79 M81 L91 S92 A93 V109 L122 L126 | T78-F107 WeakPolarHBondContact CA-O 3.32Å; L79-F107 HydrophobicContact CB-CB 4.28Å; L79-F107 HydrophobicContact CB-CD1 4.47Å; L79-F107 HydrophobicContact CD1-CD1 3.93Å; L79-F107 HydrophobicContact CG-CD1 4.2Å; L79-F107 PolarHBondContact N-O 2.83Å; L79-F107 PolarHBondContact O-N 2.88Å; M81-F107 HydrophobicContact CE-CB 3.81Å; L91-F107 HydrophobicContact CB-CD2 4.04Å; L91-F107 HydrophobicContact CB-CG 4.4Å; L91-F107 HydrophobicContact CD1-CD1 4.41Å; L91-F107 HydrophobicContact CD1-CG 4.23Å; S92-F107 WeakPolarHBondContact O-CD2 3.39Å; A93-F107 HydrophobicContact CB-CB 4.27Å; F107-V109 HydrophobicContact CE1-CB 3.93Å; F107-V109 HydrophobicContact CE1-CG1 3.6Å; F107-V109 HydrophobicContact CZ-CB 3.82Å; F107-V109 HydrophobicContact CZ-CG1 3.9Å; F107-L122 HydrophobicContact CE2-CD1 4.22Å; F107-L122 HydrophobicContact CZ-CD1 4.04Å; F107-L122 HydrophobicContact CZ-CD2 4.47Å; F107-L126 HydrophobicContact CD1-CD2 4.45Å; F107-L126 HydrophobicContact CE1-CD1 4.15Å; F107-L126 HydrophobicContact CE1-CD2 3.75Å; F107-L126 HydrophobicContact CZ-CD1 4.17Å; F107-L126 HydrophobicContact CZ-CD2 4.05Å |
| 108 | Q | 94.8 | Very high | 83.9 | Confident | 115 Ų | 115 | 83.8 Ų | 83.8 | 54% | 0.537 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 137.4 | 176.5 | -71.6 | -173.1 | -42 | 0 | 0 | 111.3 | L77 T78 R106 | L77-Q108 VanDerWaalsContact O-CA 3.28Å; L77-Q108 WeakPolarHBondContact O-CA 3.2Å; T78-Q108 HydrophobicContact CG2-CG 3.87Å; T78-Q108 PolarHBondContact OG1-NE2 3.11Å; R106-Q108 HydrophobicContact CG-CG 3.98Å |
| 109 | V | 95.1 | Very high | 84.9 | Confident | 18 Ų | 18 | 85.3 Ų | 85.3 | 11% | 0.109 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 137.2 | 173.6 | 66.1 | 0 | 0 | 0 | 0 | 110.6 | I76 L77 F107 L111 F116 L122 L126 | I76-V109 CarbonylContact C-O 3.49Å; I76-V109 WeakPolarHBondContact CA-O 3.46Å; L77-V109 HydrophobicContact CB-CG1 3.9Å; L77-V109 HydrophobicContact CD2-CG1 4.04Å; L77-V109 HydrophobicContact CG-CG1 4.37Å; L77-V109 PolarHBondContact N-O 3Å; L77-V109 PolarHBondContact O-N 3.18Å; F107-V109 HydrophobicContact CE1-CB 3.93Å; F107-V109 HydrophobicContact CE1-CG1 3.6Å; F107-V109 HydrophobicContact CZ-CB 3.82Å; F107-V109 HydrophobicContact CZ-CG1 3.9Å; V109-L111 HydrophobicContact CG1-CD2 3.98Å; V109-F116 HydrophobicContact CG2-CD2 3.58Å; V109-F116 HydrophobicContact CG2-CE2 4.05Å; V109-F116 HydrophobicContact CG2-CG 4.33Å; V109-L122 HydrophobicContact CG2-CD2 3.94Å; V109-L126 HydrophobicContact CG1-CD1 4.09Å |
| 110 | D | 95.2 | Very high | 86.2 | Confident | 65 Ų | 65 | 80.5 Ų | 80.5 | 35% | 0.348 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 110.8 | 171.5 | 176.4 | 3.2 | 0 | 0 | 0 | 109.5 | I76 K112 S113 F116 | I76-D110 HydrophobicContact CG1-CB 4.32Å; D110-K112 VanDerWaalsContact C-N 3.27Å; D110-K112 PolarHBondContact O-N 3.11Å; D110-K112 WeakPolarHBondContact OD1-CA 3.4Å; D110-K112 VanDerWaalsContact OD1-CB 3.28Å; D110-K112 WeakPolarHBondContact OD1-CB 3.46Å; D110-K112 PolarHBondContact OD1-N 3.18Å; D110-S113 WeakPolarHBondContact O-CB 3.15Å; D110-S113 PolarHBondContact O-N 2.89Å; D110-S113 PolarHBondContact OD1-N 3.34Å; D110-F116 WeakPolarHBondContact O-CB 3.11Å |
| 111 | L | 94.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -74.5 | -17.9 | 179.9 | -57.5 | 177.4 | 0 | 0 | 0 | 112.7 | M43 F47 C52 I72 S75 L77 V109 F116 | M43-L111 HydrophobicContact CE-CD1 4.22Å; M43-L111 HydrophobicContact CE-CD2 3.86Å; F47-L111 HydrophobicContact CE1-CD1 4.21Å; C52-L111 HydrophobicContact CB-CB 4.09Å; I72-L111 HydrophobicContact CD1-CD1 4.23Å; S75-L111 WeakPolarHBondContact O-CB 3.28Å; S75-L111 PolarHBondContact O-N 3Å; L77-L111 HydrophobicContact CB-CD1 4.14Å; L77-L111 HydrophobicContact CB-CD2 4.41Å; L77-L111 HydrophobicContact CB-CG 4.19Å; V109-L111 HydrophobicContact CG1-CD2 3.98Å; L111-F116 HydrophobicContact CD2-CD1 4.07Å; L111-F116 HydrophobicContact CD2-CE1 3.63Å; L111-F116 HydrophobicContact CD2-CE2 4.27Å; L111-F116 HydrophobicContact CD2-CZ 3.74Å |
| 112 | K | 91.9 | Very high | 89.4 | Confident | 83 Ų | 83 | 72.7 Ų | 72.7 | 36% | 0.361 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -82.2 | -25.5 | 174.9 | -171 | 169 | -172.4 | 170.4 | 0 | 111.4 | C52 D110 D160 | C52-K112 WeakPolarHBondContact O-CG 3.34Å; D110-K112 VanDerWaalsContact C-N 3.27Å; D110-K112 PolarHBondContact O-N 3.11Å; D110-K112 WeakPolarHBondContact OD1-CA 3.4Å; D110-K112 VanDerWaalsContact OD1-CB 3.28Å; D110-K112 WeakPolarHBondContact OD1-CB 3.46Å; D110-K112 PolarHBondContact OD1-N 3.18Å; K112-D160 VanDerWaalsContact NZ-CG 3.27Å; K112-D160 IonicContact NZ-OD1 2.77Å; K112-D160 PolarHBondContact NZ-OD1 3.17Å; K112-D160 IonicContact NZ-OD2 2.81Å; K112-D160 PolarHBondContact NZ-OD2 2.74Å |
| 113 | S | 92.4 | Very high | 90.6 | Very high | 32 Ų | 32 | 67.5 Ų | 67.5 | 22% | 0.224 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -56.4 | 137.4 | -178.1 | -170.7 | 0 | 0 | 0 | 0 | 113.1 | D110 R115 F116 | D110-S113 WeakPolarHBondContact O-CB 3.15Å; D110-S113 PolarHBondContact O-N 2.89Å; D110-S113 PolarHBondContact OD1-N 3.34Å; S113-R115 PolarHBondContact O-N 3.26Å; S113-R115 PolarHBondContact OG-N 2.74Å; S113-F116 WeakPolarHBondContact O-CB 3.46Å; S113-F116 PolarHBondContact O-N 3.04Å |
| 114 | S | 87.5 | Confident | 91.1 | Very high | 110 Ų | 110 | 67.9 Ų | 67.9 | 77% | 0.769 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.1 | 171 | 57.9 | 0 | 0 | 0 | 0 | 113 | F116 | S114-F116 VanDerWaalsContact C-N 3.27Å; S114-F116 PolarHBondContact O-N 2.83Å |
| 115 | R | 89.5 | Confident | 91.2 | Very high | 226 Ų | 226 | 72.6 Ų | 72.6 | 85% | 0.853 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -24.5 | 174.5 | -61.4 | -176.8 | -178.6 | -178.1 | 0.7 | 112.3 | S113 Q117 | S113-R115 PolarHBondContact O-N 3.26Å; S113-R115 PolarHBondContact OG-N 2.74Å; R115-Q117 PolarHBondContact O-N 3.42Å; R115-Q117 VanDerWaalsContact O-N 3.1Å |
| 116 | F | 92.2 | Very high | 91.3 | Very high | 5 Ų | 5 | 70.2 Ų | 70.2 | 2% | 0.022 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -81.7 | 88.7 | 173.8 | -170.1 | -105.5 | 0 | 0 | 0 | 109.8 | M43 I48 R53 V109 D110 L111 S113 S114 L122 H123 L126 | M43-F116 HydrophobicContact SD-CZ 4.25Å; I48-F116 HydrophobicContact CD1-CE1 3.85Å; R53-F116 PolarHBondContact NH2-O 3.3Å; R53-F116 VanDerWaalsContact NH2-O 3.14Å; V109-F116 HydrophobicContact CG2-CD2 3.58Å; V109-F116 HydrophobicContact CG2-CE2 4.05Å; V109-F116 HydrophobicContact CG2-CG 4.33Å; D110-F116 WeakPolarHBondContact O-CB 3.11Å; L111-F116 HydrophobicContact CD2-CD1 4.07Å; L111-F116 HydrophobicContact CD2-CE1 3.63Å; L111-F116 HydrophobicContact CD2-CE2 4.27Å; L111-F116 HydrophobicContact CD2-CZ 3.74Å; S113-F116 WeakPolarHBondContact O-CB 3.46Å; S113-F116 PolarHBondContact O-N 3.04Å; S114-F116 VanDerWaalsContact C-N 3.27Å; S114-F116 PolarHBondContact O-N 2.83Å; F116-L122 HydrophobicContact CD2-CD2 4.11Å; F116-L122 HydrophobicContact CE2-CD2 4.14Å; F116-L122 HydrophobicContact CE2-CG 4.13Å; F116-H123 HydrophobicContact CE1-CB 4.48Å; F116-H123 HydrophobicContact CE2-CB 4.35Å; F116-H123 HydrophobicContact CZ-CB 3.94Å; F116-H123 AromaticContact CZ-CD2 3.85Å; F116-L126 HydrophobicContact CE2-CD1 3.95Å; F116-L126 HydrophobicContact CZ-CD1 4.21Å |
| 117 | Q | 88.8 | Confident | 91.3 | Very high | 131 Ų | 131 | 69.2 Ų | 69.2 | 61% | 0.612 | 34% | 0.342 | S | S | * | . | trans | -76.8 | 132.7 | -177.4 | -66.8 | -175.3 | -6.6 | 0 | 0 | 111.8 | R115 N119 G120 | R115-Q117 PolarHBondContact O-N 3.42Å; R115-Q117 VanDerWaalsContact O-N 3.1Å; Q117-N119 PolarHBondContact O-N 3.29Å; Q117-G120 PolarHBondContact O-N 3.46Å | ||
| 118 | R | 81.4 | Confident | 91 | Very high | 94 Ų | 94 | 72.6 Ų | 72.6 | 36% | 0.355 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 134.2 | 172.2 | -61.4 | -173.6 | -167 | 162.3 | 8.7 | 109.1 | E45 A49 R53 G120 | E45-R118 WeakPolarHBondContact OE1-CD 3.38Å; E45-R118 IonicContact OE1-CZ 3.7Å; E45-R118 IonicContact OE1-NE 3.9Å; E45-R118 IonicContact OE1-NH1 3.19Å; E45-R118 PolarHBondContact OE1-NH1 3.43Å; A49-R118 VanDerWaalsContact CB-CZ 3.43Å; R53-R118 VanDerWaalsContact NH1-NE 3.17Å; R53-R118 VanDerWaalsContact NH1-NH2 3.18Å; R118-G120 PolarHBondContact O-N 2.95Å |
| 119 | N | 86.5 | Confident | 90.8 | Very high | 94 Ų | 94 | 67.2 Ų | 67.2 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 14.8 | -173.6 | -57 | -36 | 0 | 0 | 0 | 114.6 | Q117 H123 | Q117-N119 PolarHBondContact O-N 3.29Å; N119-H123 WeakPolarHBondContact CA-ND1 3.46Å; N119-H123 PolarHBondContact N-ND1 3.14Å |
| 120 | G | 90.6 | Very high | 90.6 | Very high | 9 Ų | 9 | 66.4 Ų | 66.4 | 9% | 0.093 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -68.3 | 169 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q117 R118 L122 H123 T124 | Q117-G120 PolarHBondContact O-N 3.46Å; R118-G120 PolarHBondContact O-N 2.95Å; G120-L122 VanDerWaalsContact C-N 3.28Å; G120-L122 PolarHBondContact O-N 3.19Å; G120-H123 PolarHBondContact O-N 3.16Å; G120-T124 PolarHBondContact O-N 2.9Å; G120-T124 PolarHBondContact O-OG1 3.4Å |
| 121 | P | 91.3 | Very high | 90.3 | Very high | 116 Ų | 116 | 69.1 Ų | 69.1 | 75% | 0.753 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -54.3 | -42.5 | -175.5 | -27.2 | 34.4 | 0 | 0 | 0 | 113.5 | R125 | P121-R125 WeakPolarHBondContact O-CB 3.41Å; P121-R125 PolarHBondContact O-N 2.84Å |
| 122 | L | 91.8 | Very high | 90 | Very high | 68 Ų | 68 | 69.4 Ų | 69.4 | 36% | 0.356 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.4 | -42.8 | 178.7 | -177.9 | 59.9 | 0 | 0 | 0 | 112.2 | F107 V109 F116 G120 R125 L126 | F107-L122 HydrophobicContact CE2-CD1 4.22Å; F107-L122 HydrophobicContact CZ-CD1 4.04Å; F107-L122 HydrophobicContact CZ-CD2 4.47Å; V109-L122 HydrophobicContact CG2-CD2 3.94Å; F116-L122 HydrophobicContact CD2-CD2 4.11Å; F116-L122 HydrophobicContact CE2-CD2 4.14Å; F116-L122 HydrophobicContact CE2-CG 4.13Å; G120-L122 VanDerWaalsContact C-N 3.28Å; G120-L122 PolarHBondContact O-N 3.19Å; L122-R125 PolarHBondContact O-N 3.05Å; L122-L126 HydrophobicContact CD1-CD1 4.37Å; L122-L126 HydrophobicContact CD1-CG 4.31Å; L122-L126 HydrophobicContact CG-CD1 4.2Å; L122-L126 WeakPolarHBondContact O-CG 3.46Å; L122-L126 PolarHBondContact O-N 2.85Å |
| 123 | H | 93.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.009 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 177.8 | 177.5 | -131.1 | 0 | 0 | 0 | 111.4 | M43 I48 F116 N119 G120 R125 L126 R127 | M43-H123 PolarHBondContact O-NE2 2.9Å; I48-H123 WeakPolarHBondContact CD1-NE2 3.37Å; F116-H123 HydrophobicContact CE1-CB 4.48Å; F116-H123 HydrophobicContact CE2-CB 4.35Å; F116-H123 HydrophobicContact CZ-CB 3.94Å; F116-H123 AromaticContact CZ-CD2 3.85Å; N119-H123 WeakPolarHBondContact CA-ND1 3.46Å; N119-H123 PolarHBondContact N-ND1 3.14Å; G120-H123 PolarHBondContact O-N 3.16Å; H123-R125 VanDerWaalsContact C-N 3.29Å; H123-R125 PolarHBondContact O-N 3.48Å; H123-L126 PolarHBondContact O-N 2.88Å; H123-R127 PolarHBondContact CE1-NH2 3.26Å; H123-R127 WeakPolarHBondContact O-CB 3.34Å; H123-R127 PolarHBondContact O-N 3.46Å |
| 124 | T | 91.3 | Very high | 89.3 | Confident | 77 Ų | 77 | 67.4 Ų | 67.4 | 47% | 0.472 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 176.2 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | G120 R127 S128 | G120-T124 PolarHBondContact O-N 2.9Å; G120-T124 PolarHBondContact O-OG1 3.4Å; T124-R127 PolarHBondContact O-N 3.14Å; T124-S128 PolarHBondContact O-N 3.27Å |
| 125 | R | 90.2 | Very high | 89.1 | Confident | 124 Ų | 124 | 64.9 Ų | 64.9 | 47% | 0.468 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.5 | -46.1 | 176.3 | -170.9 | 171.4 | -171.5 | 157.2 | 4.9 | 112.6 | F89 G90 L91 P121 L122 H123 R127 S128 F129 | F89-R125 PolarHBondContact O-NH2 3.48Å; G90-R125 VanDerWaalsContact O-CZ 3.31Å; G90-R125 PolarHBondContact O-NH2 3.04Å; L91-R125 HydrophobicContact CD2-CG 4.15Å; P121-R125 WeakPolarHBondContact O-CB 3.41Å; P121-R125 PolarHBondContact O-N 2.84Å; L122-R125 PolarHBondContact O-N 3.05Å; H123-R125 VanDerWaalsContact C-N 3.29Å; H123-R125 PolarHBondContact O-N 3.48Å; R125-R127 VanDerWaalsContact C-N 3.33Å; R125-S128 PolarHBondContact O-N 2.95Å; R125-F129 WeakPolarHBondContact O-CB 3.24Å; R125-F129 PolarHBondContact O-N 2.75Å |
| 126 | L | 92.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.1 | -37.5 | 176.3 | -72.2 | 172.4 | 0 | 0 | 0 | 112 | M43 L77 L79 L91 F107 V109 F116 L122 H123 S128 F129 F130 | M43-L126 HydrophobicContact CG-CB 4.01Å; M43-L126 HydrophobicContact SD-CB 3.5Å; M43-L126 VanDerWaalsContact SD-CB 3.5Å; M43-L126 HydrophobicContact SD-CD1 3.91Å; M43-L126 HydrophobicContact SD-CG 4.35Å; L77-L126 HydrophobicContact CD2-CD1 4.36Å; L79-L126 HydrophobicContact CD1-CD2 4.44Å; L91-L126 HydrophobicContact CD1-CD2 4.08Å; L91-L126 HydrophobicContact CD2-CD2 4.04Å; F107-L126 HydrophobicContact CD1-CD2 4.45Å; F107-L126 HydrophobicContact CE1-CD1 4.15Å; F107-L126 HydrophobicContact CE1-CD2 3.75Å; F107-L126 HydrophobicContact CZ-CD1 4.17Å; F107-L126 HydrophobicContact CZ-CD2 4.05Å; V109-L126 HydrophobicContact CG1-CD1 4.09Å; F116-L126 HydrophobicContact CE2-CD1 3.95Å; F116-L126 HydrophobicContact CZ-CD1 4.21Å; L122-L126 HydrophobicContact CD1-CD1 4.37Å; L122-L126 HydrophobicContact CD1-CG 4.31Å; L122-L126 HydrophobicContact CG-CD1 4.2Å; L122-L126 WeakPolarHBondContact O-CG 3.46Å; L122-L126 PolarHBondContact O-N 2.85Å; H123-L126 PolarHBondContact O-N 2.88Å; L126-S128 VanDerWaalsContact C-N 3.34Å; L126-S128 PolarHBondContact O-N 3.08Å; L126-F129 WeakPolarHBondContact O-CB 3.37Å; L126-F129 PolarHBondContact O-N 2.82Å; L126-F130 HydrophobicContact CB-CE2 4.42Å; L126-F130 WeakPolarHBondContact O-CD2 3.34Å; L126-F130 PolarHBondContact O-N 2.96Å |
| 127 | R | 91.6 | Very high | 88.4 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 28% | 0.275 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 173.6 | -175.7 | -178.9 | -71.3 | 176.1 | -6.8 | 111.4 | M43 H123 T124 R125 K131 | M43-R127 HydrophobicContact CB-CB 4.03Å; M43-R127 HydrophobicContact CB-CG 4.44Å; M43-R127 PolarHBondContact O-NE 2.97Å; M43-R127 PolarHBondContact O-NH2 2.94Å; H123-R127 PolarHBondContact CE1-NH2 3.26Å; H123-R127 WeakPolarHBondContact O-CB 3.34Å; H123-R127 PolarHBondContact O-N 3.46Å; T124-R127 PolarHBondContact O-N 3.14Å; R125-R127 VanDerWaalsContact C-N 3.33Å; R127-K131 HydrophobicContact CG-CD 4.45Å; R127-K131 WeakPolarHBondContact O-CB 3.36Å; R127-K131 VanDerWaalsContact O-CG 3.31Å; R127-K131 WeakPolarHBondContact O-CG 3.36Å; R127-K131 PolarHBondContact O-N 2.8Å |
| 128 | S | 88.8 | Confident | 88 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 57% | 0.573 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.2 | -44.6 | 174.8 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | T124 R125 L126 F130 K131 A132 | T124-S128 PolarHBondContact O-N 3.27Å; R125-S128 PolarHBondContact O-N 2.95Å; L126-S128 VanDerWaalsContact C-N 3.34Å; L126-S128 PolarHBondContact O-N 3.08Å; S128-F130 PolarHBondContact O-N 2.95Å; S128-K131 PolarHBondContact O-N 2.88Å; S128-A132 PolarHBondContact O-N 2.82Å; S128-A132 VanDerWaalsContact O-N 3.15Å |
| 129 | F | 89.8 | Confident | 87.9 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 1% | 0.013 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -53.6 | -53.6 | 175.1 | 172.7 | -95 | 0 | 0 | 0 | 111.8 | F68 L79 M81 F89 L91 R125 L126 A132 F133 | F68-F129 HydrophobicContact CE2-CE1 4.33Å; F68-F129 AromaticContact CE2-CZ 3.9Å; F68-F129 HydrophobicContact CE2-CZ 3.9Å; F68-F129 HydrophobicContact CZ-CE1 4.17Å; F68-F129 HydrophobicContact CZ-CZ 4.14Å; L79-F129 HydrophobicContact CD1-CD1 4.26Å; L79-F129 HydrophobicContact CD1-CE1 3.68Å; L79-F129 HydrophobicContact CD1-CZ 4.11Å; M81-F129 HydrophobicContact SD-CE2 4.18Å; M81-F129 HydrophobicContact SD-CZ 4.14Å; F89-F129 HydrophobicContact CB-CD2 3.61Å; F89-F129 HydrophobicContact CB-CE2 4.01Å; F89-F129 HydrophobicContact CD1-CB 4.36Å; F89-F129 AromaticContact CD1-CD2 3.48Å; F89-F129 HydrophobicContact CD1-CD2 3.48Å; F89-F129 VanDerWaalsContact CD1-CD2 3.48Å; F89-F129 HydrophobicContact CD1-CE2 4.19Å; F89-F129 HydrophobicContact CD1-CG 4.34Å; F89-F129 AromaticContact CD2-CD2 3.59Å; F89-F129 HydrophobicContact CD2-CD2 3.59Å; F89-F129 AromaticContact CD2-CE2 3.41Å; F89-F129 HydrophobicContact CD2-CE2 3.41Å; F89-F129 VanDerWaalsContact CD2-CE2 3.41Å; F89-F129 AromaticContact CE1-CD2 3.98Å; F89-F129 HydrophobicContact CE1-CD2 3.98Å; F89-F129 HydrophobicContact CE2-CD2 4.09Å; F89-F129 AromaticContact CE2-CE2 3.86Å; F89-F129 HydrophobicContact CE2-CE2 3.86Å; F89-F129 AromaticContact CG-CD2 3.27Å; F89-F129 HydrophobicContact CG-CD2 3.27Å; F89-F129 AromaticContact CG-CE2 3.61Å; F89-F129 HydrophobicContact CG-CE2 3.61Å; F89-F129 HydrophobicContact CG-CG 4.46Å; F89-F129 HydrophobicContact CZ-CD2 4.27Å; F89-F129 HydrophobicContact CZ-CE2 4.41Å; L91-F129 HydrophobicContact CD1-CD2 4.18Å; L91-F129 HydrophobicContact CD1-CE2 4.3Å; L91-F129 HydrophobicContact CD1-CG 4.43Å; R125-F129 WeakPolarHBondContact O-CB 3.24Å; R125-F129 PolarHBondContact O-N 2.75Å; L126-F129 WeakPolarHBondContact O-CB 3.37Å; L126-F129 PolarHBondContact O-N 2.82Å; F129-A132 WeakPolarHBondContact O-CB 3.14Å; F129-A132 PolarHBondContact O-N 2.8Å; F129-F133 HydrophobicContact CD1-CE2 4.07Å; F129-F133 HydrophobicContact CE1-CD2 4.44Å; F129-F133 AromaticContact CE1-CE2 3.51Å; F129-F133 HydrophobicContact CE1-CE2 3.51Å; F129-F133 HydrophobicContact CE1-CZ 4.09Å; F129-F133 HydrophobicContact CE2-CE2 4.04Å; F129-F133 AromaticContact CZ-CE2 3.49Å; F129-F133 HydrophobicContact CZ-CE2 3.49Å; F129-F133 VanDerWaalsContact CZ-CE2 3.49Å; F129-F133 AromaticContact CZ-CZ 3.8Å; F129-F133 HydrophobicContact CZ-CZ 3.8Å; F129-F133 WeakPolarHBondContact O-CD2 3.44Å |
| 130 | F | 91.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -72.8 | -32.5 | -177.6 | -67.6 | -52.3 | 0 | 0 | 0 | 113.6 | P39 M43 L70 L77 L79 L126 S128 A132 F133 | P39-F130 HydrophobicContact CB-CB 4.01Å; P39-F130 HydrophobicContact CB-CD1 3.55Å; P39-F130 HydrophobicContact CB-CE1 4.2Å; P39-F130 HydrophobicContact CB-CG 3.94Å; P39-F130 HydrophobicContact CG-CB 4.2Å; P39-F130 HydrophobicContact CG-CD1 4.22Å; P39-F130 WeakPolarHBondContact O-CB 3.37Å; P39-F130 WeakPolarHBondContact O-CG 3.35Å; M43-F130 HydrophobicContact CE-CE2 3.89Å; M43-F130 HydrophobicContact CG-CD2 3.4Å; M43-F130 HydrophobicContact CG-CE2 3.71Å; M43-F130 HydrophobicContact SD-CD2 4.37Å; M43-F130 HydrophobicContact SD-CE2 4.1Å; L70-F130 HydrophobicContact CD1-CD1 4.37Å; L70-F130 HydrophobicContact CD1-CE1 3.58Å; L70-F130 HydrophobicContact CD1-CZ 4.16Å; L77-F130 HydrophobicContact CD1-CZ 4.22Å; L77-F130 HydrophobicContact CD2-CE2 3.96Å; L77-F130 HydrophobicContact CD2-CZ 3.82Å; L79-F130 HydrophobicContact CD1-CE1 4.35Å; L79-F130 HydrophobicContact CD1-CZ 4.14Å; L79-F130 HydrophobicContact CD2-CE1 3.99Å; L79-F130 HydrophobicContact CD2-CZ 4.01Å; L126-F130 HydrophobicContact CB-CE2 4.42Å; L126-F130 WeakPolarHBondContact O-CD2 3.34Å; L126-F130 PolarHBondContact O-N 2.96Å; S128-F130 PolarHBondContact O-N 2.95Å; F130-A132 PolarHBondContact O-N 2.91Å; F130-F133 WeakPolarHBondContact O-CB 3.46Å; F130-F133 PolarHBondContact O-N 3.12Å; F130-F133 VanDerWaalsContact O-N 3.08Å |
| 131 | K | 89.6 | Confident | 86.7 | Confident | 122 Ų | 122 | 61 Ų | 61 | 53% | 0.53 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.3 | -26.3 | 171.7 | -80.6 | -173.1 | 174.9 | -165.4 | 0 | 113 | A40 R127 S128 F133 T134 N135 | A40-K131 HydrophobicContact CB-CG 4.1Å; R127-K131 HydrophobicContact CG-CD 4.45Å; R127-K131 WeakPolarHBondContact O-CB 3.36Å; R127-K131 VanDerWaalsContact O-CG 3.31Å; R127-K131 WeakPolarHBondContact O-CG 3.36Å; R127-K131 PolarHBondContact O-N 2.8Å; S128-K131 PolarHBondContact O-N 2.88Å; K131-F133 VanDerWaalsContact C-N 3.28Å; K131-F133 PolarHBondContact O-N 2.84Å; K131-T134 PolarHBondContact O-N 2.81Å; K131-T134 PolarHBondContact O-OG1 2.92Å; K131-T134 VanDerWaalsContact O-OG1 3.13Å; K131-N135 PolarHBondContact O-N 3.21Å |
| 132 | A | 87.6 | Confident | 85.9 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 5% | 0.05 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.7 | -30.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F89 S128 F129 F130 T134 N135 E138 I143 | F89-A132 HydrophobicContact CE1-CB 3.68Å; F89-A132 HydrophobicContact CZ-CB 3.88Å; S128-A132 PolarHBondContact O-N 2.82Å; S128-A132 VanDerWaalsContact O-N 3.15Å; F129-A132 WeakPolarHBondContact O-CB 3.14Å; F129-A132 PolarHBondContact O-N 2.8Å; F130-A132 PolarHBondContact O-N 2.91Å; A132-T134 PolarHBondContact O-N 2.78Å; A132-N135 PolarHBondContact O-N 3.35Å; A132-E138 HydrophobicContact CB-CB 4.07Å; A132-E138 HydrophobicContact CB-CG 3.99Å; A132-E138 WeakPolarHBondContact O-CB 3.34Å; A132-I143 HydrophobicContact CB-CD1 3.71Å; A132-I143 WeakPolarHBondContact O-CD1 3.48Å |
| 133 | F | 86.8 | Confident | 85.3 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 1% | 0.013 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66 | -26.1 | 177.4 | -74.8 | -102.7 | 0 | 0 | 0 | 112.8 | P39 F68 F129 F130 K131 I143 L147 L150 | P39-F133 HydrophobicContact CG-CB 3.78Å; P39-F133 HydrophobicContact CG-CG 4.21Å; F68-F133 AromaticContact CD1-CE1 3.88Å; F68-F133 HydrophobicContact CD1-CE1 3.88Å; F68-F133 HydrophobicContact CD1-CZ 4.18Å; F68-F133 HydrophobicContact CD2-CZ 4.48Å; F68-F133 AromaticContact CE1-CE1 3.63Å; F68-F133 HydrophobicContact CE1-CE1 3.63Å; F68-F133 AromaticContact CE1-CZ 3.71Å; F68-F133 HydrophobicContact CE1-CZ 3.71Å; F68-F133 HydrophobicContact CE2-CZ 4.06Å; F68-F133 HydrophobicContact CG-CE1 4.49Å; F68-F133 HydrophobicContact CZ-CE1 4.06Å; F68-F133 HydrophobicContact CZ-CE2 4.41Å; F68-F133 AromaticContact CZ-CZ 3.63Å; F68-F133 HydrophobicContact CZ-CZ 3.63Å; F129-F133 HydrophobicContact CD1-CE2 4.07Å; F129-F133 HydrophobicContact CE1-CD2 4.44Å; F129-F133 AromaticContact CE1-CE2 3.51Å; F129-F133 HydrophobicContact CE1-CE2 3.51Å; F129-F133 HydrophobicContact CE1-CZ 4.09Å; F129-F133 HydrophobicContact CE2-CE2 4.04Å; F129-F133 AromaticContact CZ-CE2 3.49Å; F129-F133 HydrophobicContact CZ-CE2 3.49Å; F129-F133 VanDerWaalsContact CZ-CE2 3.49Å; F129-F133 AromaticContact CZ-CZ 3.8Å; F129-F133 HydrophobicContact CZ-CZ 3.8Å; F129-F133 WeakPolarHBondContact O-CD2 3.44Å; F130-F133 WeakPolarHBondContact O-CB 3.46Å; F130-F133 PolarHBondContact O-N 3.12Å; F130-F133 VanDerWaalsContact O-N 3.08Å; K131-F133 VanDerWaalsContact C-N 3.28Å; K131-F133 PolarHBondContact O-N 2.84Å; F133-I143 HydrophobicContact CB-CD1 4.22Å; F133-I143 HydrophobicContact CD1-CD1 4.12Å; F133-I143 HydrophobicContact CD1-CG2 4.12Å; F133-I143 HydrophobicContact CD2-CD1 3.57Å; F133-I143 HydrophobicContact CE1-CD1 4.37Å; F133-I143 HydrophobicContact CE1-CG2 4.06Å; F133-I143 HydrophobicContact CE2-CD1 3.83Å; F133-I143 HydrophobicContact CG-CD1 3.71Å; F133-I143 HydrophobicContact CZ-CD1 4.23Å; F133-L147 HydrophobicContact CD1-CB 4.28Å; F133-L147 HydrophobicContact CE1-CB 4.05Å; F133-L147 HydrophobicContact CE1-CD1 4.23Å; F133-L150 HydrophobicContact CD1-CD1 4.33Å; F133-L150 HydrophobicContact CD1-CD2 4.37Å; F133-L150 HydrophobicContact CD1-CG 4.48Å; F133-L150 HydrophobicContact CE1-CD2 4.42Å |
| 134 | T | 82.1 | Confident | 84.7 | Confident | 70 Ų | 70 | 59.4 Ų | 59.4 | 43% | 0.429 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -1.5 | 179.1 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | D38 K131 A132 P136 | D38-T134 VanDerWaalsContact OD1-CG2 3.28Å; D38-T134 WeakPolarHBondContact OD1-CG2 3.35Å; K131-T134 PolarHBondContact O-N 2.81Å; K131-T134 PolarHBondContact O-OG1 2.92Å; K131-T134 VanDerWaalsContact O-OG1 3.13Å; A132-T134 PolarHBondContact O-N 2.78Å; T134-P136 WeakPolarHBondContact O-CD 3.47Å |
| 135 | N | 84.6 | Confident | 84.3 | Confident | 57 Ų | 57 | 63.1 Ų | 63.1 | 31% | 0.305 | 33% | 0.334 | S | S | . | . | trans | -94.4 | 114 | 177.3 | -175.4 | -7.3 | 0 | 0 | 0 | 110.7 | K131 A132 L137 E138 L139 | K131-N135 PolarHBondContact O-N 3.21Å; A132-N135 PolarHBondContact O-N 3.35Å; N135-L137 PolarHBondContact O-N 2.93Å; N135-L137 WeakPolarHBondContact OD1-CB 3.47Å; N135-L137 PolarHBondContact OD1-N 3.41Å; N135-E138 HydrophobicContact CB-CB 4.25Å; N135-E138 HydrophobicContact CB-CG 3.81Å; N135-E138 PolarHBondContact O-N 2.93Å; N135-L139 PolarHBondContact O-N 2.97Å | ||
| 136 | P | 81.9 | Confident | 83.7 | Confident | 103 Ų | 103 | 63.6 Ų | 63.6 | 67% | 0.669 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -27.1 | 179 | -25.5 | 34.9 | 0 | 0 | 0 | 114.5 | T134 E138 | T134-P136 WeakPolarHBondContact O-CD 3.47Å; P136-E138 VanDerWaalsContact C-N 3.34Å |
| 137 | L | 83.7 | Confident | 83.2 | Confident | 142 Ų | 142 | 63.6 Ų | 63.6 | 74% | 0.743 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -24.7 | 179.3 | -61 | 172.9 | 0 | 0 | 0 | 113.2 | N135 T141 | N135-L137 PolarHBondContact O-N 2.93Å; N135-L137 WeakPolarHBondContact OD1-CB 3.47Å; N135-L137 PolarHBondContact OD1-N 3.41Å; L137-T141 PolarHBondContact O-OG1 3.28Å; L137-T141 VanDerWaalsContact O-OG1 3.11Å |
| 138 | E | 82.1 | Confident | 82.6 | Confident | 32 Ų | 32 | 61.5 Ų | 61.5 | 15% | 0.15 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -21.5 | 179.4 | -59.6 | -73.4 | -169.8 | 0 | 0 | 111.7 | A132 N135 P136 T141 R142 I143 | A132-E138 HydrophobicContact CB-CB 4.07Å; A132-E138 HydrophobicContact CB-CG 3.99Å; A132-E138 WeakPolarHBondContact O-CB 3.34Å; N135-E138 HydrophobicContact CB-CB 4.25Å; N135-E138 HydrophobicContact CB-CG 3.81Å; N135-E138 PolarHBondContact O-N 2.93Å; P136-E138 VanDerWaalsContact C-N 3.34Å; E138-T141 WeakPolarHBondContact CA-OG1 3.27Å; E138-T141 PolarHBondContact O-N 3.48Å; E138-T141 PolarHBondContact O-OG1 3.11Å; E138-T141 VanDerWaalsContact O-OG1 3.07Å; E138-R142 PolarHBondContact O-N 3.45Å; E138-R142 VanDerWaalsContact O-N 3.13Å; E138-R142 IonicContact OE1-CZ 2.62Å; E138-R142 IonicContact OE1-NE 2.66Å; E138-R142 IonicContact OE1-NH2 3.18Å; E138-R142 PolarHBondContact OE1-NH2 3.44Å; E138-R142 IonicContact OE2-CZ 3.33Å; E138-R142 IonicContact OE2-NE 3.01Å; E138-R142 PolarHBondContact OE2-NE 3.28Å; E138-R142 IonicContact OE2-NH2 2.65Å; E138-R142 PolarHBondContact OE2-NH2 2.98Å; E138-I143 PolarHBondContact O-N 3.42Å; E138-I143 VanDerWaalsContact O-N 3.08Å |
| 139 | L | 78.5 | Confident | 82.2 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 22% | 0.22 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -72.4 | 128.4 | 174.3 | -65.4 | 177.3 | 0 | 0 | 0 | 110.3 | N135 T141 I143 | N135-L139 PolarHBondContact O-N 2.97Å; L139-T141 VanDerWaalsContact C-N 3.27Å; L139-T141 PolarHBondContact O-N 3.49Å; L139-I143 HydrophobicContact CD2-CB 4.15Å; L139-I143 HydrophobicContact CD2-CG2 3.86Å |
| 140 | G | 74.7 | Confident | 81.9 | Confident | 54 Ų | 54 | 62.1 Ų | 62.1 | 56% | 0.557 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | -10 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | I143 | G140-I143 PolarHBondContact N-O 3.33Š|
| 141 | T | 77.4 | Confident | 81.3 | Confident | 104 Ų | 104 | 63.1 Ų | 63.1 | 64% | 0.638 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -71.4 | 176.6 | 57 | 0 | 0 | 0 | 0 | 111.3 | L137 E138 L139 | L137-T141 PolarHBondContact O-OG1 3.28Å; L137-T141 VanDerWaalsContact O-OG1 3.11Å; E138-T141 WeakPolarHBondContact CA-OG1 3.27Å; E138-T141 PolarHBondContact O-N 3.48Å; E138-T141 PolarHBondContact O-OG1 3.11Å; E138-T141 VanDerWaalsContact O-OG1 3.07Å; L139-T141 VanDerWaalsContact C-N 3.27Å; L139-T141 PolarHBondContact O-N 3.49Å |
| 142 | R | 74.6 | Confident | 81.3 | Confident | 126 Ų | 126 | 59.4 Ų | 59.4 | 48% | 0.475 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -23.3 | 178.3 | -77.7 | -174.3 | -89.1 | -171.5 | -7.7 | 113.1 | F89 E138 | F89-R142 HydrophobicContact CZ-CB 4.38Å; E138-R142 PolarHBondContact O-N 3.45Å; E138-R142 VanDerWaalsContact O-N 3.13Å; E138-R142 IonicContact OE1-CZ 2.62Å; E138-R142 IonicContact OE1-NE 2.66Å; E138-R142 IonicContact OE1-NH2 3.18Å; E138-R142 PolarHBondContact OE1-NH2 3.44Å; E138-R142 IonicContact OE2-CZ 3.33Å; E138-R142 IonicContact OE2-NE 3.01Å; E138-R142 PolarHBondContact OE2-NE 3.28Å; E138-R142 IonicContact OE2-NH2 2.65Å; E138-R142 PolarHBondContact OE2-NH2 2.98Å |
| 143 | I | 78.9 | Confident | 81.5 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -121.5 | 125.5 | -179.9 | -60.2 | -179.8 | 0 | 0 | 0 | 108.6 | F89 A132 F133 E138 L139 G140 Q145 L147 | F89-I143 HydrophobicContact CE2-CD1 4.35Å; F89-I143 HydrophobicContact CE2-CG1 3.81Å; F89-I143 HydrophobicContact CZ-CD1 3.75Å; F89-I143 HydrophobicContact CZ-CG1 3.53Å; A132-I143 HydrophobicContact CB-CD1 3.71Å; A132-I143 WeakPolarHBondContact O-CD1 3.48Å; F133-I143 HydrophobicContact CB-CD1 4.22Å; F133-I143 HydrophobicContact CD1-CD1 4.12Å; F133-I143 HydrophobicContact CD1-CG2 4.12Å; F133-I143 HydrophobicContact CD2-CD1 3.57Å; F133-I143 HydrophobicContact CE1-CD1 4.37Å; F133-I143 HydrophobicContact CE1-CG2 4.06Å; F133-I143 HydrophobicContact CE2-CD1 3.83Å; F133-I143 HydrophobicContact CG-CD1 3.71Å; F133-I143 HydrophobicContact CZ-CD1 4.23Å; E138-I143 PolarHBondContact O-N 3.42Å; E138-I143 VanDerWaalsContact O-N 3.08Å; L139-I143 HydrophobicContact CD2-CB 4.15Å; L139-I143 HydrophobicContact CD2-CG2 3.86Å; G140-I143 PolarHBondContact N-O 3.33Å; I143-Q145 PolarHBondContact O-N 3.35Å; I143-L147 HydrophobicContact CG2-CB 3.73Å; I143-L147 HydrophobicContact CG2-CD1 4.12Å; I143-L147 HydrophobicContact CG2-CG 4.4Å |
| 144 | P | 81.6 | Confident | 81.7 | Confident | 25 Ų | 25 | 59.3 Ų | 59.3 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | trans | -51.5 | 130.7 | 171.4 | -26.2 | 33 | 0 | 0 | 0 | 111.2 | E67 V84 V85 R146 L147 | E67-P144 WeakPolarHBondContact OE2-CB 3.34Å; E67-P144 WeakPolarHBondContact OE2-CG 3.32Å; V84-P144 HydrophobicContact CG1-CG 4.5Å; V85-P144 HydrophobicContact CG2-CG 4.09Å; P144-R146 HydrophobicContact CB-CG 4.18Å; P144-R146 PolarHBondContact O-N 3.27Å; P144-L147 HydrophobicContact CB-CD1 4.4Å; P144-L147 HydrophobicContact CB-CG 4.24Å; P144-L147 HydrophobicContact CG-CD1 4.2Å; P144-L147 WeakPolarHBondContact O-CB 3.48Å; P144-L147 PolarHBondContact O-N 3Å | ||
| 145 | Q | 81.4 | Confident | 82.2 | Confident | 155 Ų | 155 | 56 Ų | 56 | 72% | 0.724 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -55.1 | -32.3 | -171.1 | -163.1 | 172.1 | 14.5 | 0 | 0 | 113.3 | I143 L147 G148 | I143-Q145 PolarHBondContact O-N 3.35Å; Q145-L147 PolarHBondContact O-N 3.25Å; Q145-G148 PolarHBondContact O-N 3.04Å; Q145-G148 VanDerWaalsContact O-N 3.09Å |
| 146 | R | 78.1 | Confident | 82.5 | Confident | 134 Ų | 134 | 53.6 Ų | 53.6 | 51% | 0.506 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -62.1 | -17.4 | 175.3 | 68.5 | -168.3 | -168.5 | 160.9 | 15.5 | 115.2 | E67 P144 | E67-R146 IonicContact OE1-CZ 3.43Å; E67-R146 IonicContact OE1-NE 2.7Å; E67-R146 IonicContact OE1-NH1 3.62Å; E67-R146 IonicContact OE1-NH2 2.82Å; E67-R146 PolarHBondContact OE1-NH2 3.46Å; E67-R146 IonicContact OE2-CZ 2.82Å; E67-R146 IonicContact OE2-NE 3.68Å; E67-R146 PolarHBondContact OE2-NE 3.01Å; E67-R146 IonicContact OE2-NH2 3.68Å; E67-R146 PolarHBondContact OE2-NH2 3.4Å; P144-R146 HydrophobicContact CB-CG 4.18Å; P144-R146 PolarHBondContact O-N 3.27Å |
| 147 | L | 82.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -89.3 | -3.4 | 176.8 | -54.1 | -175.7 | 0 | 0 | 0 | 113 | L65 F68 V85 F133 I143 P144 Q145 N149 | L65-L147 HydrophobicContact CB-CD2 4.08Å; L65-L147 HydrophobicContact CD1-CD2 3.51Å; L65-L147 HydrophobicContact CG-CD2 4.39Å; F68-L147 HydrophobicContact CB-CD1 3.61Å; F68-L147 HydrophobicContact CB-CD2 3.92Å; F68-L147 HydrophobicContact CB-CG 4.43Å; F68-L147 HydrophobicContact CD1-CD1 4.41Å; F68-L147 HydrophobicContact CG-CD1 4.14Å; V85-L147 HydrophobicContact CG2-CD1 3.8Å; F133-L147 HydrophobicContact CD1-CB 4.28Å; F133-L147 HydrophobicContact CE1-CB 4.05Å; F133-L147 HydrophobicContact CE1-CD1 4.23Å; I143-L147 HydrophobicContact CG2-CB 3.73Å; I143-L147 HydrophobicContact CG2-CD1 4.12Å; I143-L147 HydrophobicContact CG2-CG 4.4Å; P144-L147 HydrophobicContact CB-CD1 4.4Å; P144-L147 HydrophobicContact CB-CG 4.24Å; P144-L147 HydrophobicContact CG-CD1 4.2Å; P144-L147 WeakPolarHBondContact O-CB 3.48Å; P144-L147 PolarHBondContact O-N 3Å; Q145-L147 PolarHBondContact O-N 3.25Å; L147-N149 PolarHBondContact O-N 2.88Å |
| 148 | G | 78.3 | Confident | 83 | Confident | 30 Ų | 30 | 47.9 Ų | 47.9 | 31% | 0.309 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -66.3 | -15.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q145 | Q145-G148 PolarHBondContact O-N 3.04Å; Q145-G148 VanDerWaalsContact O-N 3.09Å |
| 149 | N | 80.4 | Confident | 83.2 | Confident | 90 Ų | 90 | 47.2 Ų | 47.2 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -124.4 | 94.2 | 168.9 | -169.1 | 0.4 | 0 | 0 | 0 | 109.2 | L147 G151 | L147-N149 PolarHBondContact O-N 2.88Å; N149-G151 PolarHBondContact O-N 3.22Å |
| 150 | L | 83.5 | Confident | 83.5 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | trans | -69.9 | 114.8 | 169.6 | -59.7 | 179.3 | 0 | 0 | 0 | 106.5 | P39 L65 F68 L70 F133 F153 | P39-L150 HydrophobicContact CB-CD1 3.93Å; P39-L150 HydrophobicContact CG-CD1 3.84Å; L65-L150 HydrophobicContact CD1-CD2 3.99Å; F68-L150 HydrophobicContact CD1-CD2 3.9Å; F68-L150 HydrophobicContact CE1-CD1 4.29Å; F68-L150 HydrophobicContact CE1-CD2 3.98Å; L70-L150 HydrophobicContact CD1-CD1 4.28Å; F133-L150 HydrophobicContact CD1-CD1 4.33Å; F133-L150 HydrophobicContact CD1-CD2 4.37Å; F133-L150 HydrophobicContact CD1-CG 4.48Å; F133-L150 HydrophobicContact CE1-CD2 4.42Å; L150-F153 HydrophobicContact CB-CE2 3.8Å; L150-F153 HydrophobicContact CB-CZ 4.19Å | ||
| 151 | G | 79.4 | Confident | 83.4 | Confident | 20 Ų | 20 | 49.6 Ų | 49.6 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | trans | -61.9 | -163.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N149 F153 | N149-G151 PolarHBondContact O-N 3.22Å; G151-F153 WeakPolarHBondContact O-CD2 3.26Å; G151-F153 WeakPolarHBondContact O-CE2 3.5Å; G151-F153 PolarHBondContact O-N 2.95Å | ||
| 152 | P | 89.9 | Confident | 83 | Confident | 45 Ų | 45 | 48.2 Ų | 48.2 | 29% | 0.292 | 26% | 0.261 | S | S | . | . | trans | -67 | 141.4 | -174.6 | 26.6 | -33.1 | 0 | 0 | 0 | 111.6 | I33 I34 I62 | I33-P152 HydrophobicContact CG2-CB 4.01Å; I34-P152 CarbonylContact O-C 3.54Å; I34-P152 WeakPolarHBondContact O-CA 3.4Å; I62-P152 HydrophobicContact CB-CB 4.46Å; I62-P152 HydrophobicContact CB-CG 4.14Å; I62-P152 WeakPolarHBondContact CB-O 3.2Å; I62-P152 HydrophobicContact CD1-CB 4.02Å; I62-P152 HydrophobicContact CG2-CG 4.31Å; I62-P152 PolarHBondContact N-O 3.33Å | ||
| 153 | F | 91.6 | Very high | 82.3 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 2% | 0.022 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135 | 176.5 | -72.6 | -99.4 | 0 | 0 | 0 | 110.6 | I33 I34 L37 V59 L60 P61 L70 L150 G151 | I33-F153 CarbonylContact C-O 3.55Å; I33-F153 VanDerWaalsContact CA-O 3.29Å; I33-F153 WeakPolarHBondContact CA-O 3.17Å; I34-F153 HydrophobicContact CD1-CB 4.06Å; I34-F153 HydrophobicContact CG1-CB 3.73Å; I34-F153 PolarHBondContact N-O 3.49Å; I34-F153 PolarHBondContact O-N 3.37Å; L37-F153 HydrophobicContact CB-CD2 3.63Å; L37-F153 HydrophobicContact CB-CE2 3.73Å; L37-F153 HydrophobicContact CD2-CD1 4.33Å; L37-F153 HydrophobicContact CD2-CD2 3.92Å; L37-F153 HydrophobicContact CD2-CE1 4.16Å; L37-F153 HydrophobicContact CD2-CE2 3.75Å; L37-F153 HydrophobicContact CD2-CG 4.24Å; L37-F153 HydrophobicContact CD2-CZ 3.88Å; L37-F153 HydrophobicContact CG-CD2 4.43Å; L37-F153 HydrophobicContact CG-CE2 4.41Å; V59-F153 HydrophobicContact CG1-CB 4.03Å; V59-F153 HydrophobicContact CG1-CD1 3.66Å; V59-F153 HydrophobicContact CG1-CE1 4.49Å; V59-F153 HydrophobicContact CG1-CG 4.07Å; L60-F153 VanDerWaalsContact C-CD1 3.44Å; L60-F153 CarbonylContact O-C 3.57Å; L60-F153 VanDerWaalsContact O-CA 3.26Å; L60-F153 WeakPolarHBondContact O-CA 3.32Å; P61-F153 HydrophobicContact CB-CD1 4.06Å; P61-F153 HydrophobicContact CB-CE1 3.65Å; P61-F153 HydrophobicContact CB-CZ 4.12Å; P61-F153 HydrophobicContact CG-CE1 4.24Å; L70-F153 HydrophobicContact CD2-CE1 3.79Å; L70-F153 HydrophobicContact CD2-CZ 4.18Å; L70-F153 WeakPolarHBondContact O-CE1 3.36Å; L150-F153 HydrophobicContact CB-CE2 3.8Å; L150-F153 HydrophobicContact CB-CZ 4.19Å; G151-F153 WeakPolarHBondContact O-CD2 3.26Å; G151-F153 WeakPolarHBondContact O-CE2 3.5Å; G151-F153 PolarHBondContact O-N 2.95Å |
| 154 | F | 91.9 | Very high | 81.4 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.009 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 136.3 | 158.4 | 167.8 | -92.6 | 0 | 0 | 0 | 109.2 | L4 T58 V59 L60 I62 D156 L304 L306 | L4-F154 HydrophobicContact CD1-CB 3.67Å; L4-F154 HydrophobicContact CD1-CD1 4.36Å; L4-F154 HydrophobicContact CD1-CG 4.04Å; L4-F154 HydrophobicContact CD2-CB 4.03Å; L4-F154 HydrophobicContact CD2-CD1 3.8Å; L4-F154 HydrophobicContact CD2-CD2 3.55Å; L4-F154 HydrophobicContact CD2-CE1 4.08Å; L4-F154 HydrophobicContact CD2-CE2 3.83Å; L4-F154 HydrophobicContact CD2-CG 3.5Å; L4-F154 HydrophobicContact CD2-CZ 4.08Å; L4-F154 HydrophobicContact CG-CB 4.49Å; L4-F154 HydrophobicContact CG-CG 4.36Å; T58-F154 HydrophobicContact CG2-CD1 4.35Å; T58-F154 HydrophobicContact CG2-CE1 4.03Å; V59-F154 CarbonylContact C-O 3.42Å; V59-F154 VanDerWaalsContact CA-O 3.32Å; V59-F154 WeakPolarHBondContact CA-O 3.39Å; L60-F154 HydrophobicContact CB-CB 4.45Å; L60-F154 HydrophobicContact CB-CD1 4.34Å; L60-F154 HydrophobicContact CD1-CD1 4.36Å; L60-F154 HydrophobicContact CG-CD1 4.48Å; L60-F154 PolarHBondContact N-O 3.41Å; L60-F154 PolarHBondContact O-N 2.83Å; I62-F154 HydrophobicContact CG1-CB 4.43Å; F154-D156 HydrophobicContact CE1-CB 3.53Å; F154-D156 HydrophobicContact CZ-CB 3.54Å; F154-L304 HydrophobicContact CD2-CB 4.18Å; F154-L304 HydrophobicContact CD2-CD1 4.06Å; F154-L304 HydrophobicContact CE2-CB 4.23Å; F154-L306 HydrophobicContact CE1-CD2 3.78Å; F154-L306 HydrophobicContact CE1-CG 4.19Å; F154-L306 HydrophobicContact CZ-CD2 4.16Å; F154-L306 HydrophobicContact CZ-CG 4.13Å |
| 155 | V | 92.1 | Very high | 79.9 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 132.9 | -179.9 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | S32 I34 T58 V59 I175 A176 L179 | S32-V155 PolarHBondContact O-N 3Å; I34-V155 HydrophobicContact CB-CG2 4.47Å; I34-V155 HydrophobicContact CD1-CG2 3.86Å; I34-V155 HydrophobicContact CG1-CG2 3.81Å; I34-V155 HydrophobicContact CG2-CG2 4Å; T58-V155 WeakPolarHBondContact O-CA 3.35Å; V59-V155 HydrophobicContact CG2-CG1 4.46Å; V155-I175 HydrophobicContact CG1-CB 4.21Å; V155-I175 HydrophobicContact CG1-CD1 4.37Å; V155-I175 HydrophobicContact CG1-CG1 3.86Å; V155-I175 HydrophobicContact CG1-CG2 3.51Å; V155-A176 HydrophobicContact CB-CB 4.25Å; V155-A176 HydrophobicContact CG1-CB 4.29Å; V155-L179 HydrophobicContact CG1-CD1 3.98Å; V155-L179 HydrophobicContact CG2-CD1 4.1Å |
| 156 | D | 90.2 | Very high | 78.7 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 151.9 | 175.5 | -177.7 | 32.5 | 0 | 0 | 0 | 111.3 | K29 T58 F154 L306 | K29-D156 VanDerWaalsContact CE-CG 3.49Å; K29-D156 WeakPolarHBondContact CE-OD1 3.47Å; K29-D156 VanDerWaalsContact CE-OD2 3.26Å; K29-D156 WeakPolarHBondContact CE-OD2 3.35Å; K29-D156 IonicContact NZ-OD1 3.34Å; K29-D156 PolarHBondContact NZ-OD1 3.23Å; K29-D156 IonicContact NZ-OD2 3.54Å; K29-D156 PolarHBondContact NZ-OD2 2.71Å; T58-D156 PolarHBondContact N-O 2.84Å; T58-D156 PolarHBondContact O-N 3.29Å; F154-D156 HydrophobicContact CE1-CB 3.53Å; F154-D156 HydrophobicContact CZ-CB 3.54Å; D156-L306 WeakPolarHBondContact OD2-CD1 3.38Å |
| 157 | W | 89.6 | Confident | 77 | Confident | 17 Ų | 17 | 52.9 Ų | 52.9 | 6% | 0.064 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 124.7 | 176.7 | -178.9 | 47.3 | 0 | 0 | 0 | 110.4 | F51 R54 A56 V57 P159 P170 I175 | F51-W157 AromaticContact CD1-CD2 3.77Å; F51-W157 HydrophobicContact CD1-CD2 3.77Å; F51-W157 AromaticContact CD1-CE2 3.88Å; F51-W157 AromaticContact CD1-CE3 3.77Å; F51-W157 HydrophobicContact CD1-CE3 3.77Å; F51-W157 HydrophobicContact CD1-CG 4.38Å; F51-W157 HydrophobicContact CD1-CH2 4.02Å; F51-W157 HydrophobicContact CD1-CZ2 4.03Å; F51-W157 AromaticContact CD1-CZ3 3.88Å; F51-W157 HydrophobicContact CD1-CZ3 3.88Å; F51-W157 HydrophobicContact CE1-CE3 4.11Å; F51-W157 HydrophobicContact CE1-CH2 4.44Å; F51-W157 HydrophobicContact CE1-CZ3 4.03Å; F51-W157 PolarHBondContact O-NE1 3.44Å; R54-W157 HydrophobicContact CB-CZ2 4.23Å; A56-W157 WeakPolarHBondContact O-CA 3.36Å; V57-W157 HydrophobicContact CG2-CG 4.4Å; W157-P159 HydrophobicContact CH2-CB 4.3Å; W157-P159 HydrophobicContact CZ2-CB 4.07Å; W157-P170 HydrophobicContact CE3-CB 4.17Å; W157-P170 HydrophobicContact CH2-CB 3.75Å; W157-P170 HydrophobicContact CZ3-CB 3.35Å; W157-I175 HydrophobicContact CB-CB 4.32Å; W157-I175 HydrophobicContact CB-CD1 4.39Å; W157-I175 HydrophobicContact CB-CG2 3.61Å |
| 158 | L | 86.9 | Confident | 75.3 | Confident | 108 Ų | 108 | 62.2 Ų | 62.2 | 57% | 0.565 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 102.1 | 171.3 | -176.3 | 67.3 | 0 | 0 | 0 | 108.2 | G55 A56 | G55-L158 CarbonylContact C-O 3.6Å; G55-L158 WeakPolarHBondContact CA-O 3.29Å; A56-L158 HydrophobicContact CB-CB 4.38Å; A56-L158 PolarHBondContact N-O 2.64Å; A56-L158 PolarHBondContact O-N 3.05Å |
| 159 | P | 85.7 | Confident | 73.7 | Confident | 17 Ų | 17 | 64.5 Ų | 64.5 | 11% | 0.11 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 145.6 | 179.3 | 26.3 | -34.2 | 0 | 0 | 0 | 111.3 | W157 V163 I164 P170 | W157-P159 HydrophobicContact CH2-CB 4.3Å; W157-P159 HydrophobicContact CZ2-CB 4.07Å; P159-V163 HydrophobicContact CB-CB 4.27Å; P159-V163 HydrophobicContact CB-CG1 4.32Å; P159-I164 HydrophobicContact CB-CG1 4.23Å; P159-I164 HydrophobicContact CG-CD1 4.29Å; P159-I164 HydrophobicContact CG-CG1 3.89Å; P159-P170 HydrophobicContact CB-CB 4.19Å; P159-P170 HydrophobicContact CB-CG 3.9Å; P159-P170 HydrophobicContact CG-CB 4.06Å; P159-P170 HydrophobicContact CG-CG 3.86Å |
| 160 | D | 84.5 | Confident | 72.5 | Confident | 51 Ų | 51 | 61.6 Ų | 61.6 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | trans | -65.2 | 150 | 172.1 | -69.6 | -27.6 | 0 | 0 | 0 | 109.5 | R54 G55 K112 S162 V163 | R54-D160 PolarHBondContact O-N 2.83Å; G55-D160 PolarHBondContact N-OD2 2.92Å; K112-D160 VanDerWaalsContact NZ-CG 3.27Å; K112-D160 IonicContact NZ-OD1 2.77Å; K112-D160 PolarHBondContact NZ-OD1 3.17Å; K112-D160 IonicContact NZ-OD2 2.81Å; K112-D160 PolarHBondContact NZ-OD2 2.74Å; D160-S162 PolarHBondContact O-N 3.38Å; D160-V163 WeakPolarHBondContact O-CB 3.29Å; D160-V163 PolarHBondContact O-N 2.78Å | ||
| 161 | S | 73.4 | Confident | 71.7 | Confident | 96 Ų | 96 | 67 Ų | 67 | 67% | 0.671 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -54.2 | -32.6 | -174.1 | 53.3 | 0 | 0 | 0 | 0 | 114.5 | V163 I164 | S161-V163 VanDerWaalsContact C-N 3.26Å; S161-V163 PolarHBondContact O-N 3.13Å; S161-I164 PolarHBondContact O-N 2.86Å |
| 162 | S | 68 | Low | 71.1 | Confident | 75 Ų | 75 | 66.8 Ų | 66.8 | 52% | 0.524 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.7 | -22.4 | 177.1 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | D160 I166 | D160-S162 PolarHBondContact O-N 3.38Å; S162-I166 WeakPolarHBondContact O-CD1 3.46Å |
| 163 | V | 61.3 | Low | 70.5 | Confident | 25 Ų | 25 | 67.2 Ų | 67.2 | 15% | 0.152 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -86.2 | -30.4 | 179.8 | -178.2 | 0 | 0 | 0 | 0 | 111 | R54 P159 D160 S161 Q165 I166 P170 | R54-V163 HydrophobicContact CB-CG2 3.97Å; R54-V163 HydrophobicContact CG-CG2 4.33Å; P159-V163 HydrophobicContact CB-CB 4.27Å; P159-V163 HydrophobicContact CB-CG1 4.32Å; D160-V163 WeakPolarHBondContact O-CB 3.29Å; D160-V163 PolarHBondContact O-N 2.78Å; S161-V163 VanDerWaalsContact C-N 3.26Å; S161-V163 PolarHBondContact O-N 3.13Å; V163-Q165 PolarHBondContact O-N 2.91Å; V163-I166 PolarHBondContact O-N 2.95Å; V163-P170 HydrophobicContact CG1-CG 4.03Å |
| 164 | I | 58.9 | Low | 70.2 | Confident | 92 Ų | 92 | 69.4 Ų | 69.4 | 47% | 0.472 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.5 | -26.2 | -179.8 | -58.4 | 175.9 | 0 | 0 | 0 | 111.5 | P159 S161 | P159-I164 HydrophobicContact CB-CG1 4.23Å; P159-I164 HydrophobicContact CG-CD1 4.29Å; P159-I164 HydrophobicContact CG-CG1 3.89Å; S161-I164 PolarHBondContact O-N 2.86Å |
| 165 | Q | 51.6 | Low | 70.1 | Confident | 173 Ų | 173 | 69.3 Ų | 69.3 | 81% | 0.808 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -14.1 | -177.3 | -66.5 | -177 | -9.6 | 0 | 0 | 114.6 | V163 | V163-Q165 PolarHBondContact O-N 2.91Š|
| 166 | I | 54.5 | Low | 70.1 | Confident | 134 Ų | 134 | 69.3 Ų | 69.3 | 69% | 0.687 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -22.5 | -163.6 | -58.3 | 175.9 | 0 | 0 | 0 | 113.2 | S162 V163 | S162-I166 WeakPolarHBondContact O-CD1 3.46Å; V163-I166 PolarHBondContact O-N 2.95Å |
| 167 | N | 43.8 | Very low | 70.1 | Confident | 116 Ų | 116 | 70.1 Ų | 70.1 | 62% | 0.62 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -135.2 | 154.3 | -179 | -76.1 | -26.3 | 0 | 0 | 0 | 110.8 | S169 | N167-S169 PolarHBondContact O-N 2.88Š|
| 168 | E | 45.2 | Very low | 70.3 | Confident | 196 Ų | 196 | 70.9 Ų | 70.9 | 92% | 0.916 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -44.3 | 109.8 | 160.2 | -72.6 | -179.4 | 161.7 | 0 | 0 | 108.1 | ||
| 169 | S | 45.7 | Very low | 70.5 | Confident | 78 Ų | 78 | 65.8 Ų | 65.8 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | trans | 0.4 | 114 | -176.1 | 53 | 0 | 0 | 0 | 0 | 115.5 | N167 K171 | N167-S169 PolarHBondContact O-N 2.88Å; S169-K171 PolarHBondContact O-N 2.83Å | ||
| 170 | P | 55.8 | Low | 70.8 | Confident | 28 Ų | 28 | 65.9 Ų | 65.9 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | trans | -59.6 | 107 | 173.5 | -10.2 | 21.8 | 0 | 0 | 0 | 109 | W157 P159 V163 | W157-P170 HydrophobicContact CE3-CB 4.17Å; W157-P170 HydrophobicContact CH2-CB 3.75Å; W157-P170 HydrophobicContact CZ3-CB 3.35Å; P159-P170 HydrophobicContact CB-CB 4.19Å; P159-P170 HydrophobicContact CB-CG 3.9Å; P159-P170 HydrophobicContact CG-CB 4.06Å; P159-P170 HydrophobicContact CG-CG 3.86Å; V163-P170 HydrophobicContact CG1-CG 4.03Å | ||
| 171 | K | 66.7 | Low | 71 | Confident | 123 Ų | 123 | 68.6 Ų | 68.6 | 54% | 0.535 | 37% | 0.372 | S | S | . | . | trans | -75.2 | 135 | -179.2 | -63.2 | -175.3 | -179.4 | -179.5 | 0 | 108.7 | S169 E173 S174 | S169-K171 PolarHBondContact O-N 2.83Å; K171-E173 HydrophobicContact CB-CB 4.3Å; K171-E173 PolarHBondContact O-N 2.63Å; K171-E173 VanDerWaalsContact O-N 3.11Å; K171-S174 VanDerWaalsContact O-CB 3.25Å; K171-S174 WeakPolarHBondContact O-CB 3.43Å; K171-S174 PolarHBondContact O-N 2.96Å; K171-S174 PolarHBondContact O-OG 3.22Å | ||
| 172 | S | 66.3 | Low | 71.6 | Confident | 14 Ų | 14 | 69.7 Ų | 69.7 | 10% | 0.098 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -32 | 172 | 49.8 | 0 | 0 | 0 | 0 | 111.5 | N30 S174 I175 | N30-S172 PolarHBondContact O-OG 3.41Å; S172-S174 PolarHBondContact O-N 3.48Å; S172-S174 VanDerWaalsContact O-N 3.16Å; S172-I175 WeakPolarHBondContact O-CG2 3.48Å; S172-I175 PolarHBondContact O-N 3.03Å |
| 173 | E | 77.1 | Confident | 72.6 | Confident | 54 Ų | 54 | 72.8 Ų | 72.8 | 25% | 0.252 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -55.6 | -29.5 | 173.9 | -64.6 | 167.8 | -174.5 | 0 | 0 | 113.3 | K171 I175 A176 S177 V186 | K171-E173 HydrophobicContact CB-CB 4.3Å; K171-E173 PolarHBondContact O-N 2.63Å; K171-E173 VanDerWaalsContact O-N 3.11Å; E173-I175 VanDerWaalsContact C-N 3.31Å; E173-I175 PolarHBondContact O-N 3.09Å; E173-A176 PolarHBondContact O-N 2.93Å; E173-A176 VanDerWaalsContact O-N 3.14Å; E173-S177 WeakPolarHBondContact O-CB 3.33Å; E173-S177 PolarHBondContact O-N 2.87Å; E173-S177 PolarHBondContact O-OG 2.47Å; E173-V186 HydrophobicContact CG-CG2 4.24Å |
| 174 | S | 84.8 | Confident | 74 | Confident | 51 Ų | 51 | 73.5 Ų | 73.5 | 36% | 0.357 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.4 | -37.3 | -177.2 | -42.9 | 0 | 0 | 0 | 0 | 112.7 | K171 S172 Y178 | K171-S174 VanDerWaalsContact O-CB 3.25Å; K171-S174 WeakPolarHBondContact O-CB 3.43Å; K171-S174 PolarHBondContact O-N 2.96Å; K171-S174 PolarHBondContact O-OG 3.22Å; S172-S174 PolarHBondContact O-N 3.48Å; S172-S174 VanDerWaalsContact O-N 3.16Å; S174-Y178 WeakPolarHBondContact O-CB 3.45Å; S174-Y178 PolarHBondContact O-N 2.86Å; S174-Y178 VanDerWaalsContact O-N 3.08Å |
| 175 | I | 91 | Very high | 75.5 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -73.9 | -37.4 | 177.5 | -178.9 | 162.5 | 0 | 0 | 0 | 111.1 | F47 F51 V57 V155 W157 S172 E173 Y178 L179 | F47-I175 HydrophobicContact CE2-CD1 3.75Å; F47-I175 HydrophobicContact CE2-CG1 4.18Å; F47-I175 HydrophobicContact CZ-CD1 4.43Å; F51-I175 HydrophobicContact CB-CD1 4.03Å; F51-I175 HydrophobicContact CD1-CB 3.92Å; F51-I175 HydrophobicContact CD1-CD1 4.31Å; F51-I175 HydrophobicContact CD1-CG1 4.36Å; F51-I175 HydrophobicContact CE1-CB 3.87Å; F51-I175 HydrophobicContact CG-CB 4.38Å; F51-I175 HydrophobicContact CG-CD1 4.06Å; F51-I175 HydrophobicContact CG-CG1 4.32Å; F51-I175 HydrophobicContact CZ-CB 4.29Å; V57-I175 HydrophobicContact CB-CD1 4.19Å; V57-I175 HydrophobicContact CG1-CD1 3.45Å; V57-I175 VanDerWaalsContact CG1-CD1 3.45Å; V57-I175 HydrophobicContact CG2-CD1 3.69Å; V155-I175 HydrophobicContact CG1-CB 4.21Å; V155-I175 HydrophobicContact CG1-CD1 4.37Å; V155-I175 HydrophobicContact CG1-CG1 3.86Å; V155-I175 HydrophobicContact CG1-CG2 3.51Å; W157-I175 HydrophobicContact CB-CB 4.32Å; W157-I175 HydrophobicContact CB-CD1 4.39Å; W157-I175 HydrophobicContact CB-CG2 3.61Å; S172-I175 WeakPolarHBondContact O-CG2 3.48Å; S172-I175 PolarHBondContact O-N 3.03Å; E173-I175 VanDerWaalsContact C-N 3.31Å; E173-I175 PolarHBondContact O-N 3.09Å; I175-Y178 PolarHBondContact O-N 3.26Å; I175-L179 HydrophobicContact CG1-CD1 3.97Å; I175-L179 HydrophobicContact CG1-CG 4.25Å; I175-L179 WeakPolarHBondContact O-CB 3.43Å; I175-L179 VanDerWaalsContact O-CG 3.29Å; I175-L179 WeakPolarHBondContact O-CG 3.15Å; I175-L179 PolarHBondContact O-N 2.8Å |
| 176 | A | 91.4 | Very high | 77.3 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | S32 I34 V155 E173 Y178 L179 N180 H184 | S32-A176 VanDerWaalsContact CB-CB 3.48Å; I34-A176 HydrophobicContact CG2-CB 4.03Å; V155-A176 HydrophobicContact CB-CB 4.25Å; V155-A176 HydrophobicContact CG1-CB 4.29Å; E173-A176 PolarHBondContact O-N 2.93Å; E173-A176 VanDerWaalsContact O-N 3.14Å; A176-Y178 VanDerWaalsContact C-N 3.32Å; A176-Y178 PolarHBondContact O-N 2.82Å; A176-L179 PolarHBondContact O-N 2.88Å; A176-N180 PolarHBondContact O-N 2.82Å; A176-H184 HydrophobicContact CB-CB 4Å |
| 177 | S | 90.6 | Very high | 78.8 | Confident | 25 Ų | 25 | 65.1 Ų | 65.1 | 18% | 0.175 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57 | -43.3 | 172.6 | -75.5 | 0 | 0 | 0 | 0 | 112.7 | E173 D181 N182 H184 | E173-S177 WeakPolarHBondContact O-CB 3.33Å; E173-S177 PolarHBondContact O-N 2.87Å; E173-S177 PolarHBondContact O-OG 2.47Å; S177-D181 CarbonylContact O-C 3.54Å; S177-D181 VanDerWaalsContact O-CA 3.25Å; S177-D181 WeakPolarHBondContact O-CA 3.48Å; S177-D181 PolarHBondContact O-N 3.15Å; S177-N182 WeakPolarHBondContact CB-OD1 3.15Å; S177-N182 PolarHBondContact O-N 3.46Å; S177-N182 PolarHBondContact OG-OD1 2.85Å; S177-N182 VanDerWaalsContact OG-OD1 3.07Å; S177-H184 PolarHBondContact OG-CE1 3.39Å |
| 178 | Y | 92.1 | Very high | 80.8 | Confident | 32 Ų | 32 | 68.2 Ų | 68.2 | 13% | 0.125 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.1 | -46.9 | 176.3 | 170.7 | -96.3 | 0 | 0 | 0 | 112.1 | K41 E44 Q46 F47 F51 S174 I175 A176 N180 | K41-Y178 PolarHBondContact NZ-O 2.72Å; E44-Y178 WeakPolarHBondContact CB-OH 3.31Å; E44-Y178 PolarHBondContact OE2-OH 3.29Å; Q46-Y178 HydrophobicContact CB-CE2 3.96Å; Q46-Y178 HydrophobicContact CG-CD2 4.43Å; Q46-Y178 HydrophobicContact CG-CE2 3.85Å; F47-Y178 HydrophobicContact CB-CE1 3.72Å; F47-Y178 HydrophobicContact CD2-CD1 4.15Å; F47-Y178 AromaticContact CD2-CE1 3.83Å; F47-Y178 HydrophobicContact CD2-CE1 3.83Å; F47-Y178 HydrophobicContact CG-CE1 4.25Å; F47-Y178 PolarHBondContact N-OH 3.4Å; F51-Y178 AromaticContact CE2-CD1 3.85Å; F51-Y178 HydrophobicContact CE2-CD1 3.85Å; F51-Y178 HydrophobicContact CE2-CD2 4.42Å; F51-Y178 HydrophobicContact CE2-CE1 4.45Å; F51-Y178 AromaticContact CE2-CG 3.82Å; F51-Y178 HydrophobicContact CE2-CG 3.82Å; F51-Y178 HydrophobicContact CZ-CG 4.35Å; S174-Y178 WeakPolarHBondContact O-CB 3.45Å; S174-Y178 PolarHBondContact O-N 2.86Å; S174-Y178 VanDerWaalsContact O-N 3.08Å; I175-Y178 PolarHBondContact O-N 3.26Å; A176-Y178 VanDerWaalsContact C-N 3.32Å; A176-Y178 PolarHBondContact O-N 2.82Å; Y178-N180 VanDerWaalsContact C-N 3.32Å; Y178-N180 PolarHBondContact O-N 2.82Å |
| 179 | L | 92.9 | Very high | 82.9 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.2 | -29.7 | -175.6 | -72.8 | 177.3 | 0 | 0 | 0 | 113.4 | I34 L37 K41 L42 F47 V59 V155 I175 A176 | I34-L179 HydrophobicContact CD1-CB 3.98Å; I34-L179 HydrophobicContact CD1-CD1 4.3Å; L37-L179 HydrophobicContact CD1-CB 4.5Å; L37-L179 HydrophobicContact CD1-CD2 4.2Å; K41-L179 HydrophobicContact CB-CD2 4.21Å; K41-L179 VanDerWaalsContact CD-O 3.26Å; K41-L179 WeakPolarHBondContact CD-O 3.35Å; K41-L179 PolarHBondContact NZ-O 2.89Å; L42-L179 HydrophobicContact CD2-CD2 3.79Å; F47-L179 HydrophobicContact CD2-CD2 3.82Å; F47-L179 HydrophobicContact CE2-CD1 4.16Å; F47-L179 HydrophobicContact CE2-CD2 3.73Å; F47-L179 HydrophobicContact CE2-CG 4.23Å; V59-L179 HydrophobicContact CG2-CD1 4.07Å; V155-L179 HydrophobicContact CG1-CD1 3.98Å; V155-L179 HydrophobicContact CG2-CD1 4.1Å; I175-L179 HydrophobicContact CG1-CD1 3.97Å; I175-L179 HydrophobicContact CG1-CG 4.25Å; I175-L179 WeakPolarHBondContact O-CB 3.43Å; I175-L179 VanDerWaalsContact O-CG 3.29Å; I175-L179 WeakPolarHBondContact O-CG 3.15Å; I175-L179 PolarHBondContact O-N 2.8Å; A176-L179 PolarHBondContact O-N 2.88Å |
| 180 | N | 91.3 | Very high | 84.8 | Confident | 19 Ų | 19 | 61.1 Ų | 61.1 | 10% | 0.102 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.2 | 31.3 | -177.5 | -158.5 | 14.9 | 0 | 0 | 0 | 114.2 | I34 I35 Q36 A176 Y178 N182 K183 | I34-N180 HydrophobicContact CB-CB 3.77Å; I34-N180 HydrophobicContact CG2-CB 3.63Å; I35-N180 VanDerWaalsContact CG1-ND2 3.3Å; I35-N180 WeakPolarHBondContact CG1-ND2 3.43Å; I35-N180 PolarHBondContact N-ND2 2.74Å; Q36-N180 PolarHBondContact O-ND2 2.61Å; Q36-N180 PolarHBondContact O-OD1 3.46Å; A176-N180 PolarHBondContact O-N 2.82Å; Y178-N180 VanDerWaalsContact C-N 3.32Å; Y178-N180 PolarHBondContact O-N 2.82Å; N180-N182 PolarHBondContact O-N 3.24Å; N180-K183 PolarHBondContact ND2-O 3.07Å; N180-K183 WeakPolarHBondContact O-CA 3.33Å; N180-K183 VanDerWaalsContact O-CB 3.23Å; N180-K183 WeakPolarHBondContact O-CB 3.2Å; N180-K183 PolarHBondContact O-N 3.26Å |
| 181 | D | 88.5 | Confident | 86.3 | Confident | 108 Ų | 108 | 61.6 Ų | 61.6 | 58% | 0.578 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 51.8 | 173.1 | -54.5 | -44.1 | 0 | 0 | 0 | 113.4 | K41 S177 K183 | K41-D181 IonicContact NZ-OD1 3.51Å; K41-D181 PolarHBondContact NZ-OD1 2.86Å; K41-D181 IonicContact NZ-OD2 2.71Å; K41-D181 PolarHBondContact NZ-OD2 3.01Å; S177-D181 CarbonylContact O-C 3.54Å; S177-D181 VanDerWaalsContact O-CA 3.25Å; S177-D181 WeakPolarHBondContact O-CA 3.48Å; S177-D181 PolarHBondContact O-N 3.15Å; D181-K183 PolarHBondContact O-N 3.16Å; D181-K183 VanDerWaalsContact O-N 3.16Å |
| 182 | N | 85.4 | Confident | 87.1 | Confident | 120 Ų | 120 | 58.9 Ų | 58.9 | 64% | 0.642 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 3.1 | -174.4 | -56 | -59 | 0 | 0 | 0 | 115.8 | S177 N180 H184 | S177-N182 WeakPolarHBondContact CB-OD1 3.15Å; S177-N182 PolarHBondContact O-N 3.46Å; S177-N182 PolarHBondContact OG-OD1 2.85Å; S177-N182 VanDerWaalsContact OG-OD1 3.07Å; N180-N182 PolarHBondContact O-N 3.24Å; N182-H184 PolarHBondContact O-N 3.45Å; N182-H184 VanDerWaalsContact O-N 3.16Å; N182-H184 PolarHBondContact O-ND1 3.16Å |
| 183 | K | 89.4 | Confident | 88 | Confident | 140 Ų | 140 | 60.7 Ų | 60.7 | 61% | 0.609 | 31% | 0.305 | S | S | * | . | trans | -87.6 | 79.4 | 175.8 | -58.2 | 176.5 | -177.3 | 173.5 | 0 | 110.9 | N180 D181 | N180-K183 PolarHBondContact ND2-O 3.07Å; N180-K183 WeakPolarHBondContact O-CA 3.33Å; N180-K183 VanDerWaalsContact O-CB 3.23Å; N180-K183 WeakPolarHBondContact O-CB 3.2Å; N180-K183 PolarHBondContact O-N 3.26Å; D181-K183 PolarHBondContact O-N 3.16Å; D181-K183 VanDerWaalsContact O-N 3.16Å | ||
| 184 | H | 91 | Very high | 88.2 | Confident | 40 Ų | 40 | 59.4 Ų | 59.4 | 19% | 0.185 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 154.4 | 177.6 | 64.2 | -69 | 0 | 0 | 0 | 111.1 | I33 I34 A176 S177 N182 | I33-H184 CarbonylContact O-C 3.49Å; I33-H184 WeakPolarHBondContact O-CA 3.48Å; I33-H184 VanDerWaalsContact O-CB 3.29Å; I33-H184 WeakPolarHBondContact O-CB 3.49Å; I34-H184 HydrophobicContact CG2-CB 4.07Å; A176-H184 HydrophobicContact CB-CB 4Å; S177-H184 PolarHBondContact OG-CE1 3.39Å; N182-H184 PolarHBondContact O-N 3.45Å; N182-H184 VanDerWaalsContact O-N 3.16Å; N182-H184 PolarHBondContact O-ND1 3.16Å |
| 185 | L | 90.4 | Very high | 88.1 | Confident | 102 Ų | 102 | 61.6 Ų | 61.6 | 53% | 0.534 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 132.6 | 172.8 | -58.6 | 173.3 | 0 | 0 | 0 | 108.3 | S32 I33 I35 | S32-L185 CarbonylContact C-O 3.58Å; S32-L185 WeakPolarHBondContact CA-O 3.44Å; I33-L185 HydrophobicContact CB-CB 4.32Å; I33-L185 PolarHBondContact N-O 3.29Å; I33-L185 PolarHBondContact O-N 3.45Å; I35-L185 HydrophobicContact CG2-CD1 4.5Å |
| 186 | V | 88.9 | Confident | 87.5 | Confident | 65 Ų | 65 | 62.9 Ų | 62.9 | 39% | 0.394 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 119.1 | 173.6 | -178 | 0 | 0 | 0 | 0 | 107.8 | N30 S31 E173 | N30-V186 HydrophobicContact CB-CG1 3.58Å; S31-V186 CarbonylContact O-C 3.55Å; S31-V186 WeakPolarHBondContact O-CA 3.42Å; E173-V186 HydrophobicContact CG-CG2 4.24Å |
| 187 | I | 86.3 | Confident | 86.7 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 28% | 0.282 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115.5 | 175.1 | -59.7 | -169.2 | 0 | 0 | 0 | 108 | S31 I33 L304 | S31-I187 PolarHBondContact N-O 3.44Å; S31-I187 PolarHBondContact O-N 3.09Å; I33-I187 HydrophobicContact CD1-CD1 3.39Å; I33-I187 HydrophobicContact CD1-CG1 4.2Å; I33-I187 HydrophobicContact CG1-CD1 4.16Å; I187-L304 HydrophobicContact CD1-CD1 3.89Å; I187-L304 HydrophobicContact CD1-CG 4.22Å |
| 188 | R | 86.1 | Confident | 85.9 | Confident | 181 Ų | 181 | 68.9 Ų | 68.9 | 68% | 0.683 | 35% | 0.353 | S | S | * | . | trans | -85.4 | 131.4 | 172.8 | -172.9 | 176.1 | 177.9 | 167 | -0.1 | 109.2 | Q190 | R188-Q190 PolarHBondContact O-N 3.48Š| ||
| 189 | P | 88.1 | Confident | 85.1 | Confident | 13 Ų | 13 | 70.9 Ų | 70.9 | 8% | 0.084 | 37% | 0.372 | C | S | . | . | trans | -53.8 | 135.7 | 167.7 | -26.8 | 36.1 | 0 | 0 | 0 | 111.4 | V25 F28 S302 F305 | V25-P189 HydrophobicContact CG1-CB 3.81Å; F28-P189 HydrophobicContact CB-CG 3.94Å; P189-S302 WeakPolarHBondContact CA-O 3.37Å; P189-F305 HydrophobicContact CB-CE1 3.77Å; P189-F305 HydrophobicContact CB-CZ 4.02Å; P189-F305 HydrophobicContact CG-CE1 3.85Å; P189-F305 HydrophobicContact CG-CZ 4.47Å | ||
| 190 | Q | 85.8 | Confident | 84.5 | Confident | 113 Ų | 113 | 73.9 Ų | 73.9 | 53% | 0.528 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 141.9 | 175.5 | -61.9 | -179.5 | -27.3 | 0 | 0 | 109.6 | R188 L301 S302 | R188-Q190 PolarHBondContact O-N 3.48Å; Q190-L301 WeakPolarHBondContact O-CA 3.19Å; Q190-L301 VanDerWaalsContact O-CD1 3.27Å; Q190-L301 WeakPolarHBondContact O-CD1 3.41Å; Q190-S302 PolarHBondContact N-O 2.99Å; Q190-S302 PolarHBondContact O-N 3.26Å |
| 191 | C | 87.4 | Confident | 84 | Confident | 38 Ų | 38 | 73.2 Ų | 73.2 | 26% | 0.257 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 120 | 177.7 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | I22 V25 I299 Y300 | I22-C191 HydrophobicContact CG1-CB 4.35Å; I22-C191 VanDerWaalsContact CG1-SG 3.59Å; V25-C191 HydrophobicContact CB-CB 4.43Å; V25-C191 HydrophobicContact CG1-CB 4.1Å; C191-I299 WeakPolarHBondContact SG-CG2 3.17Å; C191-Y300 WeakPolarHBondContact CA-O 3.47Å |
| 192 | E | 85 | Confident | 83.7 | Confident | 66 Ų | 66 | 71.2 Ų | 71.2 | 31% | 0.308 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.8 | 175.4 | -58.5 | -176.5 | 156.5 | 0 | 0 | 108.7 | F194 I299 Y300 | E192-F194 HydrophobicContact CB-CE1 4.38Å; E192-F194 HydrophobicContact CB-CE2 3.52Å; E192-F194 HydrophobicContact CB-CZ 3.48Å; E192-F194 VanDerWaalsContact CB-CZ 3.48Å; E192-F194 HydrophobicContact CG-CZ 4.38Å; E192-F194 WeakPolarHBondContact OE2-CZ 3.33Å; E192-I299 CarbonylContact O-C 3.51Å; E192-I299 WeakPolarHBondContact O-CA 3.39Å; E192-Y300 PolarHBondContact N-O 3.17Å; E192-Y300 PolarHBondContact O-N 3.24Å |
| 193 | V | 84.6 | Confident | 83.8 | Confident | 52 Ų | 52 | 65.5 Ų | 65.5 | 32% | 0.315 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130.7 | -178.8 | -178 | 0 | 0 | 0 | 0 | 109.2 | A18 I22 I299 | A18-V193 HydrophobicContact CB-CG1 3.94Å; A18-V193 HydrophobicContact CB-CG2 4.31Å; I22-V193 HydrophobicContact CD1-CG2 3.79Å; I22-V193 HydrophobicContact CG1-CG2 4.15Å; V193-I299 HydrophobicContact CG1-CG1 4.33Å; V193-I299 HydrophobicContact CG2-CG1 4.21Å; V193-I299 HydrophobicContact CG2-CG2 4.07Å |
| 194 | F | 81.4 | Confident | 83.6 | Confident | 26 Ų | 26 | 58.9 Ų | 58.9 | 11% | 0.114 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 140.5 | -176.9 | -51.4 | -74.5 | 0 | 0 | 0 | 111.1 | E192 F254 P264 K297 I298 | E192-F194 HydrophobicContact CB-CE1 4.38Å; E192-F194 HydrophobicContact CB-CE2 3.52Å; E192-F194 HydrophobicContact CB-CZ 3.48Å; E192-F194 VanDerWaalsContact CB-CZ 3.48Å; E192-F194 HydrophobicContact CG-CZ 4.38Å; E192-F194 WeakPolarHBondContact OE2-CZ 3.33Å; F194-F254 HydrophobicContact CD2-CE1 4.28Å; F194-F254 HydrophobicContact CE2-CD1 4.48Å; F194-F254 AromaticContact CE2-CE1 3.64Å; F194-F254 HydrophobicContact CE2-CE1 3.64Å; F194-F254 HydrophobicContact CZ-CE1 4.1Å; F194-P264 HydrophobicContact CB-CG 3.37Å; F194-P264 HydrophobicContact CD1-CG 3.69Å; F194-P264 HydrophobicContact CD2-CG 3.8Å; F194-P264 HydrophobicContact CE1-CG 4.31Å; F194-P264 HydrophobicContact CE2-CG 4.46Å; F194-P264 HydrophobicContact CG-CG 3.33Å; F194-K297 CarbonylContact O-C 3.47Å; F194-K297 VanDerWaalsContact O-CA 3.28Å; F194-K297 WeakPolarHBondContact O-CA 3.33Å; F194-I298 WeakPolarHBondContact CD2-O 3.42Å; F194-I298 PolarHBondContact N-O 3.29Å; F194-I298 PolarHBondContact O-N 3.02Å |
| 195 | N | 83.2 | Confident | 83.4 | Confident | 97 Ų | 97 | 58.7 Ų | 58.7 | 52% | 0.519 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 124 | 169.8 | -58.3 | -49.8 | 0 | 0 | 0 | 107.9 | T197 | N195-T197 PolarHBondContact O-N 2.98Å |
| 196 | Y | 78.7 | Confident | 83.1 | Confident | 28 Ų | 28 | 53.9 Ų | 53.9 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | trans | -71.3 | 126.1 | 171.4 | 175.4 | -100.1 | 0 | 0 | 0 | 109.3 | G198 S199 I201 L248 L296 | Y196-G198 VanDerWaalsContact CE1-C 3.45Å; Y196-G198 WeakPolarHBondContact CE1-O 3.29Å; Y196-G198 VanDerWaalsContact CZ-CA 3.44Å; Y196-G198 WeakPolarHBondContact OH-CA 3.3Å; Y196-S199 WeakPolarHBondContact CE1-O 3.2Å; Y196-S199 PolarHBondContact OH-N 3.43Å; Y196-S199 PolarHBondContact OH-O 3.5Å; Y196-I201 HydrophobicContact CE1-CD1 4.38Å; Y196-I201 HydrophobicContact CE1-CG1 4.07Å; Y196-I201 WeakPolarHBondContact OH-CD1 3.3Å; Y196-L248 HydrophobicContact CD2-CD1 4.39Å; Y196-L248 HydrophobicContact CE2-CD1 4.27Å; Y196-L296 WeakPolarHBondContact CB-O 3.5Å; Y196-L296 HydrophobicContact CD1-CB 4.44Å; Y196-L296 HydrophobicContact CD1-CD1 4.38Å; Y196-L296 HydrophobicContact CG-CB 4.43Å; Y196-L296 PolarHBondContact N-O 3.39Å | ||
| 197 | T | 74.4 | Confident | 82.8 | Confident | 122 Ų | 122 | 50.9 Ų | 50.9 | 75% | 0.748 | 27% | 0.273 | S | S | * | . | trans | -113.9 | 6.7 | -176.4 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | N195 | N195-T197 PolarHBondContact O-N 2.98Š| ||
| 198 | G | 72.7 | Confident | 82.6 | Confident | 28 Ų | 28 | 50 Ų | 50 | 29% | 0.289 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -81.7 | -173.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y196 | Y196-G198 VanDerWaalsContact CE1-C 3.45Å; Y196-G198 WeakPolarHBondContact CE1-O 3.29Å; Y196-G198 VanDerWaalsContact CZ-CA 3.44Å; Y196-G198 WeakPolarHBondContact OH-CA 3.3Å |
| 199 | S | 75.2 | Confident | 82.2 | Confident | 74 Ų | 74 | 42.8 Ų | 42.8 | 52% | 0.517 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -62.8 | 149.3 | 175.2 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | Y196 I201 | Y196-S199 WeakPolarHBondContact CE1-O 3.2Å; Y196-S199 PolarHBondContact OH-N 3.43Å; Y196-S199 PolarHBondContact OH-O 3.5Å; S199-I201 PolarHBondContact O-N 2.9Å |
| 200 | P | 80.6 | Confident | 81.7 | Confident | 64 Ų | 64 | 49.9 Ų | 49.9 | 42% | 0.416 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -51 | 133.3 | 179.6 | -28.4 | 35.5 | 0 | 0 | 0 | 112.7 | L293 E294 | P200-L293 WeakPolarHBondContact CA-O 3.29Å; P200-E294 HydrophobicContact CB-CG 4.05Å; P200-E294 HydrophobicContact CG-CG 4.03Å |
| 201 | I | 81.3 | Confident | 81.3 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 129.3 | 177.2 | -58.9 | -62.7 | 0 | 0 | 0 | 108.6 | Y196 S199 I203 V244 L248 L293 L296 | Y196-I201 HydrophobicContact CE1-CD1 4.38Å; Y196-I201 HydrophobicContact CE1-CG1 4.07Å; Y196-I201 WeakPolarHBondContact OH-CD1 3.3Å; S199-I201 PolarHBondContact O-N 2.9Å; I201-I203 HydrophobicContact CG2-CG2 4.42Å; I201-V244 HydrophobicContact CG2-CG1 3.51Å; I201-L248 HydrophobicContact CD1-CD1 4.47Å; I201-L248 HydrophobicContact CG1-CD2 4.31Å; I201-L293 HydrophobicContact CB-CB 4.23Å; I201-L293 HydrophobicContact CG2-CD1 4.47Å; I201-L293 PolarHBondContact N-O 2.93Å; I201-L293 PolarHBondContact O-N 3.41Å; I201-L296 HydrophobicContact CB-CD1 4.15Å; I201-L296 HydrophobicContact CG1-CD1 3.9Å |
| 202 | L | 83 | Confident | 80.7 | Confident | 66 Ų | 66 | 50.4 Ų | 50.4 | 35% | 0.346 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 126.2 | 178.9 | -55.9 | 180 | 0 | 0 | 0 | 109.5 | V290 K292 | L202-V290 HydrophobicContact CD2-CG2 4.35Å; L202-K292 HydrophobicContact CD2-CB 4.43Å; L202-K292 HydrophobicContact CD2-CD 4.36Å; L202-K292 HydrophobicContact CD2-CG 3.68Å |
| 203 | I | 85.9 | Confident | 79.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 146.6 | 167.2 | 66.5 | 175 | 0 | 0 | 0 | 108.8 | I201 L206 V244 V290 Y291 L293 L330 | I201-I203 HydrophobicContact CG2-CG2 4.42Å; I203-L206 HydrophobicContact CD1-CD1 4.37Å; I203-V244 HydrophobicContact CG2-CB 4.12Å; I203-V244 HydrophobicContact CG2-CG1 3.86Å; I203-V290 CarbonylContact O-C 3.54Å; I203-V290 VanDerWaalsContact O-CA 3.31Å; I203-V290 WeakPolarHBondContact O-CA 3.42Å; I203-V290 WeakPolarHBondContact O-CB 3.31Å; I203-Y291 PolarHBondContact N-O 3.13Å; I203-Y291 PolarHBondContact O-N 3.35Å; I203-L293 HydrophobicContact CD1-CD1 4.11Å; I203-L293 HydrophobicContact CD1-CG 4.46Å; I203-L293 HydrophobicContact CG1-CD1 4.46Å; I203-L293 HydrophobicContact CG2-CD1 4.22Å; I203-L330 HydrophobicContact CD1-CD1 3.37Å |
| 204 | P | 86.7 | Confident | 78.7 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 158 | 175.6 | 27.5 | -33.1 | 0 | 0 | 0 | 110.7 | L206 N237 L240 I286 | P204-L206 HydrophobicContact CG-CD2 4.1Å; P204-L206 VanDerWaalsContact O-CD2 3.24Å; P204-L206 WeakPolarHBondContact O-CD2 3.47Å; P204-L206 WeakPolarHBondContact O-CG 3.46Å; P204-L206 PolarHBondContact O-N 3.28Å; P204-L206 VanDerWaalsContact O-N 3.08Å; P204-N237 HydrophobicContact CB-CB 3.82Å; P204-N237 HydrophobicContact CG-CB 3.83Å; P204-N237 VanDerWaalsContact CG-O 3.24Å; P204-N237 WeakPolarHBondContact CG-O 3.48Å; P204-L240 HydrophobicContact CG-CB 3.97Å; P204-I286 HydrophobicContact CB-CG2 4.02Å |
| 205 | E | 84.9 | Confident | 77.4 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 17% | 0.173 | 34% | 0.341 | C | S | . | . | trans | -62.1 | 113.6 | 166.9 | -176.6 | 168 | -127.4 | 0 | 0 | 109.9 | I207 N237 P289 Y291 | E205-I207 WeakPolarHBondContact CG-O 3.5Å; E205-N237 WeakPolarHBondContact O-CB 3.35Å; E205-N237 PolarHBondContact O-ND2 3.1Å; E205-P289 HydrophobicContact CB-CB 4.49Å; E205-P289 HydrophobicContact CB-CG 3.82Å; E205-P289 HydrophobicContact CG-CG 4.44Å; E205-P289 PolarHBondContact N-O 3Å; E205-P289 WeakPolarHBondContact OE2-CG 3.36Å; E205-Y291 HydrophobicContact CB-CE2 4.29Å; E205-Y291 HydrophobicContact CG-CE2 4.02Å | ||
| 206 | L | 85.8 | Confident | 75.3 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | trans | -79.5 | -29.4 | -171.6 | -50.4 | 178.1 | 0 | 0 | 0 | 112 | I203 P204 N234 N237 I238 L358 L360 | I203-L206 HydrophobicContact CD1-CD1 4.37Å; P204-L206 HydrophobicContact CG-CD2 4.1Å; P204-L206 VanDerWaalsContact O-CD2 3.24Å; P204-L206 WeakPolarHBondContact O-CD2 3.47Å; P204-L206 WeakPolarHBondContact O-CG 3.46Å; P204-L206 PolarHBondContact O-N 3.28Å; P204-L206 VanDerWaalsContact O-N 3.08Å; L206-N234 PolarHBondContact O-N 3.34Å; L206-N237 VanDerWaalsContact CD2-O 3.31Å; L206-N237 WeakPolarHBondContact CD2-O 3.42Å; L206-I238 HydrophobicContact CB-CG1 4.18Å; L206-L358 HydrophobicContact CD1-CD2 3.51Å; L206-L360 HydrophobicContact CB-CD1 4.16Å; L206-L360 HydrophobicContact CD1-CD1 3.66Å; L206-L360 HydrophobicContact CD1-CD2 4.17Å; L206-L360 HydrophobicContact CG-CD1 4.49Å | ||
| 207 | I | 82.2 | Confident | 73.2 | Confident | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -131.2 | 129 | -175.5 | -68.6 | 145.1 | 0 | 0 | 0 | 108.7 | E205 W209 F232 L233 L360 I375 | E205-I207 WeakPolarHBondContact CG-O 3.5Å; I207-W209 HydrophobicContact CB-CZ2 4.43Å; I207-W209 HydrophobicContact CD1-CH2 4.22Å; I207-W209 HydrophobicContact CD1-CZ2 4.13Å; I207-W209 HydrophobicContact CG2-CD2 4.01Å; I207-W209 HydrophobicContact CG2-CE3 4.18Å; I207-W209 HydrophobicContact CG2-CG 4.38Å; I207-W209 HydrophobicContact CG2-CZ3 4.5Å; I207-W209 PolarHBondContact O-N 3.43Å; I207-W209 VanDerWaalsContact O-N 3.08Å; I207-F232 CarbonylContact C-O 3.59Å; I207-F232 WeakPolarHBondContact CA-O 3.29Å; I207-F232 HydrophobicContact CG2-CD2 4.05Å; I207-L233 HydrophobicContact CG1-CD2 4.08Å; I207-L360 HydrophobicContact CD1-CB 4.27Å; I207-L360 HydrophobicContact CD1-CD1 3.49Å; I207-L360 VanDerWaalsContact CD1-CD1 3.49Å; I207-I375 HydrophobicContact CD1-CB 4Å; I207-I375 HydrophobicContact CD1-CD1 3.52Å; I207-I375 HydrophobicContact CD1-CG1 4.33Å; I207-I375 HydrophobicContact CD1-CG2 3.81Å; I207-I375 HydrophobicContact CG1-CD1 4.11Å; I207-I375 HydrophobicContact CG2-CD1 3.96Å |
| 208 | S | 82.2 | Confident | 71.2 | Confident | 36 Ų | 36 | 75.5 Ų | 75.5 | 25% | 0.252 | 39% | 0.39 | S | S | . | . | trans | -77.9 | 89 | 167.7 | -60.4 | 0 | 0 | 0 | 0 | 109.4 | D210 K211 L212 F232 | S208-D210 PolarHBondContact O-N 3.17Å; S208-D210 VanDerWaalsContact O-N 3.14Å; S208-K211 PolarHBondContact O-N 2.86Å; S208-L212 PolarHBondContact O-N 3.41Å; S208-F232 PolarHBondContact N-O 3.32Å | ||
| 209 | W | 77.7 | Confident | 69.3 | Low | 29 Ų | 29 | 84 Ų | 84 | 11% | 0.11 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -55.6 | -32.7 | -176 | -65.1 | 100.3 | 0 | 0 | 0 | 113.6 | I207 K211 L212 Y291 L360 P373 I375 | I207-W209 HydrophobicContact CB-CZ2 4.43Å; I207-W209 HydrophobicContact CD1-CH2 4.22Å; I207-W209 HydrophobicContact CD1-CZ2 4.13Å; I207-W209 HydrophobicContact CG2-CD2 4.01Å; I207-W209 HydrophobicContact CG2-CE3 4.18Å; I207-W209 HydrophobicContact CG2-CG 4.38Å; I207-W209 HydrophobicContact CG2-CZ3 4.5Å; I207-W209 PolarHBondContact O-N 3.43Å; I207-W209 VanDerWaalsContact O-N 3.08Å; W209-K211 PolarHBondContact O-N 2.88Å; W209-L212 HydrophobicContact CE3-CD2 4.1Å; W209-L212 HydrophobicContact CZ3-CD2 4.17Å; W209-L212 VanDerWaalsContact O-CB 3.27Å; W209-L212 WeakPolarHBondContact O-CB 3.23Å; W209-L212 PolarHBondContact O-N 2.88Å; W209-L212 VanDerWaalsContact O-N 3.12Å; W209-Y291 PolarHBondContact NE1-OH 2.88Å; W209-L360 HydrophobicContact CH2-CB 4.42Å; W209-L360 HydrophobicContact CZ2-CB 4.35Å; W209-P373 HydrophobicContact CE3-CG 4.11Å; W209-P373 HydrophobicContact CZ3-CB 4.38Å; W209-P373 HydrophobicContact CZ3-CG 3.79Å; W209-I375 HydrophobicContact CH2-CD1 3.89Å; W209-I375 HydrophobicContact CH2-CG1 4.43Å; W209-I375 HydrophobicContact CZ3-CD1 3.69Å; W209-I375 HydrophobicContact CZ3-CG1 4.4Å |
| 210 | D | 77.1 | Confident | 67.4 | Low | 162 Ų | 162 | 84.7 Ų | 84.7 | 87% | 0.866 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -67 | -21.6 | 179.5 | -49.4 | -31.9 | 0 | 0 | 0 | 113.1 | S208 | S208-D210 PolarHBondContact O-N 3.17Å; S208-D210 VanDerWaalsContact O-N 3.14Å |
| 211 | K | 77.1 | Confident | 65.4 | Low | 135 Ų | 135 | 87.5 Ų | 87.5 | 59% | 0.587 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -99.1 | -1.5 | 178.1 | -61.6 | -176.9 | -178.4 | 177.4 | 0 | 112.5 | S208 W209 P213 F232 | S208-K211 PolarHBondContact O-N 2.86Å; W209-K211 PolarHBondContact O-N 2.88Å; K211-P213 WeakPolarHBondContact O-CD 3.48Å; K211-F232 HydrophobicContact CB-CB 4.02Å |
| 212 | L | 74.5 | Confident | 63.2 | Low | 28 Ų | 28 | 91.7 Ų | 91.7 | 15% | 0.147 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -67.6 | 121.7 | -179.1 | -167.2 | 74.6 | 0 | 0 | 0 | 108.7 | S208 W209 L214 F232 P373 I375 | S208-L212 PolarHBondContact O-N 3.41Å; W209-L212 HydrophobicContact CE3-CD2 4.1Å; W209-L212 HydrophobicContact CZ3-CD2 4.17Å; W209-L212 VanDerWaalsContact O-CB 3.27Å; W209-L212 WeakPolarHBondContact O-CB 3.23Å; W209-L212 PolarHBondContact O-N 2.88Å; W209-L212 VanDerWaalsContact O-N 3.12Å; L212-L214 VanDerWaalsContact C-N 3.31Å; L212-L214 HydrophobicContact CD2-CD2 4.47Å; L212-L214 PolarHBondContact O-N 3.44Å; L212-F232 HydrophobicContact CD1-CB 4.46Å; L212-F232 HydrophobicContact CD1-CD1 4.24Å; L212-F232 HydrophobicContact CD1-CD2 3.42Å; L212-F232 VanDerWaalsContact CD1-CD2 3.42Å; L212-F232 HydrophobicContact CD1-CE1 4.35Å; L212-F232 HydrophobicContact CD1-CE2 3.56Å; L212-F232 HydrophobicContact CD1-CG 3.79Å; L212-F232 HydrophobicContact CD1-CZ 4.05Å; L212-P373 HydrophobicContact CD2-CB 3.95Å; L212-P373 HydrophobicContact CD2-CG 4.08Å; L212-I375 HydrophobicContact CD1-CD1 3.75Å; L212-I375 HydrophobicContact CD2-CD1 4.22Å |
| 213 | P | 65.6 | Low | 61.3 | Low | 86 Ų | 86 | 92.3 Ų | 92.3 | 56% | 0.558 | 48% | 0.48 | S | S | * | . | trans | -71 | 91.9 | 177.1 | 27.1 | -31 | 0 | 0 | 0 | 109 | K211 K215 | K211-P213 WeakPolarHBondContact O-CD 3.48Å; P213-K215 PolarHBondContact O-N 3.33Å | ||
| 214 | L | 62.6 | Low | 59.6 | Low | 119 Ų | 119 | 98 Ų | 98 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | trans | -71 | 69.2 | 169.1 | -69.4 | 164.9 | 0 | 0 | 0 | 108.6 | L212 Q216 | L212-L214 VanDerWaalsContact C-N 3.31Å; L212-L214 HydrophobicContact CD2-CD2 4.47Å; L212-L214 PolarHBondContact O-N 3.44Å; L214-Q216 PolarHBondContact O-N 2.97Å; L214-Q216 VanDerWaalsContact O-N 3.13Å | ||
| 215 | K | 55.3 | Low | 58.1 | Low | 196 Ų | 196 | 107.1 Ų | 107.1 | 85% | 0.852 | 56% | 0.558 | S | S | * | * | trans | -71.8 | 110 | 172.6 | -85.2 | -168.9 | 175.5 | -177.4 | 0 | 109.2 | P213 E217 | P213-K215 PolarHBondContact O-N 3.33Å; K215-E217 PolarHBondContact O-N 3.14Å; K215-E217 VanDerWaalsContact O-N 3.1Å | ||
| 216 | Q | 38.1 | Very low | 56.7 | Low | 173 Ų | 173 | 109.1 Ų | 109.1 | 81% | 0.808 | 57% | 0.572 | S | S | * | * | trans | -57.5 | 97.8 | 162.7 | -68.5 | 174.1 | -14.2 | 0 | 0 | 109.8 | L214 | L214-Q216 PolarHBondContact O-N 2.97Å; L214-Q216 VanDerWaalsContact O-N 3.13Å | ||
| 217 | E | 34.6 | Very low | 55.3 | Low | 174 Ų | 174 | 115.2 Ų | 115.2 | 81% | 0.813 | 61% | 0.605 | S | S | * | * | trans | -133.9 | 108.9 | 146.6 | -78.1 | -167.5 | 170.6 | 0 | 0 | 108.8 | K215 K219 | K215-E217 PolarHBondContact O-N 3.14Å; K215-E217 VanDerWaalsContact O-N 3.1Å; E217-K219 PolarHBondContact O-N 2.76Å | ||
| 218 | E | 32.3 | Very low | 54.1 | Low | 170 Ų | 170 | 122.6 Ų | 122.6 | 79% | 0.794 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.6 | 132.4 | 167.9 | -63.4 | 176.6 | 151.5 | 0 | 0 | 109.3 | ||
| 219 | K | 33.7 | Very low | 52.9 | Low | 207 Ų | 207 | 126.6 Ų | 126.6 | 90% | 0.9 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.7 | 25.4 | 162.9 | -53.7 | 178.5 | 177.8 | 174.7 | 0 | 120.3 | E217 | E217-K219 PolarHBondContact O-N 2.76Š|
| 220 | S | 34.5 | Very low | 52.3 | Low | 87 Ų | 87 | 126.5 Ų | 126.5 | 61% | 0.608 | 67% | 0.666 | S | S | * | * | trans | -136.4 | 118.4 | 160.4 | 75.6 | 0 | 0 | 0 | 0 | 114 | T222 | S220-T222 WeakPolarHBondContact CB-OG1 3.39Å; S220-T222 PolarHBondContact O-N 3.22Å; S220-T222 VanDerWaalsContact O-N 3.08Å; S220-T222 PolarHBondContact OG-OG1 3.22Å | ||
| 221 | S | 37.9 | Very low | 52 | Low | 123 Ų | 123 | 125.4 Ų | 125.4 | 86% | 0.86 | 66% | 0.661 | S | S | * | * | trans | -73.1 | 21.9 | 170.6 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 222 | T | 35.4 | Very low | 52 | Low | 95 Ų | 95 | 119.7 Ų | 119.7 | 58% | 0.583 | 64% | 0.636 | S | S | * | * | trans | -89 | 124.9 | -175.4 | 30.5 | 0 | 0 | 0 | 0 | 111.1 | S220 T224 | S220-T222 WeakPolarHBondContact CB-OG1 3.39Å; S220-T222 PolarHBondContact O-N 3.22Å; S220-T222 VanDerWaalsContact O-N 3.08Å; S220-T222 PolarHBondContact OG-OG1 3.22Å; T222-T224 PolarHBondContact O-N 3.4Å | ||
| 223 | C | 42.9 | Very low | 52.1 | Low | 79 Ų | 79 | 119.9 Ų | 119.9 | 53% | 0.534 | 64% | 0.637 | S | S | . | * | trans | -55.2 | 117.7 | 165.2 | -99.7 | 0 | 0 | 0 | 0 | 108.9 | E225 K318 | C223-E225 PolarHBondContact O-N 3.5Å; C223-K318 PolarHBondContact SG-NZ 2.82Å; C223-K318 VanDerWaalsContact SG-NZ 3.37Å | ||
| 224 | T | 51.5 | Low | 52.9 | Low | 119 Ų | 119 | 118.7 Ų | 118.7 | 73% | 0.73 | 63% | 0.626 | S | S | * | * | trans | -78.6 | 112.1 | 165.6 | 32.2 | 0 | 0 | 0 | 0 | 108.8 | T222 T226 | T222-T224 PolarHBondContact O-N 3.4Å; T224-T226 PolarHBondContact O-N 2.82Å | ||
| 225 | E | 53.7 | Low | 53.8 | Low | 192 Ų | 192 | 117.8 Ų | 117.8 | 90% | 0.897 | 62% | 0.62 | S | S | * | * | trans | -64.8 | 125.9 | 166.9 | -72.1 | -176.5 | 165.1 | 0 | 0 | 108.2 | C223 | C223-E225 PolarHBondContact O-N 3.5Š| ||
| 226 | T | 56.5 | Low | 55.1 | Low | 78 Ų | 78 | 112.8 Ų | 112.8 | 48% | 0.479 | 61% | 0.606 | S | S | . | * | trans | -116.7 | 135.6 | -178.5 | 34.5 | 0 | 0 | 0 | 0 | 109.2 | T224 F232 | T224-T226 PolarHBondContact O-N 2.82Å; T226-F232 HydrophobicContact CG2-CE1 4.39Å; T226-F232 HydrophobicContact CG2-CZ 4.09Å | ||
| 227 | D | 56.4 | Low | 57.4 | Low | 129 Ų | 129 | 105.8 Ų | 105.8 | 69% | 0.69 | 57% | 0.574 | S | S | * | * | trans | -64.3 | 147.2 | -179.6 | -100.6 | -30 | 0 | 0 | 0 | 111.3 | T229 S230 | D227-T229 PolarHBondContact O-N 3.43Å; D227-S230 WeakPolarHBondContact O-CB 3.48Å; D227-S230 PolarHBondContact O-N 2.81Å; D227-S230 VanDerWaalsContact O-N 3.14Å; D227-S230 PolarHBondContact O-OG 2.91Å | ||
| 228 | E | 57.5 | Low | 59.9 | Low | 157 Ų | 157 | 98.5 Ų | 98.5 | 73% | 0.734 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -21.2 | -179.8 | -65.8 | -177.7 | 168.1 | 0 | 0 | 113.2 | S230 I235 | E228-S230 VanDerWaalsContact C-N 3.32Å; E228-S230 PolarHBondContact O-N 3.43Å; E228-I235 HydrophobicContact CB-CD1 4.47Å; E228-I235 WeakPolarHBondContact O-CD1 3.48Å |
| 229 | T | 56.2 | Low | 62.4 | Low | 120 Ų | 120 | 99 Ų | 99 | 74% | 0.736 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 11.8 | -177.4 | 59.6 | 0 | 0 | 0 | 0 | 114.4 | D227 | D227-T229 PolarHBondContact O-N 3.43Š|
| 230 | S | 65.9 | Low | 64.8 | Low | 27 Ų | 27 | 89.5 Ų | 89.5 | 19% | 0.189 | 49% | 0.494 | C | S | . | . | trans | -71.8 | 129.3 | -176.3 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | D227 E228 F232 L233 | D227-S230 WeakPolarHBondContact O-CB 3.48Å; D227-S230 PolarHBondContact O-N 2.81Å; D227-S230 VanDerWaalsContact O-N 3.14Å; D227-S230 PolarHBondContact O-OG 2.91Å; E228-S230 VanDerWaalsContact C-N 3.32Å; E228-S230 PolarHBondContact O-N 3.43Å; S230-F232 PolarHBondContact O-N 2.82Å; S230-L233 PolarHBondContact O-N 2.83Å | ||
| 231 | D | 71.1 | Confident | 67.3 | Low | 140 Ų | 140 | 85.3 Ų | 85.3 | 75% | 0.749 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -17.7 | -174.6 | -70.1 | -24 | 0 | 0 | 0 | 115.8 | ||
| 232 | F | 76.2 | Confident | 69.7 | Low | 14 Ų | 14 | 80.5 Ų | 80.5 | 6% | 0.061 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -15.8 | 176.1 | 69.8 | -93.7 | 0 | 0 | 0 | 113.1 | I207 S208 K211 L212 T226 S230 I375 | I207-F232 CarbonylContact C-O 3.59Å; I207-F232 WeakPolarHBondContact CA-O 3.29Å; I207-F232 HydrophobicContact CG2-CD2 4.05Å; S208-F232 PolarHBondContact N-O 3.32Å; K211-F232 HydrophobicContact CB-CB 4.02Å; L212-F232 HydrophobicContact CD1-CB 4.46Å; L212-F232 HydrophobicContact CD1-CD1 4.24Å; L212-F232 HydrophobicContact CD1-CD2 3.42Å; L212-F232 VanDerWaalsContact CD1-CD2 3.42Å; L212-F232 HydrophobicContact CD1-CE1 4.35Å; L212-F232 HydrophobicContact CD1-CE2 3.56Å; L212-F232 HydrophobicContact CD1-CG 3.79Å; L212-F232 HydrophobicContact CD1-CZ 4.05Å; T226-F232 HydrophobicContact CG2-CE1 4.39Å; T226-F232 HydrophobicContact CG2-CZ 4.09Å; S230-F232 PolarHBondContact O-N 2.82Å; F232-I375 HydrophobicContact CE2-CD1 4.48Å |
| 233 | L | 77.2 | Confident | 71.9 | Confident | 33 Ų | 33 | 77.7 Ų | 77.7 | 17% | 0.173 | 41% | 0.412 | C | S | . | . | B | Isolated β-bridge | trans | -94.5 | 120.1 | 175.8 | -65.3 | 172.9 | 0 | 0 | 0 | 109.4 | I207 S230 I238 | I207-L233 HydrophobicContact CG1-CD2 4.08Å; S230-L233 PolarHBondContact O-N 2.83Å; L233-I238 HydrophobicContact CB-CD1 4.15Å; L233-I238 HydrophobicContact CD2-CD1 3.93Å |
| 234 | N | 81.5 | Confident | 73.9 | Confident | 61 Ų | 61 | 73.9 Ų | 73.9 | 33% | 0.326 | 39% | 0.387 | S | S | . | . | trans | -98.4 | 95.9 | 170 | -176.9 | -21.7 | 0 | 0 | 0 | 109 | L206 V236 N237 I238 | L206-N234 PolarHBondContact O-N 3.34Å; N234-V236 PolarHBondContact O-N 3.3Å; N234-V236 WeakPolarHBondContact OD1-CB 3.34Å; N234-V236 PolarHBondContact OD1-N 3.05Å; N234-V236 VanDerWaalsContact OD1-N 3.16Å; N234-N237 HydrophobicContact CB-CB 3.94Å; N234-N237 VanDerWaalsContact CG-CG 3.49Å; N234-N237 VanDerWaalsContact ND2-CG 3.29Å; N234-N237 PolarHBondContact ND2-ND2 3.13Å; N234-N237 PolarHBondContact ND2-OD1 3.29Å; N234-N237 PolarHBondContact O-N 3.37Å; N234-N237 PolarHBondContact OD1-N 2.92Å; N234-N237 VanDerWaalsContact OD1-N 3.14Å; N234-I238 WeakPolarHBondContact O-CG1 3.12Å; N234-I238 PolarHBondContact O-N 2.9Å | ||
| 235 | I | 81.3 | Confident | 75.5 | Confident | 99 Ų | 99 | 68.2 Ų | 68.2 | 51% | 0.508 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -54.4 | -37.9 | -177.6 | -61.4 | 176.6 | 0 | 0 | 0 | 111.8 | E228 I238 R239 | E228-I235 HydrophobicContact CB-CD1 4.47Å; E228-I235 WeakPolarHBondContact O-CD1 3.48Å; I235-I238 PolarHBondContact O-N 3.01Å; I235-R239 WeakPolarHBondContact O-CB 2.95Å; I235-R239 PolarHBondContact O-N 2.93Å |
| 236 | V | 82.9 | Confident | 76.8 | Confident | 92 Ų | 92 | 61.2 Ų | 61.2 | 56% | 0.558 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.6 | -49.3 | 178.4 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | N234 I238 R239 L240 | N234-V236 PolarHBondContact O-N 3.3Å; N234-V236 WeakPolarHBondContact OD1-CB 3.34Å; N234-V236 PolarHBondContact OD1-N 3.05Å; N234-V236 VanDerWaalsContact OD1-N 3.16Å; V236-I238 PolarHBondContact O-N 3.13Å; V236-R239 PolarHBondContact O-N 3.28Å; V236-L240 HydrophobicContact CG1-CD1 4.13Å; V236-L240 WeakPolarHBondContact O-CG 3.26Å; V236-L240 PolarHBondContact O-N 2.7Å |
| 237 | N | 86.8 | Confident | 77.8 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 13% | 0.134 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 177.1 | -72.4 | 6.4 | 0 | 0 | 0 | 111.9 | P204 E205 L206 N234 R239 L240 G241 | P204-N237 HydrophobicContact CB-CB 3.82Å; P204-N237 HydrophobicContact CG-CB 3.83Å; P204-N237 VanDerWaalsContact CG-O 3.24Å; P204-N237 WeakPolarHBondContact CG-O 3.48Å; E205-N237 WeakPolarHBondContact O-CB 3.35Å; E205-N237 PolarHBondContact O-ND2 3.1Å; L206-N237 VanDerWaalsContact CD2-O 3.31Å; L206-N237 WeakPolarHBondContact CD2-O 3.42Å; N234-N237 HydrophobicContact CB-CB 3.94Å; N234-N237 VanDerWaalsContact CG-CG 3.49Å; N234-N237 VanDerWaalsContact ND2-CG 3.29Å; N234-N237 PolarHBondContact ND2-ND2 3.13Å; N234-N237 PolarHBondContact ND2-OD1 3.29Å; N234-N237 PolarHBondContact O-N 3.37Å; N234-N237 PolarHBondContact OD1-N 2.92Å; N234-N237 VanDerWaalsContact OD1-N 3.14Å; N237-R239 PolarHBondContact O-N 3.19Å; N237-L240 PolarHBondContact O-N 3.05Å; N237-G241 PolarHBondContact O-N 3.42Å |
| 238 | I | 87 | Confident | 78.7 | Confident | 22 Ų | 22 | 54 Ų | 54 | 11% | 0.113 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.3 | -49.1 | 175.9 | -68.7 | 166.1 | 0 | 0 | 0 | 110.1 | L206 L233 N234 I235 V236 L240 G241 L242 I377 | L206-I238 HydrophobicContact CB-CG1 4.18Å; L233-I238 HydrophobicContact CB-CD1 4.15Å; L233-I238 HydrophobicContact CD2-CD1 3.93Å; N234-I238 WeakPolarHBondContact O-CG1 3.12Å; N234-I238 PolarHBondContact O-N 2.9Å; I235-I238 PolarHBondContact O-N 3.01Å; V236-I238 PolarHBondContact O-N 3.13Å; I238-L240 PolarHBondContact O-N 3.36Å; I238-G241 PolarHBondContact O-N 3.34Å; I238-L242 HydrophobicContact CG2-CD1 3.79Å; I238-L242 HydrophobicContact CG2-CG 4.28Å; I238-L242 WeakPolarHBondContact O-CB 3.32Å; I238-L242 VanDerWaalsContact O-CG 3.24Å; I238-L242 WeakPolarHBondContact O-CG 3.49Å; I238-L242 PolarHBondContact O-N 2.83Å; I238-I377 HydrophobicContact CD1-CD1 4.22Å; I238-I377 HydrophobicContact CG1-CD1 4.33Å; I238-I377 HydrophobicContact CG2-CG2 4.4Å |
| 239 | R | 84.5 | Confident | 79.7 | Confident | 180 Ų | 180 | 46.9 Ų | 46.9 | 68% | 0.679 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.1 | -45.3 | 177.3 | 178.7 | -176.1 | 153.4 | -158 | -11.7 | 111.7 | I235 V236 N237 T243 | I235-R239 WeakPolarHBondContact O-CB 2.95Å; I235-R239 PolarHBondContact O-N 2.93Å; V236-R239 PolarHBondContact O-N 3.28Å; N237-R239 PolarHBondContact O-N 3.19Å; R239-T243 WeakPolarHBondContact O-CB 3.38Å; R239-T243 PolarHBondContact O-N 2.66Å; R239-T243 PolarHBondContact O-OG1 3.07Å |
| 240 | L | 84.4 | Confident | 80.3 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.5 | -48.5 | 178.3 | -71 | 173.7 | 0 | 0 | 0 | 111.3 | P204 V236 N237 I238 L242 T243 V244 T282 E285 | P204-L240 HydrophobicContact CG-CB 3.97Å; V236-L240 HydrophobicContact CG1-CD1 4.13Å; V236-L240 WeakPolarHBondContact O-CG 3.26Å; V236-L240 PolarHBondContact O-N 2.7Å; N237-L240 PolarHBondContact O-N 3.05Å; I238-L240 PolarHBondContact O-N 3.36Å; L240-L242 PolarHBondContact O-N 3.28Å; L240-T243 WeakPolarHBondContact O-CB 3.33Å; L240-T243 PolarHBondContact O-N 2.62Å; L240-T243 VanDerWaalsContact O-N 3.12Å; L240-V244 WeakPolarHBondContact O-CG2 3.25Å; L240-V244 PolarHBondContact O-N 3.27Å; L240-T282 HydrophobicContact CB-CG2 4.47Å; L240-T282 HydrophobicContact CD2-CG2 3.64Å; L240-E285 HydrophobicContact CD1-CB 4.12Å; L240-E285 HydrophobicContact CD2-CB 4.06Å |
| 241 | G | 87.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N237 I238 T243 V244 L245 | N237-G241 PolarHBondContact O-N 3.42Å; I238-G241 PolarHBondContact O-N 3.34Å; G241-T243 VanDerWaalsContact C-N 3.28Å; G241-T243 PolarHBondContact O-N 2.97Å; G241-V244 PolarHBondContact O-N 3.29Å; G241-L245 WeakPolarHBondContact O-CB 3.37Å; G241-L245 VanDerWaalsContact O-CG 3.32Å; G241-L245 WeakPolarHBondContact O-CG 3.46Å; G241-L245 PolarHBondContact O-N 3.08Å |
| 242 | L | 87.7 | Confident | 79.1 | Confident | 21 Ų | 21 | 38.4 Ų | 38.4 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -35.7 | 174 | -70.9 | 176.1 | 0 | 0 | 0 | 111.9 | I238 L240 S246 Y332 L358 F379 | I238-L242 HydrophobicContact CG2-CD1 3.79Å; I238-L242 HydrophobicContact CG2-CG 4.28Å; I238-L242 WeakPolarHBondContact O-CB 3.32Å; I238-L242 VanDerWaalsContact O-CG 3.24Å; I238-L242 WeakPolarHBondContact O-CG 3.49Å; I238-L242 PolarHBondContact O-N 2.83Å; L240-L242 PolarHBondContact O-N 3.28Å; L242-S246 WeakPolarHBondContact O-CB 3.26Å; L242-S246 PolarHBondContact O-N 3.14Å; L242-S246 PolarHBondContact O-OG 2.87Å; L242-Y332 HydrophobicContact CD2-CD2 4.19Å; L242-Y332 HydrophobicContact CD2-CE2 3.95Å; L242-L358 HydrophobicContact CD2-CB 4.37Å; L242-L358 HydrophobicContact CD2-CD2 4.13Å; L242-F379 HydrophobicContact CD1-CB 3.65Å; L242-F379 HydrophobicContact CD1-CD1 3.87Å; L242-F379 HydrophobicContact CD1-CD2 4.4Å; L242-F379 HydrophobicContact CD1-CG 3.72Å; L242-F379 HydrophobicContact CD2-CD1 3.46Å; L242-F379 VanDerWaalsContact CD2-CD1 3.46Å; L242-F379 HydrophobicContact CD2-CD2 4.46Å; L242-F379 HydrophobicContact CD2-CE1 3.46Å; L242-F379 VanDerWaalsContact CD2-CE1 3.46Å; L242-F379 HydrophobicContact CD2-CE2 4.47Å; L242-F379 HydrophobicContact CD2-CG 4Å; L242-F379 HydrophobicContact CD2-CZ 4.01Å; L242-F379 HydrophobicContact CG-CD1 4.34Å; L242-F379 HydrophobicContact CG-CG 4.49Å |
| 243 | T | 82.7 | Confident | 77.6 | Confident | 36 Ų | 36 | 40.3 Ų | 40.3 | 22% | 0.221 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.1 | -47.4 | 175.5 | -59.4 | 0 | 0 | 0 | 0 | 110.5 | R239 L240 G241 S246 H247 T282 | R239-T243 WeakPolarHBondContact O-CB 3.38Å; R239-T243 PolarHBondContact O-N 2.66Å; R239-T243 PolarHBondContact O-OG1 3.07Å; L240-T243 WeakPolarHBondContact O-CB 3.33Å; L240-T243 PolarHBondContact O-N 2.62Å; L240-T243 VanDerWaalsContact O-N 3.12Å; G241-T243 VanDerWaalsContact C-N 3.28Å; G241-T243 PolarHBondContact O-N 2.97Å; T243-S246 PolarHBondContact O-N 3.08Å; T243-H247 VanDerWaalsContact CG2-CE1 3.49Å; T243-H247 WeakPolarHBondContact CG2-CE1 3.38Å; T243-H247 PolarHBondContact O-N 3.28Å; T243-H247 PolarHBondContact O-ND1 2.75Å; T243-T282 HydrophobicContact CG2-CG2 3.83Å |
| 244 | V | 82.9 | Confident | 75.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 176.6 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | I201 I203 L240 G241 S246 H247 L248 Y279 T282 I286 | I201-V244 HydrophobicContact CG2-CG1 3.51Å; I203-V244 HydrophobicContact CG2-CB 4.12Å; I203-V244 HydrophobicContact CG2-CG1 3.86Å; L240-V244 WeakPolarHBondContact O-CG2 3.25Å; L240-V244 PolarHBondContact O-N 3.27Å; G241-V244 PolarHBondContact O-N 3.29Å; V244-S246 VanDerWaalsContact C-N 3.32Å; V244-S246 PolarHBondContact O-N 3.33Å; V244-H247 PolarHBondContact O-N 3.16Å; V244-L248 PolarHBondContact O-N 2.87Å; V244-Y279 HydrophobicContact CB-CE2 4.38Å; V244-Y279 HydrophobicContact CG1-CE2 4.11Å; V244-Y279 HydrophobicContact CG2-CE2 4.2Å; V244-T282 HydrophobicContact CG2-CG2 4.07Å; V244-I286 HydrophobicContact CG2-CD1 4.23Å |
| 245 | L | 86.2 | Confident | 73.7 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -37.7 | 178.9 | -69.3 | 166.3 | 0 | 0 | 0 | 112.2 | I11 G241 L248 A249 L293 L330 Y332 L358 | I11-L245 HydrophobicContact CD1-CD2 4.37Å; I11-L245 WeakPolarHBondContact CD1-O 3.13Å; I11-L245 HydrophobicContact CG2-CD2 4.26Å; G241-L245 WeakPolarHBondContact O-CB 3.37Å; G241-L245 VanDerWaalsContact O-CG 3.32Å; G241-L245 WeakPolarHBondContact O-CG 3.46Å; G241-L245 PolarHBondContact O-N 3.08Å; L245-L248 PolarHBondContact O-N 2.82Å; L245-A249 WeakPolarHBondContact O-CB 3.17Å; L245-A249 PolarHBondContact O-N 3.12Å; L245-L293 HydrophobicContact CD2-CD1 4.18Å; L245-L330 HydrophobicContact CD2-CD2 4.33Å; L245-Y332 HydrophobicContact CB-CD1 4.32Å; L245-Y332 HydrophobicContact CB-CD2 3.77Å; L245-Y332 HydrophobicContact CB-CE1 4.38Å; L245-Y332 HydrophobicContact CB-CE2 3.82Å; L245-Y332 HydrophobicContact CB-CG 4.01Å; L245-Y332 HydrophobicContact CD1-CD2 3.74Å; L245-Y332 HydrophobicContact CD1-CE2 4.45Å; L245-Y332 HydrophobicContact CD1-CG 4.11Å; L245-Y332 HydrophobicContact CG-CD2 4.32Å; L245-Y332 HydrophobicContact CG-CG 4.46Å; L245-L358 HydrophobicContact CD1-CD1 4.11Å |
| 246 | S | 81.3 | Confident | 71.7 | Confident | 44 Ų | 44 | 45 Ų | 45 | 31% | 0.308 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 175.7 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | L242 T243 V244 L248 A249 A250 Y332 | L242-S246 WeakPolarHBondContact O-CB 3.26Å; L242-S246 PolarHBondContact O-N 3.14Å; L242-S246 PolarHBondContact O-OG 2.87Å; T243-S246 PolarHBondContact O-N 3.08Å; V244-S246 VanDerWaalsContact C-N 3.32Å; V244-S246 PolarHBondContact O-N 3.33Å; S246-L248 VanDerWaalsContact C-N 3.34Å; S246-A249 PolarHBondContact O-N 3.11Å; S246-A250 VanDerWaalsContact O-CB 3.22Å; S246-A250 WeakPolarHBondContact O-CB 3.4Å; S246-A250 PolarHBondContact O-N 2.75Å; S246-Y332 PolarHBondContact OG-OH 2.89Å; S246-Y332 VanDerWaalsContact OG-OH 3.05Å |
| 247 | H | 76.1 | Confident | 69.6 | Low | 57 Ų | 57 | 47 Ų | 47 | 26% | 0.264 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.3 | -37.3 | 172.7 | -78.3 | 83.7 | 0 | 0 | 0 | 111.7 | T243 V244 G251 L270 Y279 | T243-H247 VanDerWaalsContact CG2-CE1 3.49Å; T243-H247 WeakPolarHBondContact CG2-CE1 3.38Å; T243-H247 PolarHBondContact O-N 3.28Å; T243-H247 PolarHBondContact O-ND1 2.75Å; V244-H247 PolarHBondContact O-N 3.16Å; H247-G251 WeakPolarHBondContact O-CA 3.25Å; H247-G251 PolarHBondContact O-N 2.97Å; H247-L270 HydrophobicContact CB-CD2 4.01Å; H247-Y279 HydrophobicContact CB-CD2 3.7Å; H247-Y279 HydrophobicContact CB-CE2 4Å; H247-Y279 AromaticContact CG-CD2 3.71Å |
| 248 | L | 76.9 | Confident | 67.3 | Low | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 173.8 | -174.8 | 63.8 | 0 | 0 | 0 | 111 | I11 Y196 I201 V244 L245 S246 I252 L270 L296 I298 | I11-L248 HydrophobicContact CD1-CB 4.09Å; I11-L248 HydrophobicContact CD1-CD2 3.9Å; I11-L248 HydrophobicContact CD1-CG 4.04Å; I11-L248 HydrophobicContact CG1-CD2 4.4Å; I11-L248 HydrophobicContact CG2-CD2 4.03Å; Y196-L248 HydrophobicContact CD2-CD1 4.39Å; Y196-L248 HydrophobicContact CE2-CD1 4.27Å; I201-L248 HydrophobicContact CD1-CD1 4.47Å; I201-L248 HydrophobicContact CG1-CD2 4.31Å; V244-L248 PolarHBondContact O-N 2.87Å; L245-L248 PolarHBondContact O-N 2.82Å; S246-L248 VanDerWaalsContact C-N 3.34Å; L248-I252 HydrophobicContact CD1-CD1 4.2Å; L248-I252 PolarHBondContact O-N 3.09Å; L248-L270 HydrophobicContact CD1-CD1 3.68Å; L248-L296 HydrophobicContact CD2-CD1 3.87Å; L248-I298 HydrophobicContact CD1-CD1 4.3Å; L248-I298 HydrophobicContact CD2-CD1 4.23Å; L248-I298 HydrophobicContact CG-CD1 4.14Å |
| 249 | A | 78.2 | Confident | 64.9 | Low | 7 Ų | 7 | 53.9 Ų | 53.9 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.1 | -42 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I9 I11 L245 S246 Y332 | I9-A249 HydrophobicContact CB-CB 4.49Å; I9-A249 HydrophobicContact CD1-CB 4.18Å; I9-A249 HydrophobicContact CG2-CB 4Å; I11-A249 HydrophobicContact CD1-CB 4.03Å; L245-A249 WeakPolarHBondContact O-CB 3.17Å; L245-A249 PolarHBondContact O-N 3.12Å; S246-A249 PolarHBondContact O-N 3.11Å; A249-Y332 HydrophobicContact CB-CE1 4.05Å |
| 250 | A | 69.1 | Low | 62.8 | Low | 88 Ų | 88 | 50.4 Ų | 50.4 | 73% | 0.727 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -81.3 | -27.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S246 | S246-A250 VanDerWaalsContact O-CB 3.22Å; S246-A250 WeakPolarHBondContact O-CB 3.4Å; S246-A250 PolarHBondContact O-N 2.75Å |
| 251 | G | 57.5 | Low | 60.7 | Low | 12 Ų | 12 | 56.8 Ų | 56.8 | 12% | 0.124 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -91.8 | -18.4 | -165.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H247 S253 N267 | H247-G251 WeakPolarHBondContact O-CA 3.25Å; H247-G251 PolarHBondContact O-N 2.97Å; G251-S253 PolarHBondContact O-N 3.18Å; G251-N267 VanDerWaalsContact C-ND2 3.29Å; G251-N267 WeakPolarHBondContact CA-ND2 3.27Å; G251-N267 WeakPolarHBondContact O-CB 3.41Å; G251-N267 PolarHBondContact O-ND2 3.14Å |
| 252 | I | 54.2 | Low | 58.6 | Low | 8 Ų | 8 | 59.2 Ų | 59.2 | 4% | 0.041 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -65.4 | 107.3 | 171.4 | -74.5 | 165.9 | 0 | 0 | 0 | 107.9 | L248 F254 P264 I298 | L248-I252 HydrophobicContact CD1-CD1 4.2Å; L248-I252 PolarHBondContact O-N 3.09Å; I252-F254 VanDerWaalsContact C-N 3.28Å; I252-F254 HydrophobicContact CB-CE2 4.26Å; I252-F254 HydrophobicContact CB-CZ 4.44Å; I252-F254 HydrophobicContact CG2-CD1 4.49Å; I252-F254 HydrophobicContact CG2-CD2 4.36Å; I252-F254 HydrophobicContact CG2-CE1 4.13Å; I252-F254 HydrophobicContact CG2-CE2 3.99Å; I252-F254 HydrophobicContact CG2-CZ 3.86Å; I252-F254 WeakPolarHBondContact O-CD2 3.49Å; I252-F254 WeakPolarHBondContact O-CE2 3.4Å; I252-F254 PolarHBondContact O-N 2.85Å; I252-P264 HydrophobicContact CB-CB 4.43Å; I252-P264 HydrophobicContact CD1-CB 4.28Å; I252-P264 HydrophobicContact CG1-CB 4.3Å; I252-P264 HydrophobicContact CG2-CB 3.34Å; I252-P264 HydrophobicContact CG2-CG 3.62Å; I252-I298 HydrophobicContact CD1-CB 4.48Å; I252-I298 HydrophobicContact CD1-CD1 3.03Å; I252-I298 HydrophobicContact CD1-CG1 4.27Å; I252-I298 HydrophobicContact CD1-CG2 4.14Å; I252-I298 HydrophobicContact CG1-CD1 4.49Å |
| 253 | S | 43.6 | Very low | 56.9 | Low | 55 Ų | 55 | 62.8 Ų | 62.8 | 39% | 0.385 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | -64.8 | 93.1 | 174.5 | 32.5 | 0 | 0 | 0 | 0 | 107.9 | G251 P255 S265 | G251-S253 PolarHBondContact O-N 3.18Å; S253-P255 WeakPolarHBondContact O-CD 3.13Å; S253-S265 PolarHBondContact O-OG 2.91Å; S253-S265 PolarHBondContact OG-OG 2.8Å |
| 254 | F | 42.1 | Very low | 55.5 | Low | 67 Ų | 67 | 61.8 Ų | 61.8 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | trans | -67.2 | 112.9 | 158.9 | -60.5 | -80 | 0 | 0 | 0 | 105.8 | F194 I252 Y300 | F194-F254 HydrophobicContact CD2-CE1 4.28Å; F194-F254 HydrophobicContact CE2-CD1 4.48Å; F194-F254 AromaticContact CE2-CE1 3.64Å; F194-F254 HydrophobicContact CE2-CE1 3.64Å; F194-F254 HydrophobicContact CZ-CE1 4.1Å; I252-F254 VanDerWaalsContact C-N 3.28Å; I252-F254 HydrophobicContact CB-CE2 4.26Å; I252-F254 HydrophobicContact CB-CZ 4.44Å; I252-F254 HydrophobicContact CG2-CD1 4.49Å; I252-F254 HydrophobicContact CG2-CD2 4.36Å; I252-F254 HydrophobicContact CG2-CE1 4.13Å; I252-F254 HydrophobicContact CG2-CE2 3.99Å; I252-F254 HydrophobicContact CG2-CZ 3.86Å; I252-F254 WeakPolarHBondContact O-CD2 3.49Å; I252-F254 WeakPolarHBondContact O-CE2 3.4Å; I252-F254 PolarHBondContact O-N 2.85Å; F254-Y300 HydrophobicContact CE1-CD2 4.45Å; F254-Y300 HydrophobicContact CE1-CG 4.34Å; F254-Y300 HydrophobicContact CE2-CD2 4.23Å; F254-Y300 HydrophobicContact CE2-CE2 4.42Å; F254-Y300 AromaticContact CZ-CD2 3.93Å; F254-Y300 HydrophobicContact CZ-CD2 3.93Å; F254-Y300 HydrophobicContact CZ-CG 4.24Å | ||
| 255 | P | 35.1 | Very low | 54.1 | Low | 68 Ų | 68 | 64.6 Ų | 64.6 | 44% | 0.442 | 42% | 0.415 | S | S | . | . | trans | -61.3 | 146.2 | 172 | 25.1 | -27.2 | 0 | 0 | 0 | 108.2 | S253 S257 C262 | S253-P255 WeakPolarHBondContact O-CD 3.13Å; P255-S257 PolarHBondContact O-N 3.02Å; P255-C262 HydrophobicContact CG-CB 3.2Å; P255-C262 WeakPolarHBondContact CG-SG 3.23Å | ||
| 256 | D | 39.5 | Very low | 52.8 | Low | 157 Ų | 157 | 70.3 Ų | 70.3 | 84% | 0.84 | 44% | 0.437 | S | S | * | . | trans | -41.5 | 134.7 | -179.4 | -75.7 | -41.9 | 0 | 0 | 0 | 111.1 | A258 | D256-A258 PolarHBondContact O-N 2.88Š| ||
| 257 | S | 37.7 | Very low | 52 | Low | 134 Ų | 134 | 69.5 Ų | 69.5 | 94% | 0.937 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 33.3 | -159.3 | 46.5 | 0 | 0 | 0 | 0 | 118.1 | P255 | P255-S257 PolarHBondContact O-N 3.02Š|
| 258 | A | 39.4 | Very low | 51.7 | Low | 91 Ų | 91 | 69.5 Ų | 69.5 | 75% | 0.752 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | -8.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | D256 | D256-A258 PolarHBondContact O-N 2.88Š|
| 259 | V | 35.7 | Very low | 51.4 | Low | 99 Ų | 99 | 71.5 Ų | 71.5 | 60% | 0.6 | 45% | 0.448 | S | S | * | . | trans | -134.4 | 105 | -174.5 | -166.4 | 0 | 0 | 0 | 0 | 111.4 | N261 | V259-N261 PolarHBondContact O-N 3.17Š| ||
| 260 | S | 40.3 | Very low | 50.9 | Low | 107 Ų | 107 | 71.8 Ų | 71.8 | 75% | 0.748 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 20.6 | -173.3 | 74.4 | 0 | 0 | 0 | 0 | 116.3 | ||
| 261 | N | 42 | Very low | 50.7 | Low | 142 Ų | 142 | 70.7 Ų | 70.7 | 76% | 0.759 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.1 | 15 | -173.6 | -81.2 | -18.9 | 0 | 0 | 0 | 113.9 | V259 V263 | V259-N261 PolarHBondContact O-N 3.17Å; N261-V263 PolarHBondContact O-N 2.86Å |
| 262 | C | 43.1 | Very low | 51.3 | Low | 51 Ų | 51 | 73.4 Ų | 73.4 | 35% | 0.345 | 44% | 0.444 | S | S | . | . | trans | -88.5 | 109.9 | -178 | -69.2 | 0 | 0 | 0 | 0 | 111.6 | P255 | P255-C262 HydrophobicContact CG-CB 3.2Å; P255-C262 WeakPolarHBondContact CG-SG 3.23Å | ||
| 263 | V | 51.7 | Low | 52.1 | Low | 95 Ų | 95 | 75.8 Ų | 75.8 | 58% | 0.576 | 47% | 0.466 | S | S | * | . | trans | -61.1 | 138.7 | 166.2 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | N261 S265 | N261-V263 PolarHBondContact O-N 2.86Å; V263-S265 PolarHBondContact O-N 3.13Å | ||
| 264 | P | 51.9 | Low | 53.7 | Low | 16 Ų | 16 | 77.5 Ų | 77.5 | 10% | 0.104 | 48% | 0.478 | C | S | . | . | trans | -37.1 | 108.6 | 162.8 | -41.6 | 42.8 | 0 | 0 | 0 | 110.7 | F194 I252 | F194-P264 HydrophobicContact CB-CG 3.37Å; F194-P264 HydrophobicContact CD1-CG 3.69Å; F194-P264 HydrophobicContact CD2-CG 3.8Å; F194-P264 HydrophobicContact CE1-CG 4.31Å; F194-P264 HydrophobicContact CE2-CG 4.46Å; F194-P264 HydrophobicContact CG-CG 3.33Å; I252-P264 HydrophobicContact CB-CB 4.43Å; I252-P264 HydrophobicContact CD1-CB 4.28Å; I252-P264 HydrophobicContact CG1-CB 4.3Å; I252-P264 HydrophobicContact CG2-CB 3.34Å; I252-P264 HydrophobicContact CG2-CG 3.62Å | ||
| 265 | S | 53.8 | Low | 55.1 | Low | 59 Ų | 59 | 78.6 Ų | 78.6 | 41% | 0.413 | 49% | 0.486 | S | S | . | . | B | Isolated β-bridge | trans | -72.9 | 138.2 | 171.6 | 42.2 | 0 | 0 | 0 | 0 | 107.3 | S253 V263 N267 | S253-S265 PolarHBondContact O-OG 2.91Å; S253-S265 PolarHBondContact OG-OG 2.8Å; V263-S265 PolarHBondContact O-N 3.13Å; S265-N267 PolarHBondContact O-N 3.47Å; S265-N267 VanDerWaalsContact O-N 3.09Å |
| 266 | Y | 59.2 | Low | 57 | Low | 120 Ų | 120 | 76.3 Ų | 76.3 | 47% | 0.471 | 47% | 0.472 | S | S | . | . | trans | -47.4 | 120.1 | 169.4 | 169.5 | -98.9 | 0 | 0 | 0 | 109.2 | P268 T271 | Y266-P268 HydrophobicContact CD1-CB 4.42Å; Y266-P268 HydrophobicContact CE1-CB 4.13Å; Y266-P268 WeakPolarHBondContact O-CD 3.2Å; Y266-T271 HydrophobicContact CE2-CG2 3.51Å; Y266-T271 WeakPolarHBondContact OH-CB 3.23Å; Y266-T271 WeakPolarHBondContact OH-CG2 3.43Å; Y266-T271 PolarHBondContact OH-OG1 2.95Å | ||
| 267 | N | 65.4 | Low | 58.6 | Low | 26 Ų | 26 | 72.9 Ų | 72.9 | 14% | 0.139 | 46% | 0.458 | C | S | . | . | trans | -81.9 | 112.1 | 173.3 | -175.1 | -8.9 | 0 | 0 | 0 | 108.8 | G251 S265 C269 L270 | G251-N267 VanDerWaalsContact C-ND2 3.29Å; G251-N267 WeakPolarHBondContact CA-ND2 3.27Å; G251-N267 WeakPolarHBondContact O-CB 3.41Å; G251-N267 PolarHBondContact O-ND2 3.14Å; S265-N267 PolarHBondContact O-N 3.47Å; S265-N267 VanDerWaalsContact O-N 3.09Å; N267-C269 PolarHBondContact O-N 3.04Å; N267-C269 VanDerWaalsContact O-N 3.09Å; N267-C269 WeakPolarHBondContact OD1-CB 3.28Å; N267-C269 PolarHBondContact OD1-N 2.93Å; N267-C269 PolarHBondContact OD1-SG 2.91Å; N267-C269 VanDerWaalsContact OD1-SG 3.38Å; N267-L270 HydrophobicContact CB-CD1 4.13Å; N267-L270 HydrophobicContact CB-CG 4.13Å; N267-L270 WeakPolarHBondContact O-CB 3.41Å; N267-L270 PolarHBondContact O-N 3.35Å | ||
| 268 | P | 68.8 | Low | 60.2 | Low | 57 Ų | 57 | 72 Ų | 72 | 37% | 0.37 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -63.3 | -17.7 | 178.8 | 30.5 | -37.1 | 0 | 0 | 0 | 112.1 | Y266 L270 T271 N272 L275 | Y266-P268 HydrophobicContact CD1-CB 4.42Å; Y266-P268 HydrophobicContact CE1-CB 4.13Å; Y266-P268 WeakPolarHBondContact O-CD 3.2Å; P268-L270 PolarHBondContact O-N 2.83Å; P268-T271 PolarHBondContact O-N 2.85Å; P268-T271 PolarHBondContact O-OG1 2.86Å; P268-N272 WeakPolarHBondContact O-CA 3.45Å; P268-N272 WeakPolarHBondContact O-CB 3.34Å; P268-N272 PolarHBondContact O-N 2.72Å; P268-L275 HydrophobicContact CB-CD1 3.67Å; P268-L275 HydrophobicContact CG-CD1 3.85Å |
| 269 | C | 70.5 | Confident | 61.8 | Low | 42 Ų | 42 | 68.5 Ų | 68.5 | 28% | 0.284 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -64.9 | -19.2 | 171.6 | -62.2 | 0 | 0 | 0 | 0 | 114.1 | N267 T271 S276 | N267-C269 PolarHBondContact O-N 3.04Å; N267-C269 VanDerWaalsContact O-N 3.09Å; N267-C269 WeakPolarHBondContact OD1-CB 3.28Å; N267-C269 PolarHBondContact OD1-N 2.93Å; N267-C269 PolarHBondContact OD1-SG 2.91Å; N267-C269 VanDerWaalsContact OD1-SG 3.38Å; C269-T271 VanDerWaalsContact C-N 3.28Å; C269-S276 VanDerWaalsContact O-CB 3.26Å; C269-S276 WeakPolarHBondContact O-CB 3.42Å |
| 270 | L | 68.8 | Low | 63.6 | Low | 14 Ų | 14 | 64.5 Ų | 64.5 | 7% | 0.073 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -83.5 | -3.9 | 177.8 | -64.2 | 175.2 | 0 | 0 | 0 | 113.4 | H247 L248 N267 P268 Y279 | H247-L270 HydrophobicContact CB-CD2 4.01Å; L248-L270 HydrophobicContact CD1-CD1 3.68Å; N267-L270 HydrophobicContact CB-CD1 4.13Å; N267-L270 HydrophobicContact CB-CG 4.13Å; N267-L270 WeakPolarHBondContact O-CB 3.41Å; N267-L270 PolarHBondContact O-N 3.35Å; P268-L270 PolarHBondContact O-N 2.83Å; L270-Y279 HydrophobicContact CB-CE1 4.4Å; L270-Y279 HydrophobicContact CD2-CD2 4.15Å; L270-Y279 HydrophobicContact CD2-CE1 4.43Å; L270-Y279 HydrophobicContact CD2-CE2 3.74Å; L270-Y279 WeakPolarHBondContact O-CE1 3.49Å |
| 271 | T | 65.2 | Low | 65.4 | Low | 64 Ų | 64 | 64.8 Ų | 64.8 | 39% | 0.393 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.4 | -25.1 | -169.8 | 50.2 | 0 | 0 | 0 | 0 | 113.1 | Y266 P268 C269 | Y266-T271 HydrophobicContact CE2-CG2 3.51Å; Y266-T271 WeakPolarHBondContact OH-CB 3.23Å; Y266-T271 WeakPolarHBondContact OH-CG2 3.43Å; Y266-T271 PolarHBondContact OH-OG1 2.95Å; P268-T271 PolarHBondContact O-N 2.85Å; P268-T271 PolarHBondContact O-OG1 2.86Å; C269-T271 VanDerWaalsContact C-N 3.28Å |
| 272 | N | 69.9 | Low | 67 | Low | 69 Ų | 69 | 58.6 Ų | 58.6 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | trans | -97.6 | 104.3 | 174.7 | -170.9 | -15.5 | 0 | 0 | 0 | 109.5 | P268 S274 L275 S276 | P268-N272 WeakPolarHBondContact O-CA 3.45Å; P268-N272 WeakPolarHBondContact O-CB 3.34Å; P268-N272 PolarHBondContact O-N 2.72Å; N272-S274 PolarHBondContact ND2-OG 3.41Å; N272-S274 PolarHBondContact O-N 3.32Å; N272-S274 VanDerWaalsContact O-N 3.14Å; N272-S274 WeakPolarHBondContact OD1-CB 3.26Å; N272-S274 PolarHBondContact OD1-N 3.25Å; N272-S274 PolarHBondContact OD1-OG 3.43Å; N272-L275 HydrophobicContact CB-CB 4.2Å; N272-L275 HydrophobicContact CB-CD1 3.82Å; N272-L275 HydrophobicContact CB-CG 3.92Å; N272-L275 PolarHBondContact O-N 2.91Å; N272-S276 PolarHBondContact O-N 3.45Å | ||
| 273 | A | 70.4 | Confident | 68.5 | Low | 59 Ų | 59 | 58.2 Ų | 58.2 | 49% | 0.488 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -26.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L275 S276 P277 A280 | A273-L275 VanDerWaalsContact C-N 3.3Å; A273-L275 PolarHBondContact O-N 3.49Å; A273-S276 CarbonylContact O-C 3.19Å; A273-P277 WeakPolarHBondContact O-CA 3.3Å; A273-A280 HydrophobicContact CB-CB 3.51Å |
| 274 | S | 76.3 | Confident | 69.9 | Low | 91 Ų | 91 | 60 Ų | 60 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -24.6 | 176.1 | 78.2 | 0 | 0 | 0 | 0 | 112.9 | N272 | N272-S274 PolarHBondContact ND2-OG 3.41Å; N272-S274 PolarHBondContact O-N 3.32Å; N272-S274 VanDerWaalsContact O-N 3.14Å; N272-S274 WeakPolarHBondContact OD1-CB 3.26Å; N272-S274 PolarHBondContact OD1-N 3.25Å; N272-S274 PolarHBondContact OD1-OG 3.43Å |
| 275 | L | 72.6 | Confident | 71.3 | Confident | 90 Ų | 90 | 63.1 Ų | 63.1 | 47% | 0.471 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -27.9 | -178.7 | -63.8 | -179.9 | 0 | 0 | 0 | 112.6 | P268 N272 A273 | P268-L275 HydrophobicContact CB-CD1 3.67Å; P268-L275 HydrophobicContact CG-CD1 3.85Å; N272-L275 HydrophobicContact CB-CB 4.2Å; N272-L275 HydrophobicContact CB-CD1 3.82Å; N272-L275 HydrophobicContact CB-CG 3.92Å; N272-L275 PolarHBondContact O-N 2.91Å; A273-L275 VanDerWaalsContact C-N 3.3Å; A273-L275 PolarHBondContact O-N 3.49Å |
| 276 | S | 75.3 | Confident | 72.4 | Confident | 20 Ų | 20 | 61.4 Ų | 61.4 | 14% | 0.14 | 35% | 0.345 | C | S | . | . | trans | -139.8 | 83.8 | 171.3 | -171.1 | 0 | 0 | 0 | 0 | 111.4 | C269 N272 A273 I278 Y279 A280 | C269-S276 VanDerWaalsContact O-CB 3.26Å; C269-S276 WeakPolarHBondContact O-CB 3.42Å; N272-S276 PolarHBondContact O-N 3.45Å; A273-S276 CarbonylContact O-C 3.19Å; S276-I278 PolarHBondContact O-N 2.86Å; S276-Y279 PolarHBondContact O-N 3.36Å; S276-Y279 WeakPolarHBondContact OG-CB 3.44Å; S276-Y279 PolarHBondContact OG-N 2.75Å; S276-A280 PolarHBondContact O-N 3.05Å | ||
| 277 | P | 72.8 | Confident | 73 | Confident | 84 Ų | 84 | 62.1 Ų | 62.1 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.7 | -35 | 177.3 | -25.1 | 34.4 | 0 | 0 | 0 | 112.7 | A273 A280 Q281 | A273-P277 WeakPolarHBondContact O-CA 3.3Å; P277-A280 PolarHBondContact O-N 3.17Å; P277-Q281 VanDerWaalsContact O-CB 3.31Å; P277-Q281 WeakPolarHBondContact O-CB 3.29Å; P277-Q281 PolarHBondContact O-N 3.46Å |
| 278 | I | 71.9 | Confident | 73.4 | Confident | 117 Ų | 117 | 68.1 Ų | 68.1 | 60% | 0.6 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.6 | -44 | 178.4 | -61.7 | 174.9 | 0 | 0 | 0 | 110.5 | S276 T282 | S276-I278 PolarHBondContact O-N 2.86Å; I278-T282 WeakPolarHBondContact O-CB 2.95Å; I278-T282 PolarHBondContact O-N 2.88Å; I278-T282 PolarHBondContact O-OG1 3.04Å |
| 279 | Y | 72.4 | Confident | 73.8 | Confident | 16 Ų | 16 | 68.8 Ų | 68.8 | 6% | 0.063 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 176.5 | 179.7 | -94 | 0 | 0 | 0 | 111.1 | V244 H247 L270 S276 Q281 T282 V283 | V244-Y279 HydrophobicContact CB-CE2 4.38Å; V244-Y279 HydrophobicContact CG1-CE2 4.11Å; V244-Y279 HydrophobicContact CG2-CE2 4.2Å; H247-Y279 HydrophobicContact CB-CD2 3.7Å; H247-Y279 HydrophobicContact CB-CE2 4Å; H247-Y279 AromaticContact CG-CD2 3.71Å; L270-Y279 HydrophobicContact CB-CE1 4.4Å; L270-Y279 HydrophobicContact CD2-CD2 4.15Å; L270-Y279 HydrophobicContact CD2-CE1 4.43Å; L270-Y279 HydrophobicContact CD2-CE2 3.74Å; L270-Y279 WeakPolarHBondContact O-CE1 3.49Å; S276-Y279 PolarHBondContact O-N 3.36Å; S276-Y279 WeakPolarHBondContact OG-CB 3.44Å; S276-Y279 PolarHBondContact OG-N 2.75Å; Y279-Q281 PolarHBondContact O-N 2.92Å; Y279-T282 WeakPolarHBondContact O-CA 3.14Å; Y279-T282 VanDerWaalsContact O-CB 3.31Å; Y279-T282 WeakPolarHBondContact O-CB 3.33Å; Y279-T282 PolarHBondContact O-N 3.25Å; Y279-T282 VanDerWaalsContact O-N 3.1Å; Y279-V283 HydrophobicContact CD1-CG2 4.03Å; Y279-V283 HydrophobicContact CE1-CG2 3.51Å; Y279-V283 HydrophobicContact CE2-CG2 4.3Å; Y279-V283 WeakPolarHBondContact O-CG2 3.44Å; Y279-V283 PolarHBondContact O-N 3.3Å |
| 280 | A | 73.2 | Confident | 74.3 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 12% | 0.124 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A273 S276 P277 T282 V283 D284 | A273-A280 HydrophobicContact CB-CB 3.51Å; S276-A280 PolarHBondContact O-N 3.05Å; P277-A280 PolarHBondContact O-N 3.17Å; A280-T282 VanDerWaalsContact C-N 3.28Å; A280-T282 PolarHBondContact O-N 3.34Å; A280-V283 PolarHBondContact O-N 3.08Å; A280-V283 VanDerWaalsContact O-N 3.08Å; A280-D284 VanDerWaalsContact O-CG 3.28Å; A280-D284 PolarHBondContact O-N 2.98Å |
| 281 | Q | 77.6 | Confident | 74.9 | Confident | 113 Ų | 113 | 70 Ų | 70 | 53% | 0.528 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.9 | -42.7 | 174.7 | -174.6 | -174.9 | -12.9 | 0 | 0 | 111.5 | P277 Y279 V283 D284 E285 | P277-Q281 VanDerWaalsContact O-CB 3.31Å; P277-Q281 WeakPolarHBondContact O-CB 3.29Å; P277-Q281 PolarHBondContact O-N 3.46Å; Y279-Q281 PolarHBondContact O-N 2.92Å; Q281-V283 VanDerWaalsContact C-N 3.3Å; Q281-V283 PolarHBondContact O-N 2.71Å; Q281-D284 PolarHBondContact O-N 3.34Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.43Å; Q281-E285 PolarHBondContact NE2-OE1 2.93Å; Q281-E285 WeakPolarHBondContact O-CG 3.16Å; Q281-E285 PolarHBondContact O-N 2.71Å |
| 282 | T | 77 | Confident | 75.8 | Confident | 13 Ų | 13 | 73.2 Ų | 73.2 | 8% | 0.08 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 176.6 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | L240 T243 V244 I278 Y279 A280 E285 I286 | L240-T282 HydrophobicContact CB-CG2 4.47Å; L240-T282 HydrophobicContact CD2-CG2 3.64Å; T243-T282 HydrophobicContact CG2-CG2 3.83Å; V244-T282 HydrophobicContact CG2-CG2 4.07Å; I278-T282 WeakPolarHBondContact O-CB 2.95Å; I278-T282 PolarHBondContact O-N 2.88Å; I278-T282 PolarHBondContact O-OG1 3.04Å; Y279-T282 WeakPolarHBondContact O-CA 3.14Å; Y279-T282 VanDerWaalsContact O-CB 3.31Å; Y279-T282 WeakPolarHBondContact O-CB 3.33Å; Y279-T282 PolarHBondContact O-N 3.25Å; Y279-T282 VanDerWaalsContact O-N 3.1Å; A280-T282 VanDerWaalsContact C-N 3.28Å; A280-T282 PolarHBondContact O-N 3.34Å; T282-E285 PolarHBondContact O-N 3.27Å; T282-I286 WeakPolarHBondContact O-CG1 3.17Å |
| 283 | V | 74.6 | Confident | 76.4 | Confident | 43 Ų | 43 | 70 Ų | 70 | 26% | 0.261 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.6 | -38.9 | 178.4 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | Y279 A280 Q281 E285 I286 | Y279-V283 HydrophobicContact CD1-CG2 4.03Å; Y279-V283 HydrophobicContact CE1-CG2 3.51Å; Y279-V283 HydrophobicContact CE2-CG2 4.3Å; Y279-V283 WeakPolarHBondContact O-CG2 3.44Å; Y279-V283 PolarHBondContact O-N 3.3Å; A280-V283 PolarHBondContact O-N 3.08Å; A280-V283 VanDerWaalsContact O-N 3.08Å; Q281-V283 VanDerWaalsContact C-N 3.3Å; Q281-V283 PolarHBondContact O-N 2.71Å; V283-E285 PolarHBondContact O-N 3.32Å; V283-I286 VanDerWaalsContact O-CB 3.26Å; V283-I286 WeakPolarHBondContact O-CB 3.29Å; V283-I286 PolarHBondContact O-N 3.08Å; V283-I286 VanDerWaalsContact O-N 3.07Å |
| 284 | D | 79.7 | Confident | 76.9 | Confident | 131 Ų | 131 | 72.8 Ų | 72.8 | 70% | 0.701 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.6 | -27.2 | 177.1 | -68 | -24.3 | 0 | 0 | 0 | 112.3 | A280 Q281 I286 | A280-D284 VanDerWaalsContact O-CG 3.28Å; A280-D284 PolarHBondContact O-N 2.98Å; Q281-D284 PolarHBondContact O-N 3.34Å; D284-I286 VanDerWaalsContact C-N 3.27Å; D284-I286 PolarHBondContact O-N 3.45Å |
| 285 | E | 81.2 | Confident | 77.2 | Confident | 82 Ų | 82 | 76.1 Ų | 76.1 | 38% | 0.383 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -12.2 | 173.6 | -74 | 175.5 | -158.8 | 0 | 0 | 113.1 | L240 Q281 T282 V283 M287 | L240-E285 HydrophobicContact CD1-CB 4.12Å; L240-E285 HydrophobicContact CD2-CB 4.06Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.43Å; Q281-E285 PolarHBondContact NE2-OE1 2.93Å; Q281-E285 WeakPolarHBondContact O-CG 3.16Å; Q281-E285 PolarHBondContact O-N 2.71Å; T282-E285 PolarHBondContact O-N 3.27Å; V283-E285 PolarHBondContact O-N 3.32Å; E285-M287 PolarHBondContact O-N 2.89Å; E285-M287 VanDerWaalsContact O-N 3.12Å |
| 286 | I | 78.4 | Confident | 77.7 | Confident | 24 Ų | 24 | 72 Ų | 72 | 12% | 0.123 | 37% | 0.367 | C | S | . | . | trans | -72.2 | 107.7 | 178.9 | -62.8 | 176.8 | 0 | 0 | 0 | 109.8 | P204 V244 T282 V283 D284 V290 | P204-I286 HydrophobicContact CB-CG2 4.02Å; V244-I286 HydrophobicContact CG2-CD1 4.23Å; T282-I286 WeakPolarHBondContact O-CG1 3.17Å; V283-I286 VanDerWaalsContact O-CB 3.26Å; V283-I286 WeakPolarHBondContact O-CB 3.29Å; V283-I286 PolarHBondContact O-N 3.08Å; V283-I286 VanDerWaalsContact O-N 3.07Å; D284-I286 VanDerWaalsContact C-N 3.27Å; D284-I286 PolarHBondContact O-N 3.45Å; I286-V290 HydrophobicContact CG2-CG1 3.29Å | ||
| 287 | M | 71.4 | Confident | 78.3 | Confident | 135 Ų | 135 | 72.9 Ų | 72.9 | 67% | 0.665 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -87.5 | 145.9 | 171.4 | -63.8 | -68 | 170.8 | 0 | 0 | 110.8 | E285 | E285-M287 PolarHBondContact O-N 2.89Å; E285-M287 VanDerWaalsContact O-N 3.12Å |
| 288 | L | 73.4 | Confident | 78.8 | Confident | 151 Ų | 151 | 69 Ų | 69 | 79% | 0.791 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -61.5 | 144 | 171.9 | -74.3 | 168 | 0 | 0 | 0 | 110.6 | V290 | L288-V290 HydrophobicContact CD2-CG1 4.18Å; L288-V290 HydrophobicContact CD2-CG2 3.92Å |
| 289 | P | 77 | Confident | 79.5 | Confident | 72 Ų | 72 | 63.5 Ų | 63.5 | 47% | 0.468 | 32% | 0.315 | S | S | . | . | S | Bend | cis | -83.5 | 153.9 | 6.8 | 31.9 | -34.2 | 0 | 0 | 0 | 114.6 | E205 | E205-P289 HydrophobicContact CB-CB 4.49Å; E205-P289 HydrophobicContact CB-CG 3.82Å; E205-P289 HydrophobicContact CG-CG 4.44Å; E205-P289 PolarHBondContact N-O 3Å; E205-P289 WeakPolarHBondContact OE2-CG 3.36Å |
| 290 | V | 81.1 | Confident | 80.1 | Confident | 40 Ų | 40 | 64.9 Ų | 64.9 | 24% | 0.242 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 145.1 | -179.3 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | L202 I203 I286 L288 K292 | L202-V290 HydrophobicContact CD2-CG2 4.35Å; I203-V290 CarbonylContact O-C 3.54Å; I203-V290 VanDerWaalsContact O-CA 3.31Å; I203-V290 WeakPolarHBondContact O-CA 3.42Å; I203-V290 WeakPolarHBondContact O-CB 3.31Å; I286-V290 HydrophobicContact CG2-CG1 3.29Å; L288-V290 HydrophobicContact CD2-CG1 4.18Å; L288-V290 HydrophobicContact CD2-CG2 3.92Å; V290-K292 HydrophobicContact CG2-CG 4.46Å |
| 291 | Y | 80.8 | Confident | 80.8 | Confident | 42 Ų | 42 | 64.1 Ų | 64.1 | 17% | 0.165 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 128.8 | 160.8 | -77 | -83.2 | 0 | 0 | 0 | 109.4 | I203 E205 W209 | I203-Y291 PolarHBondContact N-O 3.13Å; I203-Y291 PolarHBondContact O-N 3.35Å; E205-Y291 HydrophobicContact CB-CE2 4.29Å; E205-Y291 HydrophobicContact CG-CE2 4.02Å; W209-Y291 PolarHBondContact NE1-OH 2.88Å |
| 292 | K | 83.9 | Confident | 81.1 | Confident | 130 Ų | 130 | 59.7 Ų | 59.7 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 112.5 | 171.5 | -63 | -170.4 | 177.2 | 179 | 0 | 108.3 | L202 V290 E294 | L202-K292 HydrophobicContact CD2-CB 4.43Å; L202-K292 HydrophobicContact CD2-CD 4.36Å; L202-K292 HydrophobicContact CD2-CG 3.68Å; V290-K292 HydrophobicContact CG2-CG 4.46Å; K292-E294 HydrophobicContact CB-CG 4.42Å |
| 293 | L | 83.3 | Confident | 81.4 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 104.7 | 176.3 | -57.7 | 177.8 | 0 | 0 | 0 | 108.5 | E13 P200 I201 I203 L245 L296 L330 | E13-L293 HydrophobicContact CG-CD2 4.3Å; E13-L293 WeakPolarHBondContact OE1-CA 3.41Å; E13-L293 WeakPolarHBondContact OE2-CD2 3.43Å; P200-L293 WeakPolarHBondContact CA-O 3.29Å; I201-L293 HydrophobicContact CB-CB 4.23Å; I201-L293 HydrophobicContact CG2-CD1 4.47Å; I201-L293 PolarHBondContact N-O 2.93Å; I201-L293 PolarHBondContact O-N 3.41Å; I203-L293 HydrophobicContact CD1-CD1 4.11Å; I203-L293 HydrophobicContact CD1-CG 4.46Å; I203-L293 HydrophobicContact CG1-CD1 4.46Å; I203-L293 HydrophobicContact CG2-CD1 4.22Å; L245-L293 HydrophobicContact CD2-CD1 4.18Å; L293-L296 HydrophobicContact CB-CD1 3.67Å; L293-L296 HydrophobicContact CB-CD2 3.83Å; L293-L296 HydrophobicContact CB-CG 3.82Å; L293-L296 HydrophobicContact CD1-CD1 4.22Å; L293-L296 HydrophobicContact CD1-CD2 4.03Å; L293-L296 HydrophobicContact CD2-CD2 4.45Å; L293-L296 HydrophobicContact CG-CD2 4.33Å; L293-L330 HydrophobicContact CD2-CD1 4.35Å |
| 294 | E | 80.1 | Confident | 81.9 | Confident | 118 Ų | 118 | 58 Ų | 58 | 55% | 0.551 | 29% | 0.288 | S | S | * | . | trans | -102.9 | -36.8 | -170.4 | -64.4 | -172.6 | 166.3 | 0 | 0 | 112.4 | E13 P200 K292 | E13-E294 PolarHBondContact OE1-N 3.15Å; P200-E294 HydrophobicContact CB-CG 4.05Å; P200-E294 HydrophobicContact CG-CG 4.03Å; K292-E294 HydrophobicContact CB-CG 4.42Å | ||
| 295 | K | 83.1 | Confident | 82.1 | Confident | 161 Ų | 161 | 52.1 Ų | 52.1 | 70% | 0.7 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -120.1 | 62.4 | -173.1 | -68.3 | -175.2 | -178.7 | 178.1 | 0 | 111.4 | E13 | E13-K295 PolarHBondContact OE1-N 3.19Š|
| 296 | L | 84.4 | Confident | 82 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | trans | -79.1 | 131.1 | -176.6 | -67.5 | 166.1 | 0 | 0 | 0 | 111.9 | I11 E13 Y196 I201 L248 L293 | I11-L296 HydrophobicContact CG2-CD1 4.48Å; I11-L296 HydrophobicContact CG2-CD2 3.63Å; I11-L296 HydrophobicContact CG2-CG 4.47Å; E13-L296 HydrophobicContact CG-CD2 3.69Å; E13-L296 HydrophobicContact CG-CG 4.38Å; Y196-L296 WeakPolarHBondContact CB-O 3.5Å; Y196-L296 HydrophobicContact CD1-CB 4.44Å; Y196-L296 HydrophobicContact CD1-CD1 4.38Å; Y196-L296 HydrophobicContact CG-CB 4.43Å; Y196-L296 PolarHBondContact N-O 3.39Å; I201-L296 HydrophobicContact CB-CD1 4.15Å; I201-L296 HydrophobicContact CG1-CD1 3.9Å; L248-L296 HydrophobicContact CD2-CD1 3.87Å; L293-L296 HydrophobicContact CB-CD1 3.67Å; L293-L296 HydrophobicContact CB-CD2 3.83Å; L293-L296 HydrophobicContact CB-CG 3.82Å; L293-L296 HydrophobicContact CD1-CD1 4.22Å; L293-L296 HydrophobicContact CD1-CD2 4.03Å; L293-L296 HydrophobicContact CD2-CD2 4.45Å; L293-L296 HydrophobicContact CG-CD2 4.33Å | ||
| 297 | K | 86.5 | Confident | 82 | Confident | 40 Ų | 40 | 49.3 Ų | 49.3 | 17% | 0.174 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 136.6 | 160.3 | -66.3 | -169.4 | -179.2 | -177.8 | 0 | 109.4 | I11 T12 E15 A18 F194 | I11-K297 WeakPolarHBondContact CA-O 3.47Å; T12-K297 HydrophobicContact CG2-CB 4.19Å; T12-K297 PolarHBondContact N-O 2.96Å; T12-K297 PolarHBondContact O-N 2.78Å; E15-K297 PolarHBondContact O-NZ 3.02Å; A18-K297 HydrophobicContact CB-CD 4.02Å; F194-K297 CarbonylContact O-C 3.47Å; F194-K297 VanDerWaalsContact O-CA 3.28Å; F194-K297 WeakPolarHBondContact O-CA 3.33Å |
| 298 | I | 84.9 | Confident | 82.4 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 117.9 | 179.6 | -56.7 | -179.7 | 0 | 0 | 0 | 106.3 | I9 F10 I11 F194 L248 I252 | I9-I298 HydrophobicContact CG2-CG2 4.35Å; F10-I298 CarbonylContact O-C 3.55Å; F10-I298 VanDerWaalsContact O-CA 3.29Å; F10-I298 WeakPolarHBondContact O-CA 3.43Å; I11-I298 HydrophobicContact CG1-CG1 4.25Å; I11-I298 HydrophobicContact CG1-CG2 4.49Å; F194-I298 WeakPolarHBondContact CD2-O 3.42Å; F194-I298 PolarHBondContact N-O 3.29Å; F194-I298 PolarHBondContact O-N 3.02Å; L248-I298 HydrophobicContact CD1-CD1 4.3Å; L248-I298 HydrophobicContact CD2-CD1 4.23Å; L248-I298 HydrophobicContact CG-CD1 4.14Å; I252-I298 HydrophobicContact CD1-CB 4.48Å; I252-I298 HydrophobicContact CD1-CD1 3.03Å; I252-I298 HydrophobicContact CD1-CG1 4.27Å; I252-I298 HydrophobicContact CD1-CG2 4.14Å; I252-I298 HydrophobicContact CG1-CD1 4.49Å |
| 299 | I | 86.6 | Confident | 82.9 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 121.4 | -175.6 | -48.8 | 162.7 | 0 | 0 | 0 | 107 | F10 T12 A18 V21 C191 E192 V193 | F10-I299 HydrophobicContact CB-CB 3.95Å; F10-I299 HydrophobicContact CB-CD1 4.17Å; F10-I299 HydrophobicContact CB-CG1 4.37Å; F10-I299 HydrophobicContact CD2-CB 4.16Å; F10-I299 HydrophobicContact CD2-CG2 4.37Å; F10-I299 HydrophobicContact CG-CB 4.36Å; F10-I299 PolarHBondContact N-O 3.26Å; F10-I299 PolarHBondContact O-N 3.22Å; T12-I299 HydrophobicContact CG2-CD1 4.42Å; A18-I299 HydrophobicContact CB-CD1 4.15Å; V21-I299 HydrophobicContact CB-CD1 4.26Å; V21-I299 HydrophobicContact CG1-CG2 3.98Å; V21-I299 HydrophobicContact CG2-CD1 4.22Å; C191-I299 WeakPolarHBondContact SG-CG2 3.17Å; E192-I299 CarbonylContact O-C 3.51Å; E192-I299 WeakPolarHBondContact O-CA 3.39Å; V193-I299 HydrophobicContact CG1-CG1 4.33Å; V193-I299 HydrophobicContact CG2-CG1 4.21Å; V193-I299 HydrophobicContact CG2-CG2 4.07Å |
| 300 | Y | 84.7 | Confident | 83.3 | Confident | 45 Ų | 45 | 36.1 Ų | 36.1 | 18% | 0.176 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 111.8 | 177.5 | -171.7 | -103.3 | 0 | 0 | 0 | 108.9 | N7 I9 C191 E192 F254 | N7-Y300 HydrophobicContact CB-CE2 3.89Å; N7-Y300 PolarHBondContact ND2-OH 3.2Å; N7-Y300 VanDerWaalsContact ND2-OH 3.15Å; N7-Y300 PolarHBondContact OD1-OH 2.92Å; I9-Y300 HydrophobicContact CD1-CD2 4.34Å; I9-Y300 HydrophobicContact CD1-CE2 4.3Å; I9-Y300 HydrophobicContact CG1-CD2 3.94Å; I9-Y300 HydrophobicContact CG1-CE2 4.15Å; C191-Y300 WeakPolarHBondContact CA-O 3.47Å; E192-Y300 PolarHBondContact N-O 3.17Å; E192-Y300 PolarHBondContact O-N 3.24Å; F254-Y300 HydrophobicContact CE1-CD2 4.45Å; F254-Y300 HydrophobicContact CE1-CG 4.34Å; F254-Y300 HydrophobicContact CE2-CD2 4.23Å; F254-Y300 HydrophobicContact CE2-CE2 4.42Å; F254-Y300 AromaticContact CZ-CD2 3.93Å; F254-Y300 HydrophobicContact CZ-CD2 3.93Å; F254-Y300 HydrophobicContact CZ-CG 4.24Å |
| 301 | L | 86.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 117.9 | 172.4 | 173.6 | 58.9 | 0 | 0 | 0 | 108.2 | N7 V8 F10 V25 F28 Q190 F305 L313 | N7-L301 CarbonylContact C-O 3.56Å; N7-L301 WeakPolarHBondContact CA-O 3.21Å; V8-L301 HydrophobicContact CB-CB 4.19Å; V8-L301 HydrophobicContact CB-CD2 4.22Å; V8-L301 HydrophobicContact CG2-CD2 4.33Å; V8-L301 PolarHBondContact N-O 3.16Å; V8-L301 WeakPolarHBondContact O-CB 3.41Å; V8-L301 PolarHBondContact O-N 2.86Å; F10-L301 HydrophobicContact CE2-CB 4.39Å; V25-L301 HydrophobicContact CB-CD1 4.06Å; V25-L301 HydrophobicContact CG1-CD1 3.37Å; V25-L301 HydrophobicContact CG2-CD1 3.44Å; V25-L301 VanDerWaalsContact CG2-CD1 3.44Å; V25-L301 HydrophobicContact CG2-CD2 3.78Å; V25-L301 HydrophobicContact CG2-CG 4.17Å; F28-L301 HydrophobicContact CE2-CD2 4.22Å; Q190-L301 WeakPolarHBondContact O-CA 3.19Å; Q190-L301 VanDerWaalsContact O-CD1 3.27Å; Q190-L301 WeakPolarHBondContact O-CD1 3.41Å; L301-F305 HydrophobicContact CD1-CE1 4.14Å; L301-F305 HydrophobicContact CD1-CE2 4.18Å; L301-F305 HydrophobicContact CD1-CZ 3.48Å; L301-F305 VanDerWaalsContact CD1-CZ 3.48Å; L301-F305 HydrophobicContact CD2-CE1 4.3Å; L301-F305 HydrophobicContact CD2-CE2 4.13Å; L301-F305 HydrophobicContact CD2-CZ 3.94Å; L301-F305 HydrophobicContact CG-CE1 4.31Å; L301-F305 HydrophobicContact CG-CE2 3.72Å; L301-F305 HydrophobicContact CG-CZ 3.52Å; L301-L313 HydrophobicContact CD2-CD1 3.81Å |
| 302 | S | 84.1 | Confident | 83.7 | Confident | 19 Ų | 19 | 40.4 Ų | 40.4 | 13% | 0.133 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 147.2 | 174.4 | 66.9 | 0 | 0 | 0 | 0 | 111.7 | N7 P189 Q190 F305 | N7-S302 WeakPolarHBondContact OD1-CB 3.48Å; P189-S302 WeakPolarHBondContact CA-O 3.37Å; Q190-S302 PolarHBondContact N-O 2.99Å; Q190-S302 PolarHBondContact O-N 3.26Å; S302-F305 WeakPolarHBondContact O-CZ 3.44Å |
| 303 | G | 84.7 | Confident | 83.9 | Confident | 12 Ų | 12 | 34.3 Ų | 34.3 | 12% | 0.124 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.4 | -150.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E6 | E6-G303 CarbonylContact C-O 3.49Å; E6-G303 WeakPolarHBondContact CA-O 3.46Å; E6-G303 CarbonylContact O-C 3.58Å; E6-G303 PolarHBondContact O-N 3.14Å |
| 304 | L | 85.4 | Confident | 84.2 | Confident | 9 Ų | 9 | 34.3 Ų | 34.3 | 5% | 0.047 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 112.3 | 167.7 | -77.8 | -179.1 | 0 | 0 | 0 | 108.4 | L4 L5 S31 I33 F154 I187 L338 | L4-L304 HydrophobicContact CD2-CB 4.29Å; L4-L304 HydrophobicContact CD2-CD2 4.35Å; L5-L304 WeakPolarHBondContact O-CA 3.14Å; S31-L304 PolarHBondContact OG-O 2.57Å; I33-L304 HydrophobicContact CD1-CD1 3.63Å; I33-L304 HydrophobicContact CG1-CD1 3.81Å; F154-L304 HydrophobicContact CD2-CB 4.18Å; F154-L304 HydrophobicContact CD2-CD1 4.06Å; F154-L304 HydrophobicContact CE2-CB 4.23Å; I187-L304 HydrophobicContact CD1-CD1 3.89Å; I187-L304 HydrophobicContact CD1-CG 4.22Å; L304-L338 HydrophobicContact CD2-CD1 4.1Å; L304-L338 HydrophobicContact CD2-CD2 4.02Å |
| 305 | F | 82.3 | Confident | 84.6 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.035 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 146.1 | -174.6 | -45.7 | -78.5 | 0 | 0 | 0 | 110.5 | L4 L5 F28 P189 L301 S302 C309 | L4-F305 WeakPolarHBondContact CA-O 3.47Å; L5-F305 HydrophobicContact CB-CB 4.25Å; L5-F305 HydrophobicContact CB-CD2 4.46Å; L5-F305 PolarHBondContact N-O 3.48Å; L5-F305 PolarHBondContact O-N 2.83Å; F28-F305 AromaticContact CD2-CD1 3.87Å; F28-F305 HydrophobicContact CD2-CD1 3.87Å; F28-F305 AromaticContact CD2-CE1 3.73Å; F28-F305 HydrophobicContact CD2-CE1 3.73Å; F28-F305 HydrophobicContact CE2-CD1 4.18Å; F28-F305 HydrophobicContact CE2-CE1 4.3Å; P189-F305 HydrophobicContact CB-CE1 3.77Å; P189-F305 HydrophobicContact CB-CZ 4.02Å; P189-F305 HydrophobicContact CG-CE1 3.85Å; P189-F305 HydrophobicContact CG-CZ 4.47Å; L301-F305 HydrophobicContact CD1-CE1 4.14Å; L301-F305 HydrophobicContact CD1-CE2 4.18Å; L301-F305 HydrophobicContact CD1-CZ 3.48Å; L301-F305 VanDerWaalsContact CD1-CZ 3.48Å; L301-F305 HydrophobicContact CD2-CE1 4.3Å; L301-F305 HydrophobicContact CD2-CE2 4.13Å; L301-F305 HydrophobicContact CD2-CZ 3.94Å; L301-F305 HydrophobicContact CG-CE1 4.31Å; L301-F305 HydrophobicContact CG-CE2 3.72Å; L301-F305 HydrophobicContact CG-CZ 3.52Å; S302-F305 WeakPolarHBondContact O-CZ 3.44Å; F305-C309 HydrophobicContact CB-CB 4.12Å |
| 306 | L | 80.2 | Confident | 84.9 | Confident | 17 Ų | 17 | 30 Ų | 30 | 9% | 0.089 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 153.7 | 164.5 | -65.7 | 174.4 | 0 | 0 | 0 | 109 | V2 T58 L60 F154 D156 C308 C309 | V2-L306 HydrophobicContact CG1-CD2 3.76Å; T58-L306 HydrophobicContact CG2-CD2 4.03Å; L60-L306 HydrophobicContact CD1-CD2 4.12Å; F154-L306 HydrophobicContact CE1-CD2 3.78Å; F154-L306 HydrophobicContact CE1-CG 4.19Å; F154-L306 HydrophobicContact CZ-CD2 4.16Å; F154-L306 HydrophobicContact CZ-CG 4.13Å; D156-L306 WeakPolarHBondContact OD2-CD1 3.38Å; L306-C308 PolarHBondContact O-N 3.29Å; L306-C309 WeakPolarHBondContact O-CB 3.37Å; L306-C309 PolarHBondContact O-N 3.44Å |
| 307 | D | 78.6 | Confident | 85 | Confident | 30 Ų | 30 | 30.1 Ų | 30.1 | 16% | 0.16 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -52.2 | -32 | 177.3 | -65.2 | -37.4 | 0 | 0 | 0 | 113.4 | V2 R3 C309 Y310 D311 | V2-D307 WeakPolarHBondContact CA-OD2 3.19Å; R3-D307 PolarHBondContact N-OD2 3.29Å; D307-C309 VanDerWaalsContact C-N 3.26Å; D307-C309 PolarHBondContact O-N 3.22Å; D307-Y310 WeakPolarHBondContact O-CA 3.49Å; D307-Y310 VanDerWaalsContact O-CB 3.31Å; D307-Y310 WeakPolarHBondContact O-CB 3.49Å; D307-Y310 PolarHBondContact O-N 3.35Å; D307-D311 PolarHBondContact O-N 2.79Å; D307-D311 VanDerWaalsContact O-N 3.13Å |
| 308 | C | 80 | Confident | 85.1 | Confident | 62 Ų | 62 | 30.9 Ų | 30.9 | 42% | 0.419 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.5 | -29.8 | 177.7 | 59.7 | 0 | 0 | 0 | 0 | 113.5 | L306 Y310 D311 E312 | L306-C308 PolarHBondContact O-N 3.29Å; C308-Y310 VanDerWaalsContact C-N 3.26Å; C308-Y310 PolarHBondContact O-N 2.98Å; C308-D311 PolarHBondContact O-N 2.83Å; C308-E312 WeakPolarHBondContact O-CG 3.25Å; C308-E312 PolarHBondContact O-N 3.23Å |
| 309 | C | 82.7 | Confident | 85.2 | Confident | 17 Ų | 17 | 33.4 Ų | 33.4 | 12% | 0.115 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.1 | -32.3 | 174.1 | -60.4 | 0 | 0 | 0 | 0 | 111 | F28 F305 L306 D307 L313 | F28-C309 HydrophobicContact CE1-CB 4.31Å; F28-C309 HydrophobicContact CE2-CB 4.04Å; F28-C309 HydrophobicContact CZ-CB 3.8Å; F305-C309 HydrophobicContact CB-CB 4.12Å; L306-C309 WeakPolarHBondContact O-CB 3.37Å; L306-C309 PolarHBondContact O-N 3.44Å; D307-C309 VanDerWaalsContact C-N 3.26Å; D307-C309 PolarHBondContact O-N 3.22Å; C309-L313 WeakPolarHBondContact O-CG 3.42Å; C309-L313 PolarHBondContact O-N 3.06Å; C309-L313 VanDerWaalsContact O-N 3.09Å |
| 310 | Y | 84.8 | Confident | 85.2 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.9 | -42.1 | 173.2 | -176.8 | -80.7 | 0 | 0 | 0 | 111.2 | L5 V8 D307 C308 E312 L313 E314 M333 R335 G356 T357 | L5-Y310 HydrophobicContact CD1-CD2 4.24Å; L5-Y310 HydrophobicContact CD1-CG 4.37Å; V8-Y310 HydrophobicContact CG1-CD2 4.04Å; V8-Y310 HydrophobicContact CG1-CE2 3.93Å; V8-Y310 HydrophobicContact CG2-CD2 4.09Å; D307-Y310 WeakPolarHBondContact O-CA 3.49Å; D307-Y310 VanDerWaalsContact O-CB 3.31Å; D307-Y310 WeakPolarHBondContact O-CB 3.49Å; D307-Y310 PolarHBondContact O-N 3.35Å; C308-Y310 VanDerWaalsContact C-N 3.26Å; C308-Y310 PolarHBondContact O-N 2.98Å; Y310-E312 VanDerWaalsContact C-N 3.31Å; Y310-E312 PolarHBondContact O-N 3.07Å; Y310-L313 WeakPolarHBondContact O-CB 3.36Å; Y310-L313 PolarHBondContact O-N 3.15Å; Y310-L313 VanDerWaalsContact O-N 3.15Å; Y310-E314 HydrophobicContact CD1-CG 3.72Å; Y310-E314 HydrophobicContact CE1-CG 3.4Å; Y310-E314 WeakPolarHBondContact CE1-OE1 3.31Å; Y310-E314 PolarHBondContact O-N 3.42Å; Y310-M333 HydrophobicContact CD2-CE 4.29Å; Y310-M333 HydrophobicContact CE1-CE 4.39Å; Y310-M333 HydrophobicContact CE2-CB 4.31Å; Y310-M333 HydrophobicContact CE2-CE 3.81Å; Y310-M333 WeakPolarHBondContact OH-CB 3.37Å; Y310-R335 VanDerWaalsContact CD1-CZ 3.43Å; Y310-R335 HydrophobicContact CD2-CG 3.44Å; Y310-R335 VanDerWaalsContact CD2-CG 3.44Å; Y310-R335 HydrophobicContact CE1-CG 4.3Å; Y310-R335 VanDerWaalsContact CE1-CZ 3.46Å; Y310-R335 HydrophobicContact CE2-CB 4.49Å; Y310-R335 HydrophobicContact CE2-CG 3.2Å; Y310-R335 HydrophobicContact CG-CG 4.1Å; Y310-R335 VanDerWaalsContact CG-NE 3.3Å; Y310-R335 VanDerWaalsContact CZ-NE 3.32Å; Y310-G356 WeakPolarHBondContact OH-CA 3.35Å; Y310-T357 WeakPolarHBondContact OH-CB 3.28Å; Y310-T357 PolarHBondContact OH-N 3.09Å; Y310-T357 PolarHBondContact OH-OG1 3.29Å |
| 311 | D | 85.2 | Confident | 85.2 | Confident | 65 Ų | 65 | 31.8 Ų | 31.8 | 35% | 0.348 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.6 | -40.2 | 177.5 | -61.1 | -28.1 | 0 | 0 | 0 | 111.1 | D307 C308 L313 E314 D315 R335 | D307-D311 PolarHBondContact O-N 2.79Å; D307-D311 VanDerWaalsContact O-N 3.13Å; C308-D311 PolarHBondContact O-N 2.83Å; D311-L313 VanDerWaalsContact C-N 3.33Å; D311-L313 PolarHBondContact O-N 3.47Å; D311-E314 WeakPolarHBondContact O-CB 3.35Å; D311-E314 PolarHBondContact O-N 2.88Å; D311-D315 PolarHBondContact O-N 2.93Å; D311-R335 IonicContact OD1-NH2 3.62Å; D311-R335 PolarHBondContact OD1-NH2 2.86Å |
| 312 | E | 86.8 | Confident | 85.1 | Confident | 107 Ų | 107 | 36 Ų | 36 | 50% | 0.5 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.1 | -40.4 | 172.1 | -73.5 | 170.1 | -170.3 | 0 | 0 | 112.4 | C308 Y310 D315 K316 | C308-E312 WeakPolarHBondContact O-CG 3.25Å; C308-E312 PolarHBondContact O-N 3.23Å; Y310-E312 VanDerWaalsContact C-N 3.31Å; Y310-E312 PolarHBondContact O-N 3.07Å; E312-D315 PolarHBondContact O-N 2.88Å; E312-K316 WeakPolarHBondContact O-CB 3.43Å; E312-K316 PolarHBondContact O-N 3.13Å |
| 313 | L | 88 | Confident | 85 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.5 | -44.1 | 174.1 | -77.1 | 160.1 | 0 | 0 | 0 | 111.8 | F10 V24 F28 L301 C309 Y310 D311 D315 K316 I317 M333 | F10-L313 HydrophobicContact CZ-CB 4.45Å; F10-L313 HydrophobicContact CZ-CD1 4.12Å; F10-L313 HydrophobicContact CZ-CD2 4.13Å; F10-L313 HydrophobicContact CZ-CG 4.46Å; V24-L313 HydrophobicContact CB-CD2 4.19Å; V24-L313 HydrophobicContact CG1-CD2 3.69Å; V24-L313 HydrophobicContact CG1-CG 4.35Å; F28-L313 HydrophobicContact CE2-CD1 3.77Å; F28-L313 HydrophobicContact CE2-CG 4.19Å; F28-L313 HydrophobicContact CZ-CD1 3.81Å; F28-L313 HydrophobicContact CZ-CD2 4.27Å; F28-L313 HydrophobicContact CZ-CG 3.76Å; L301-L313 HydrophobicContact CD2-CD1 3.81Å; C309-L313 WeakPolarHBondContact O-CG 3.42Å; C309-L313 PolarHBondContact O-N 3.06Å; C309-L313 VanDerWaalsContact O-N 3.09Å; Y310-L313 WeakPolarHBondContact O-CB 3.36Å; Y310-L313 PolarHBondContact O-N 3.15Å; Y310-L313 VanDerWaalsContact O-N 3.15Å; D311-L313 VanDerWaalsContact C-N 3.33Å; D311-L313 PolarHBondContact O-N 3.47Å; L313-D315 VanDerWaalsContact C-N 3.31Å; L313-D315 PolarHBondContact O-N 3.37Å; L313-K316 PolarHBondContact O-N 3.07Å; L313-I317 WeakPolarHBondContact O-CB 3.42Å; L313-I317 VanDerWaalsContact O-CG1 3.32Å; L313-I317 WeakPolarHBondContact O-CG1 3.41Å; L313-I317 PolarHBondContact O-N 2.77Å; L313-M333 HydrophobicContact CB-CE 3.95Å |
| 314 | E | 88.9 | Confident | 84.8 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.6 | -47.6 | 175.7 | -74.1 | -165.5 | 142.2 | 0 | 0 | 111.3 | Y310 D311 K316 I317 K318 M333 T357 F359 K376 R378 | Y310-E314 HydrophobicContact CD1-CG 3.72Å; Y310-E314 HydrophobicContact CE1-CG 3.4Å; Y310-E314 WeakPolarHBondContact CE1-OE1 3.31Å; Y310-E314 PolarHBondContact O-N 3.42Å; D311-E314 WeakPolarHBondContact O-CB 3.35Å; D311-E314 PolarHBondContact O-N 2.88Å; E314-K316 VanDerWaalsContact C-N 3.33Å; E314-K316 PolarHBondContact O-N 3.11Å; E314-I317 PolarHBondContact O-N 3.36Å; E314-K318 WeakPolarHBondContact O-CB 3.43Å; E314-K318 PolarHBondContact O-N 3.04Å; E314-M333 HydrophobicContact CG-CE 4.24Å; E314-T357 WeakPolarHBondContact OE1-CB 3.39Å; E314-T357 VanDerWaalsContact OE1-CG2 3.3Å; E314-T357 WeakPolarHBondContact OE1-CG2 3.34Å; E314-T357 PolarHBondContact OE1-OG1 2.9Å; E314-F359 HydrophobicContact CB-CZ 4.2Å; E314-F359 HydrophobicContact CG-CZ 4.49Å; E314-K376 VanDerWaalsContact CD-NZ 3.35Å; E314-K376 WeakPolarHBondContact OE1-CE 3.14Å; E314-K376 IonicContact OE1-NZ 2.82Å; E314-K376 WeakPolarHBondContact OE2-CE 3.49Å; E314-K376 IonicContact OE2-NZ 3.44Å; E314-K376 PolarHBondContact OE2-NZ 3.3Å; E314-R378 IonicContact OE1-NE 2.75Å; E314-R378 IonicContact OE2-CZ 3.89Å; E314-R378 IonicContact OE2-NE 3.24Å; E314-R378 IonicContact OE2-NH2 2.88Å; E314-R378 PolarHBondContact OE2-NH2 3.48Å |
| 315 | D | 88.8 | Confident | 84.4 | Confident | 98 Ų | 98 | 47.7 Ų | 47.7 | 52% | 0.524 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | -178.7 | -76.6 | -19.3 | 0 | 0 | 0 | 111 | D311 E312 L313 K318 S319 | D311-D315 PolarHBondContact O-N 2.93Å; E312-D315 PolarHBondContact O-N 2.88Å; L313-D315 VanDerWaalsContact C-N 3.31Å; L313-D315 PolarHBondContact O-N 3.37Å; D315-K318 WeakPolarHBondContact O-CB 3.49Å; D315-K318 PolarHBondContact O-N 3.43Å; D315-S319 PolarHBondContact O-N 2.88Å; D315-S319 PolarHBondContact O-OG 3.06Å |
| 316 | K | 88.2 | Confident | 84.1 | Confident | 91 Ų | 91 | 50 Ų | 50 | 40% | 0.396 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.9 | -41.4 | 177.9 | -170.4 | 59 | 171.1 | 175.3 | 0 | 112.9 | V24 E312 L313 E314 K318 S319 M320 | V24-K316 HydrophobicContact CG2-CB 4.28Å; V24-K316 HydrophobicContact CG2-CG 3.65Å; E312-K316 WeakPolarHBondContact O-CB 3.43Å; E312-K316 PolarHBondContact O-N 3.13Å; L313-K316 PolarHBondContact O-N 3.07Å; E314-K316 VanDerWaalsContact C-N 3.33Å; E314-K316 PolarHBondContact O-N 3.11Å; K316-K318 VanDerWaalsContact C-N 3.33Å; K316-S319 PolarHBondContact O-N 3.24Å; K316-M320 WeakPolarHBondContact O-CB 3.15Å; K316-M320 PolarHBondContact O-N 3.36Å |
| 317 | I | 88 | Confident | 83.9 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 174.1 | -70 | -61.4 | 0 | 0 | 0 | 110.2 | F10 V21 L313 E314 S319 M320 L321 V331 M333 F359 | F10-I317 HydrophobicContact CE1-CD1 4.47Å; F10-I317 HydrophobicContact CE1-CG1 4.24Å; V21-I317 HydrophobicContact CG2-CD1 3.75Å; L313-I317 WeakPolarHBondContact O-CB 3.42Å; L313-I317 VanDerWaalsContact O-CG1 3.32Å; L313-I317 WeakPolarHBondContact O-CG1 3.41Å; L313-I317 PolarHBondContact O-N 2.77Å; E314-I317 PolarHBondContact O-N 3.36Å; I317-S319 PolarHBondContact O-N 3.33Å; I317-M320 HydrophobicContact CD1-CE 4Å; I317-M320 HydrophobicContact CG2-CE 4.47Å; I317-M320 PolarHBondContact O-N 2.98Å; I317-L321 HydrophobicContact CG2-CD1 3.91Å; I317-L321 HydrophobicContact CG2-CG 4.37Å; I317-L321 WeakPolarHBondContact O-CG 3.41Å; I317-L321 PolarHBondContact O-N 3.34Å; I317-V331 HydrophobicContact CG2-CB 4.12Å; I317-V331 HydrophobicContact CG2-CG1 3.89Å; I317-V331 HydrophobicContact CG2-CG2 4.19Å; I317-M333 HydrophobicContact CB-SD 4.39Å; I317-M333 HydrophobicContact CG1-SD 3.98Å; I317-F359 HydrophobicContact CB-CE2 4.4Å; I317-F359 HydrophobicContact CG2-CD2 3.75Å; I317-F359 HydrophobicContact CG2-CE2 3.88Å; I317-F359 HydrophobicContact CG2-CG 4.2Å; I317-F359 HydrophobicContact CG2-CZ 4.42Å |
| 318 | K | 87.8 | Confident | 84 | Confident | 56 Ų | 56 | 52.4 Ų | 52.4 | 24% | 0.243 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.2 | -51.4 | 176 | -175.9 | -177 | 175.4 | -179.1 | 0 | 111.3 | C223 E314 D315 K316 M320 L321 V322 F359 L374 | C223-K318 PolarHBondContact SG-NZ 2.82Å; C223-K318 VanDerWaalsContact SG-NZ 3.37Å; E314-K318 WeakPolarHBondContact O-CB 3.43Å; E314-K318 PolarHBondContact O-N 3.04Å; D315-K318 WeakPolarHBondContact O-CB 3.49Å; D315-K318 PolarHBondContact O-N 3.43Å; K316-K318 VanDerWaalsContact C-N 3.33Å; K318-M320 VanDerWaalsContact C-N 3.31Å; K318-M320 PolarHBondContact O-N 3.39Å; K318-L321 PolarHBondContact O-N 2.68Å; K318-V322 WeakPolarHBondContact O-CG2 3.4Å; K318-V322 PolarHBondContact O-N 2.88Å; K318-V322 VanDerWaalsContact O-N 3.11Å; K318-F359 HydrophobicContact CB-CE1 4.02Å; K318-L374 HydrophobicContact CG-CD2 3.78Å |
| 319 | S | 87.5 | Confident | 84.2 | Confident | 56 Ų | 56 | 50.4 Ų | 50.4 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.1 | -44.3 | 177.9 | -68.6 | 0 | 0 | 0 | 0 | 112 | D315 K316 I317 L321 V322 E323 | D315-S319 PolarHBondContact O-N 2.88Å; D315-S319 PolarHBondContact O-OG 3.06Å; K316-S319 PolarHBondContact O-N 3.24Å; I317-S319 PolarHBondContact O-N 3.33Å; S319-L321 PolarHBondContact O-N 2.85Å; S319-V322 PolarHBondContact O-N 2.82Å; S319-E323 WeakPolarHBondContact O-CB 3.32Å; S319-E323 VanDerWaalsContact O-CG 3.29Å; S319-E323 WeakPolarHBondContact O-CG 3.35Å; S319-E323 PolarHBondContact O-N 3.18Å |
| 320 | M | 86.1 | Confident | 84.5 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.039 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 178.6 | 175.2 | -162.4 | 74.5 | 0 | 0 | 112.5 | A17 N20 K316 I317 K318 V322 E323 S324 | A17-M320 WeakPolarHBondContact CA-SD 3.49Å; A17-M320 HydrophobicContact CB-CE 3.71Å; A17-M320 HydrophobicContact CB-SD 3.83Å; N20-M320 HydrophobicContact CB-SD 4.08Å; N20-M320 WeakPolarHBondContact ND2-CG 3.26Å; N20-M320 PolarHBondContact ND2-SD 2.78Å; K316-M320 WeakPolarHBondContact O-CB 3.15Å; K316-M320 PolarHBondContact O-N 3.36Å; I317-M320 HydrophobicContact CD1-CE 4Å; I317-M320 HydrophobicContact CG2-CE 4.47Å; I317-M320 PolarHBondContact O-N 2.98Å; K318-M320 VanDerWaalsContact C-N 3.31Å; K318-M320 PolarHBondContact O-N 3.39Å; M320-V322 VanDerWaalsContact C-N 3.3Å; M320-V322 PolarHBondContact O-N 3.24Å; M320-E323 PolarHBondContact O-N 3.14Å; M320-S324 PolarHBondContact O-N 2.8Å |
| 321 | L | 85.2 | Confident | 84.8 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.3 | -33.5 | 179.6 | -67.9 | 172.6 | 0 | 0 | 0 | 112.2 | I317 K318 S319 S324 E329 V331 F359 T361 L374 | I317-L321 HydrophobicContact CG2-CD1 3.91Å; I317-L321 HydrophobicContact CG2-CG 4.37Å; I317-L321 WeakPolarHBondContact O-CG 3.41Å; I317-L321 PolarHBondContact O-N 3.34Å; K318-L321 PolarHBondContact O-N 2.68Å; S319-L321 PolarHBondContact O-N 2.85Å; L321-S324 PolarHBondContact O-OG 3.15Å; L321-S324 VanDerWaalsContact O-OG 3.11Å; L321-E329 HydrophobicContact CD2-CB 4.06Å; L321-E329 WeakPolarHBondContact CD2-OE2 3.39Å; L321-V331 HydrophobicContact CD1-CG2 3.98Å; L321-V331 HydrophobicContact CD2-CG2 3.92Å; L321-V331 HydrophobicContact CG-CG2 4.37Å; L321-F359 HydrophobicContact CD1-CB 3.42Å; L321-F359 VanDerWaalsContact CD1-CB 3.42Å; L321-F359 HydrophobicContact CD1-CD1 4.27Å; L321-F359 HydrophobicContact CD1-CG 3.94Å; L321-T361 HydrophobicContact CB-CG2 4.24Å; L321-T361 HydrophobicContact CD2-CG2 4.48Å; L321-L374 HydrophobicContact CB-CD1 4.2Å; L321-L374 HydrophobicContact CB-CD2 4.4Å; L321-L374 HydrophobicContact CD1-CD1 3.87Å |
| 322 | V | 83.7 | Confident | 85 | Confident | 90 Ų | 90 | 46.9 Ų | 46.9 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.7 | -39.5 | 173.9 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | K318 S319 M320 L374 | K318-V322 WeakPolarHBondContact O-CG2 3.4Å; K318-V322 PolarHBondContact O-N 2.88Å; K318-V322 VanDerWaalsContact O-N 3.11Å; S319-V322 PolarHBondContact O-N 2.82Å; M320-V322 VanDerWaalsContact C-N 3.3Å; M320-V322 PolarHBondContact O-N 3.24Å; V322-L374 HydrophobicContact CG2-CD2 3.83Å |
| 323 | E | 82.7 | Confident | 85.2 | Confident | 146 Ų | 146 | 41.8 Ų | 41.8 | 68% | 0.682 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -72.5 | -33.5 | 179.4 | -73.3 | 169.3 | -162.8 | 0 | 0 | 113.3 | S319 M320 Q325 | S319-E323 WeakPolarHBondContact O-CB 3.32Å; S319-E323 VanDerWaalsContact O-CG 3.29Å; S319-E323 WeakPolarHBondContact O-CG 3.35Å; S319-E323 PolarHBondContact O-N 3.18Å; M320-E323 PolarHBondContact O-N 3.14Å; E323-Q325 PolarHBondContact O-N 2.9Å |
| 324 | S | 79.8 | Confident | 85.2 | Confident | 34 Ų | 34 | 42.7 Ų | 42.7 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -31.5 | -178.5 | 75.4 | 0 | 0 | 0 | 0 | 112.3 | H14 M320 L321 C326 E329 | H14-S324 VanDerWaalsContact NE2-CB 3.28Å; H14-S324 WeakPolarHBondContact NE2-CB 3.38Å; M320-S324 PolarHBondContact O-N 2.8Å; L321-S324 PolarHBondContact O-OG 3.15Å; L321-S324 VanDerWaalsContact O-OG 3.11Å; S324-C326 PolarHBondContact O-N 3.29Å; S324-C326 PolarHBondContact OG-N 3.25Å; S324-E329 PolarHBondContact OG-OE2 2.86Å |
| 325 | Q | 76.5 | Confident | 85 | Confident | 105 Ų | 105 | 44.2 Ų | 44.2 | 49% | 0.491 | 24% | 0.24 | S | C | . | . | trans | 51.9 | 17.2 | -169.2 | -55.5 | -170.2 | -3.1 | 0 | 0 | 113.8 | E323 | E323-Q325 PolarHBondContact O-N 2.9Š| ||
| 326 | C | 75.5 | Confident | 84.5 | Confident | 56 Ų | 56 | 41.3 Ų | 41.3 | 38% | 0.378 | 23% | 0.227 | S | C | . | . | trans | -83.1 | 127.7 | 179.1 | -74.2 | 0 | 0 | 0 | 0 | 108.8 | S324 E329 T361 P372 | S324-C326 PolarHBondContact O-N 3.29Å; S324-C326 PolarHBondContact OG-N 3.25Å; C326-E329 HydrophobicContact CB-CG 3.78Å; C326-E329 WeakPolarHBondContact CB-OE1 3.39Å; C326-T361 WeakPolarHBondContact O-CB 3.41Å; C326-T361 PolarHBondContact O-OG1 3.37Å; C326-P372 WeakPolarHBondContact O-CG 3.32Å | ||
| 327 | G | 77.7 | Confident | 83.8 | Confident | 29 Ų | 29 | 39.8 Ų | 39.8 | 30% | 0.299 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -87.8 | 160.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | E329 G362 | G327-E329 VanDerWaalsContact C-N 3.27Å; G327-E329 PolarHBondContact O-N 3.38Å; G327-G362 CarbonylContact C-O 3.49Å; G327-G362 WeakPolarHBondContact CA-O 3.39Å |
| 328 | N | 79.6 | Confident | 83.1 | Confident | 68 Ų | 68 | 41.2 Ų | 41.2 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 59.4 | 30.9 | -177.7 | -58.3 | -39.2 | 0 | 0 | 0 | 114.5 | T361 G362 R363 | N328-T361 WeakPolarHBondContact CA-O 3.44Å; N328-T361 PolarHBondContact N-O 3.06Å; N328-T361 PolarHBondContact N-OG1 3.48Å; N328-G362 PolarHBondContact N-O 3.06Å; N328-G362 VanDerWaalsContact N-O 3.16Å; N328-R363 WeakPolarHBondContact OD1-CG 3.43Å |
| 329 | E | 84.9 | Confident | 81.7 | Confident | 21 Ų | 21 | 47.4 Ų | 47.4 | 10% | 0.098 | 26% | 0.261 | C | S | . | . | trans | -85.6 | 144.3 | 174.3 | -59.1 | -165.3 | 133.1 | 0 | 0 | 110.8 | H14 L321 S324 C326 G327 L360 T361 | H14-E329 IonicContact CD2-OE1 3.01Å; H14-E329 PolarHBondContact CD2-OE1 2.83Å; H14-E329 IonicContact CD2-OE2 3.17Å; H14-E329 PolarHBondContact CD2-OE2 3.36Å; H14-E329 IonicContact CE1-OE1 2.97Å; H14-E329 IonicContact CG-OE1 3.24Å; H14-E329 VanDerWaalsContact CG-OE1 3.24Å; H14-E329 IonicContact ND1-OE1 3.62Å; H14-E329 IonicContact NE2-OE1 3.36Å; H14-E329 PolarHBondContact NE2-OE1 3.37Å; H14-E329 IonicContact NE2-OE2 3.68Å; L321-E329 HydrophobicContact CD2-CB 4.06Å; L321-E329 WeakPolarHBondContact CD2-OE2 3.39Å; S324-E329 PolarHBondContact OG-OE2 2.86Å; C326-E329 HydrophobicContact CB-CG 3.78Å; C326-E329 WeakPolarHBondContact CB-OE1 3.39Å; G327-E329 VanDerWaalsContact C-N 3.27Å; G327-E329 PolarHBondContact O-N 3.38Å; E329-L360 CarbonylContact O-C 3.57Å; E329-L360 WeakPolarHBondContact O-CA 3Å; E329-T361 HydrophobicContact CB-CG2 4.26Å; E329-T361 WeakPolarHBondContact CB-OG1 3.35Å; E329-T361 PolarHBondContact N-OG1 3.28Å; E329-T361 PolarHBondContact O-N 3.46Å | ||
| 330 | L | 88.7 | Confident | 79.8 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130.6 | 174.8 | -174.5 | 148.4 | 0 | 0 | 0 | 109.4 | T12 I203 L245 L293 L358 F359 L360 | T12-L330 VanDerWaalsContact CA-O 3.3Å; T12-L330 WeakPolarHBondContact CA-O 3.35Å; T12-L330 PolarHBondContact OG1-O 3.04Å; I203-L330 HydrophobicContact CD1-CD1 3.37Å; L245-L330 HydrophobicContact CD2-CD2 4.33Å; L293-L330 HydrophobicContact CD2-CD1 4.35Å; L330-L358 HydrophobicContact CD1-CD1 4.14Å; L330-L358 HydrophobicContact CD2-CD1 4Å; L330-L358 HydrophobicContact CG-CD1 3.81Å; L330-F359 WeakPolarHBondContact CA-O 3.44Å; L330-L360 HydrophobicContact CB-CD2 4.13Å; L330-L360 HydrophobicContact CD1-CD2 3.62Å; L330-L360 HydrophobicContact CG-CD2 3.81Å |
| 331 | V | 90.8 | Very high | 77.3 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 108.7 | 167.6 | -173 | 0 | 0 | 0 | 0 | 108.6 | F10 I11 I317 L321 M333 L358 F359 | F10-V331 HydrophobicContact CD1-CG1 4.49Å; I11-V331 WeakPolarHBondContact O-CA 3.4Å; I317-V331 HydrophobicContact CG2-CB 4.12Å; I317-V331 HydrophobicContact CG2-CG1 3.89Å; I317-V331 HydrophobicContact CG2-CG2 4.19Å; L321-V331 HydrophobicContact CD1-CG2 3.98Å; L321-V331 HydrophobicContact CD2-CG2 3.92Å; L321-V331 HydrophobicContact CG-CG2 4.37Å; V331-M333 HydrophobicContact CG1-CG 4.22Å; V331-L358 CarbonylContact O-C 3.51Å; V331-L358 WeakPolarHBondContact O-CA 3.43Å; V331-F359 HydrophobicContact CB-CB 4.22Å; V331-F359 HydrophobicContact CB-CD2 4.4Å; V331-F359 PolarHBondContact N-O 3.4Å; V331-F359 PolarHBondContact O-N 2.99Å |
| 332 | Y | 90.6 | Very high | 74.9 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 130.7 | 171.6 | 171.7 | -92.2 | 0 | 0 | 0 | 109.2 | F10 I11 L242 L245 S246 A249 C334 L358 F379 | F10-Y332 CarbonylContact C-O 3.56Å; F10-Y332 WeakPolarHBondContact CA-O 3.44Å; I11-Y332 HydrophobicContact CB-CD1 4.32Å; I11-Y332 HydrophobicContact CD1-CD1 3.75Å; I11-Y332 HydrophobicContact CD1-CE1 4.16Å; I11-Y332 HydrophobicContact CG1-CD1 4.23Å; I11-Y332 PolarHBondContact N-O 2.99Å; I11-Y332 PolarHBondContact O-N 3.09Å; L242-Y332 HydrophobicContact CD2-CD2 4.19Å; L242-Y332 HydrophobicContact CD2-CE2 3.95Å; L245-Y332 HydrophobicContact CB-CD1 4.32Å; L245-Y332 HydrophobicContact CB-CD2 3.77Å; L245-Y332 HydrophobicContact CB-CE1 4.38Å; L245-Y332 HydrophobicContact CB-CE2 3.82Å; L245-Y332 HydrophobicContact CB-CG 4.01Å; L245-Y332 HydrophobicContact CD1-CD2 3.74Å; L245-Y332 HydrophobicContact CD1-CE2 4.45Å; L245-Y332 HydrophobicContact CD1-CG 4.11Å; L245-Y332 HydrophobicContact CG-CD2 4.32Å; L245-Y332 HydrophobicContact CG-CG 4.46Å; S246-Y332 PolarHBondContact OG-OH 2.89Å; S246-Y332 VanDerWaalsContact OG-OH 3.05Å; A249-Y332 HydrophobicContact CB-CE1 4.05Å; Y332-C334 HydrophobicContact CE1-CB 3.56Å; Y332-L358 HydrophobicContact CD2-CD1 4.39Å; Y332-F379 HydrophobicContact CD2-CE1 4.12Å; Y332-F379 AromaticContact CD2-CZ 3.94Å; Y332-F379 HydrophobicContact CD2-CZ 3.94Å; Y332-F379 AromaticContact CE2-CE1 3.82Å; Y332-F379 HydrophobicContact CE2-CE1 3.82Å; Y332-F379 HydrophobicContact CE2-CE2 4.05Å; Y332-F379 AromaticContact CE2-CZ 3.24Å; Y332-F379 HydrophobicContact CE2-CZ 3.24Å; Y332-F379 AromaticContact CZ-CZ 3.83Å |
| 333 | M | 91.1 | Very high | 72.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.1 | 176.5 | -66.3 | 177.5 | 56.2 | 0 | 0 | 108.9 | I9 F10 Y310 L313 E314 I317 V331 G356 T357 F359 | I9-M333 CarbonylContact O-C 3.54Å; I9-M333 WeakPolarHBondContact O-CA 3.02Å; F10-M333 HydrophobicContact CD1-CE 4.35Å; F10-M333 HydrophobicContact CD1-CG 3.47Å; F10-M333 VanDerWaalsContact CD1-CG 3.47Å; F10-M333 HydrophobicContact CD1-SD 4.02Å; F10-M333 HydrophobicContact CE1-CE 3.44Å; F10-M333 VanDerWaalsContact CE1-CE 3.44Å; F10-M333 HydrophobicContact CE1-CG 3.58Å; F10-M333 HydrophobicContact CE1-SD 3.57Å; F10-M333 VanDerWaalsContact CE1-SD 3.57Å; F10-M333 HydrophobicContact CG-CG 4.35Å; F10-M333 HydrophobicContact CZ-CE 3.82Å; Y310-M333 HydrophobicContact CD2-CE 4.29Å; Y310-M333 HydrophobicContact CE1-CE 4.39Å; Y310-M333 HydrophobicContact CE2-CB 4.31Å; Y310-M333 HydrophobicContact CE2-CE 3.81Å; Y310-M333 WeakPolarHBondContact OH-CB 3.37Å; L313-M333 HydrophobicContact CB-CE 3.95Å; E314-M333 HydrophobicContact CG-CE 4.24Å; I317-M333 HydrophobicContact CB-SD 4.39Å; I317-M333 HydrophobicContact CG1-SD 3.98Å; V331-M333 HydrophobicContact CG1-CG 4.22Å; M333-G356 CarbonylContact O-C 3.58Å; M333-G356 WeakPolarHBondContact O-CA 3.12Å; M333-T357 PolarHBondContact N-O 3Å; M333-T357 PolarHBondContact O-N 2.91Å; M333-F359 HydrophobicContact SD-CD2 4.42Å; M333-F359 HydrophobicContact SD-CE2 3.82Å |
| 334 | C | 87.1 | Confident | 70.1 | Confident | 22 Ų | 22 | 53.5 Ų | 53.5 | 15% | 0.149 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 135 | 176.4 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | V8 I9 Y332 | V8-C334 WeakPolarHBondContact CA-O 3.12Å; I9-C334 PolarHBondContact N-O 3.27Å; I9-C334 PolarHBondContact O-N 2.77Å; Y332-C334 HydrophobicContact CE1-CB 3.56Å |
| 335 | R | 85 | Confident | 68 | Low | 33 Ų | 33 | 57 Ų | 57 | 13% | 0.125 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 127.6 | 176.2 | -63.8 | 173.9 | 177.2 | 171.3 | -10 | 109.5 | L5 Y310 D311 P337 H354 L355 | L5-R335 HydrophobicContact CD1-CG 4.25Å; L5-R335 HydrophobicContact CD2-CB 3.91Å; L5-R335 HydrophobicContact CD2-CG 4.36Å; Y310-R335 VanDerWaalsContact CD1-CZ 3.43Å; Y310-R335 HydrophobicContact CD2-CG 3.44Å; Y310-R335 VanDerWaalsContact CD2-CG 3.44Å; Y310-R335 HydrophobicContact CE1-CG 4.3Å; Y310-R335 VanDerWaalsContact CE1-CZ 3.46Å; Y310-R335 HydrophobicContact CE2-CB 4.49Å; Y310-R335 HydrophobicContact CE2-CG 3.2Å; Y310-R335 HydrophobicContact CG-CG 4.1Å; Y310-R335 VanDerWaalsContact CG-NE 3.3Å; Y310-R335 VanDerWaalsContact CZ-NE 3.32Å; D311-R335 IonicContact OD1-NH2 3.62Å; D311-R335 PolarHBondContact OD1-NH2 2.86Å; R335-P337 WeakPolarHBondContact O-CD 3.46Å; R335-H354 WeakPolarHBondContact CD-O 3.36Å; R335-H354 PolarHBondContact NH1-O 3.39Å; R335-L355 WeakPolarHBondContact CB-O 3.42Å; R335-L355 PolarHBondContact N-O 2.74Å |
| 336 | C | 78.1 | Confident | 66.2 | Low | 37 Ų | 37 | 55.2 Ų | 55.2 | 25% | 0.25 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 96.3 | 168 | -68.4 | 0 | 0 | 0 | 0 | 108.7 | E6 N7 | E6-C336 PolarHBondContact N-O 3.01Å; N7-C336 HydrophobicContact CB-CB 3.83Å; N7-C336 PolarHBondContact N-O 3.28Å; N7-C336 WeakPolarHBondContact O-CB 3.38Å; N7-C336 PolarHBondContact O-N 3.46Å |
| 337 | P | 74.1 | Confident | 64.4 | Low | 58 Ų | 58 | 56 Ų | 56 | 38% | 0.377 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 145.2 | 175.5 | 27 | -33 | 0 | 0 | 0 | 109.7 | R335 K339 | R335-P337 WeakPolarHBondContact O-CD 3.46Å; P337-K339 PolarHBondContact O-N 2.85Å |
| 338 | L | 71.9 | Confident | 62.2 | Low | 35 Ų | 35 | 61.4 Ų | 61.4 | 18% | 0.183 | 34% | 0.341 | C | S | . | . | trans | -53.9 | 115.1 | 176.1 | -176.4 | 65.9 | 0 | 0 | 0 | 109.3 | L4 E6 I62 L304 V340 | L4-L338 HydrophobicContact CB-CB 4.13Å; L4-L338 HydrophobicContact CB-CD2 4.2Å; L4-L338 HydrophobicContact CD1-CD2 4.42Å; L4-L338 WeakPolarHBondContact O-CB 3.28Å; L4-L338 PolarHBondContact O-N 3.49Å; E6-L338 HydrophobicContact CB-CB 4.32Å; E6-L338 HydrophobicContact CB-CD1 3.93Å; E6-L338 HydrophobicContact CG-CD1 3.98Å; I62-L338 HydrophobicContact CB-CD2 4.48Å; I62-L338 HydrophobicContact CG1-CD2 4.29Å; I62-L338 HydrophobicContact CG2-CD2 4.05Å; L304-L338 HydrophobicContact CD2-CD1 4.1Å; L304-L338 HydrophobicContact CD2-CD2 4.02Å; L338-V340 PolarHBondContact O-N 2.96Å | ||
| 339 | K | 59.5 | Low | 60.2 | Low | 185 Ų | 185 | 66.8 Ų | 66.8 | 80% | 0.804 | 36% | 0.361 | S | S | * | . | trans | -69.6 | 96.3 | 178.5 | -83.5 | -176.3 | 179.9 | 173.7 | 0 | 108.8 | P337 T341 | P337-K339 PolarHBondContact O-N 2.85Å; K339-T341 PolarHBondContact O-N 3.32Å; K339-T341 VanDerWaalsContact O-N 3.13Å | ||
| 340 | V | 46.5 | Very low | 57.8 | Low | 46 Ų | 46 | 70.6 Ų | 70.6 | 28% | 0.279 | 38% | 0.379 | S | S | . | . | trans | -65.5 | 114.7 | 166.7 | -178.2 | 0 | 0 | 0 | 0 | 107.4 | K63 P64 L338 T342 | K63-V340 HydrophobicContact CG-CG1 4.42Å; P64-V340 HydrophobicContact CG-CG1 3.88Å; P64-V340 HydrophobicContact CG-CG2 4.27Å; L338-V340 PolarHBondContact O-N 2.96Å; V340-T342 PolarHBondContact O-N 2.94Å | ||
| 341 | T | 34.4 | Very low | 55.5 | Low | 109 Ų | 109 | 72 Ų | 72 | 67% | 0.669 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -66.4 | 82.1 | 172.9 | 43.3 | 0 | 0 | 0 | 0 | 110.4 | K339 | K339-T341 PolarHBondContact O-N 3.32Å; K339-T341 VanDerWaalsContact O-N 3.13Å |
| 342 | T | 33.9 | Very low | 53.2 | Low | 61 Ų | 61 | 78.7 Ų | 78.7 | 37% | 0.374 | 43% | 0.43 | S | S | . | . | trans | -143.6 | 124.7 | 155.1 | 45.7 | 0 | 0 | 0 | 0 | 106.8 | V340 S344 | V340-T342 PolarHBondContact O-N 2.94Å; T342-S344 PolarHBondContact O-N 2.97Å | ||
| 343 | D | 33 | Very low | 51.5 | Low | 173 Ų | 173 | 81.4 Ų | 81.4 | 93% | 0.925 | 44% | 0.444 | S | S | * | . | trans | -56.8 | 19.6 | 179.9 | -62 | -57.1 | 0 | 0 | 0 | 115.7 | V345 | D343-V345 PolarHBondContact O-N 3Š| ||
| 344 | S | 33.9 | Very low | 50.1 | Low | 42 Ų | 42 | 85.4 Ų | 85.4 | 29% | 0.294 | 46% | 0.463 | S | S | . | . | trans | -82.1 | 105.3 | 171 | 63.9 | 0 | 0 | 0 | 0 | 108.9 | T342 Q346 S347 | T342-S344 PolarHBondContact O-N 2.97Å; S344-Q346 PolarHBondContact O-N 3.18Å; S344-S347 PolarHBondContact O-N 2.82Å; S344-S347 VanDerWaalsContact O-N 3.17Å; S344-S347 PolarHBondContact O-OG 2.81Å | ||
| 345 | V | 35.8 | Very low | 49.6 | Very low | 108 Ų | 108 | 88.8 Ų | 88.8 | 66% | 0.655 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.1 | -11.2 | 155.9 | 178.1 | 0 | 0 | 0 | 0 | 113.1 | D343 | D343-V345 PolarHBondContact O-N 3Š|
| 346 | Q | 38.3 | Very low | 49.6 | Very low | 67 Ų | 67 | 87.2 Ų | 87.2 | 31% | 0.313 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.1 | -28.8 | 175.8 | -65.4 | 178.3 | -33.1 | 0 | 0 | 115.2 | E99 S344 L348 K349 | E99-Q346 WeakPolarHBondContact OE1-CG 3.31Å; E99-Q346 PolarHBondContact OE1-NE2 3.24Å; E99-Q346 PolarHBondContact OE2-NE2 3.38Å; E99-Q346 VanDerWaalsContact OE2-NE2 3.17Å; S344-Q346 PolarHBondContact O-N 3.18Å; Q346-L348 VanDerWaalsContact C-N 3.25Å; Q346-L348 PolarHBondContact O-N 2.91Å; Q346-K349 PolarHBondContact O-N 3.39Å |
| 347 | S | 37.2 | Very low | 50.2 | Low | 74 Ų | 74 | 85.4 Ų | 85.4 | 52% | 0.517 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.9 | -27.2 | 177.7 | 58.2 | 0 | 0 | 0 | 0 | 112.8 | S344 | S344-S347 PolarHBondContact O-N 2.82Å; S344-S347 VanDerWaalsContact O-N 3.17Å; S344-S347 PolarHBondContact O-OG 2.81Å |
| 348 | L | 32.2 | Very low | 51 | Low | 141 Ų | 141 | 82.7 Ų | 82.7 | 74% | 0.738 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -77.6 | -27.5 | 178.4 | -85.9 | 147.7 | 0 | 0 | 0 | 113.8 | Q346 | Q346-L348 VanDerWaalsContact C-N 3.25Å; Q346-L348 PolarHBondContact O-N 2.91Å |
| 349 | K | 36.5 | Very low | 51.9 | Low | 182 Ų | 182 | 81 Ų | 81 | 79% | 0.791 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -88.2 | -13.2 | -178.2 | -79.4 | -173.8 | 176.3 | 179.2 | 0 | 114.5 | Q346 | Q346-K349 PolarHBondContact O-N 3.39Å |
| 350 | Q | 36.1 | Very low | 53.2 | Low | 101 Ų | 101 | 72.7 Ų | 72.7 | 47% | 0.472 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -103.8 | 4.6 | -174.9 | -74 | -168.3 | -12.6 | 0 | 0 | 115.1 | R3 | R3-Q350 PolarHBondContact NH2-O 2.77Š|
| 351 | S | 39.2 | Very low | 55 | Low | 35 Ų | 35 | 70.6 Ų | 70.6 | 25% | 0.245 | 39% | 0.386 | C | S | . | . | trans | -91.1 | 94.7 | 157.6 | 41.7 | 0 | 0 | 0 | 0 | 110.1 | R3 D353 | R3-S351 VanDerWaalsContact CZ-CB 3.46Å; R3-S351 VanDerWaalsContact NH2-CB 3.34Å; S351-D353 PolarHBondContact O-N 3.29Å | ||
| 352 | V | 42.9 | Very low | 57.1 | Low | 142 Ų | 142 | 65.4 Ų | 65.4 | 86% | 0.861 | 35% | 0.354 | S | S | * | . | trans | -77.7 | 25.3 | 141.4 | -162.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 353 | D | 55.8 | Low | 58.9 | Low | 58 Ų | 58 | 70.2 Ų | 70.2 | 31% | 0.31 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -97.3 | 127 | 175.1 | -66.9 | -45.1 | 0 | 0 | 0 | 105.4 | R3 S351 L355 | R3-D353 IonicContact CZ-OD2 3.62Å; R3-D353 VanDerWaalsContact CZ-OD2 3.24Å; R3-D353 IonicContact NE-OD2 2.72Å; R3-D353 PolarHBondContact NE-OD2 2.65Å; R3-D353 IonicContact NH2-OD2 3.62Å; R3-D353 PolarHBondContact NH2-OD2 2.92Å; S351-D353 PolarHBondContact O-N 3.29Å; D353-L355 PolarHBondContact O-N 2.79Å |
| 354 | H | 61.6 | Low | 60 | Low | 84 Ų | 84 | 67.1 Ų | 67.1 | 39% | 0.389 | 34% | 0.344 | S | S | . | . | trans | -49 | 125.2 | 178.5 | -52.5 | -65.5 | 0 | 0 | 0 | 110.4 | R335 G356 R378 F379 | R335-H354 WeakPolarHBondContact CD-O 3.36Å; R335-H354 PolarHBondContact NH1-O 3.39Å; H354-G356 PolarHBondContact O-N 3.11Å; H354-R378 HydrophobicContact CB-CB 4.25Å; H354-F379 CarbonylContact C-O 3.38Å; H354-F379 WeakPolarHBondContact CA-O 3.35Å; H354-F379 WeakPolarHBondContact CB-O 3.38Å | ||
| 355 | L | 76.1 | Confident | 61 | Low | 93 Ų | 93 | 66.9 Ų | 66.9 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -63.7 | -28.3 | 173 | -67.8 | 171.6 | 0 | 0 | 0 | 111.4 | R335 D353 F379 | R335-L355 WeakPolarHBondContact CB-O 3.42Å; R335-L355 PolarHBondContact N-O 2.74Å; D353-L355 PolarHBondContact O-N 2.79Å; L355-F379 WeakPolarHBondContact CA-O 3.2Å; L355-F379 HydrophobicContact CB-CD2 4.01Å; L355-F379 HydrophobicContact CB-CE2 4.11Å; L355-F379 PolarHBondContact N-O 3.24Å |
| 356 | G | 85.3 | Confident | 61.5 | Low | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.1 | -168.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y310 M333 H354 F379 | Y310-G356 WeakPolarHBondContact OH-CA 3.35Å; M333-G356 CarbonylContact O-C 3.58Å; M333-G356 WeakPolarHBondContact O-CA 3.12Å; H354-G356 PolarHBondContact O-N 3.11Å; G356-F379 VanDerWaalsContact C-CZ 3.49Å; G356-F379 VanDerWaalsContact CA-CZ 3.44Å; G356-F379 PolarHBondContact N-O 3.1Å; G356-F379 PolarHBondContact O-N 3.02Å; G356-F379 VanDerWaalsContact O-N 3.09Å |
| 357 | T | 90.4 | Very high | 62.2 | Low | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 131.7 | -171.7 | -47.4 | 0 | 0 | 0 | 0 | 109.9 | Y310 E314 M333 F359 K376 I377 R378 F379 | Y310-T357 WeakPolarHBondContact OH-CB 3.28Å; Y310-T357 PolarHBondContact OH-N 3.09Å; Y310-T357 PolarHBondContact OH-OG1 3.29Å; E314-T357 WeakPolarHBondContact OE1-CB 3.39Å; E314-T357 VanDerWaalsContact OE1-CG2 3.3Å; E314-T357 WeakPolarHBondContact OE1-CG2 3.34Å; E314-T357 PolarHBondContact OE1-OG1 2.9Å; M333-T357 PolarHBondContact N-O 3Å; M333-T357 PolarHBondContact O-N 2.91Å; T357-F359 HydrophobicContact CG2-CD2 4.07Å; T357-F359 HydrophobicContact CG2-CE1 4.46Å; T357-F359 HydrophobicContact CG2-CE2 3.5Å; T357-F359 HydrophobicContact CG2-CZ 3.74Å; T357-K376 HydrophobicContact CG2-CD 4.26Å; T357-K376 HydrophobicContact CG2-CG 3.72Å; T357-I377 CarbonylContact C-O 3.56Å; T357-I377 WeakPolarHBondContact CA-O 3.34Å; T357-R378 HydrophobicContact CG2-CG 4.35Å; T357-F379 VanDerWaalsContact N-CE1 3.26Å |
| 358 | L | 90.9 | Very high | 62.9 | Low | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123.9 | 174.1 | 177.7 | 65.7 | 0 | 0 | 0 | 109 | L206 L242 L245 L330 V331 Y332 L360 K376 I377 F379 | L206-L358 HydrophobicContact CD1-CD2 3.51Å; L242-L358 HydrophobicContact CD2-CB 4.37Å; L242-L358 HydrophobicContact CD2-CD2 4.13Å; L245-L358 HydrophobicContact CD1-CD1 4.11Å; L330-L358 HydrophobicContact CD1-CD1 4.14Å; L330-L358 HydrophobicContact CD2-CD1 4Å; L330-L358 HydrophobicContact CG-CD1 3.81Å; V331-L358 CarbonylContact O-C 3.51Å; V331-L358 WeakPolarHBondContact O-CA 3.43Å; Y332-L358 HydrophobicContact CD2-CD1 4.39Å; L358-L360 HydrophobicContact CD1-CD2 4.31Å; L358-L360 HydrophobicContact CD2-CD1 3.97Å; L358-L360 HydrophobicContact CD2-CD2 4.41Å; L358-L360 HydrophobicContact CD2-CG 4.29Å; L358-L360 HydrophobicContact CG-CD1 4.22Å; L358-L360 HydrophobicContact CG-CD2 4.29Å; L358-L360 HydrophobicContact CG-CG 4.05Å; L358-K376 WeakPolarHBondContact O-CA 3.06Å; L358-I377 HydrophobicContact CB-CB 4.33Å; L358-I377 HydrophobicContact CD2-CD1 4.44Å; L358-I377 PolarHBondContact N-O 3.32Å; L358-I377 PolarHBondContact O-N 3.29Å; L358-F379 HydrophobicContact CB-CE1 4.26Å |
| 359 | F | 90.1 | Very high | 64.1 | Low | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 135.7 | 171.7 | -62 | -91.2 | 0 | 0 | 0 | 110.1 | E314 I317 K318 L321 L330 V331 M333 T357 L374 I375 K376 | E314-F359 HydrophobicContact CB-CZ 4.2Å; E314-F359 HydrophobicContact CG-CZ 4.49Å; I317-F359 HydrophobicContact CB-CE2 4.4Å; I317-F359 HydrophobicContact CG2-CD2 3.75Å; I317-F359 HydrophobicContact CG2-CE2 3.88Å; I317-F359 HydrophobicContact CG2-CG 4.2Å; I317-F359 HydrophobicContact CG2-CZ 4.42Å; K318-F359 HydrophobicContact CB-CE1 4.02Å; L321-F359 HydrophobicContact CD1-CB 3.42Å; L321-F359 VanDerWaalsContact CD1-CB 3.42Å; L321-F359 HydrophobicContact CD1-CD1 4.27Å; L321-F359 HydrophobicContact CD1-CG 3.94Å; L330-F359 WeakPolarHBondContact CA-O 3.44Å; V331-F359 HydrophobicContact CB-CB 4.22Å; V331-F359 HydrophobicContact CB-CD2 4.4Å; V331-F359 PolarHBondContact N-O 3.4Å; V331-F359 PolarHBondContact O-N 2.99Å; M333-F359 HydrophobicContact SD-CD2 4.42Å; M333-F359 HydrophobicContact SD-CE2 3.82Å; T357-F359 HydrophobicContact CG2-CD2 4.07Å; T357-F359 HydrophobicContact CG2-CE1 4.46Å; T357-F359 HydrophobicContact CG2-CE2 3.5Å; T357-F359 HydrophobicContact CG2-CZ 3.74Å; F359-L374 HydrophobicContact CB-CD1 4.26Å; F359-L374 HydrophobicContact CD1-CD1 4.32Å; F359-I375 WeakPolarHBondContact CA-O 3.5Å; F359-K376 HydrophobicContact CD1-CB 4.1Å; F359-K376 HydrophobicContact CD1-CG 4.13Å; F359-K376 HydrophobicContact CE1-CB 4.07Å; F359-K376 HydrophobicContact CE1-CD 3.79Å; F359-K376 HydrophobicContact CE1-CG 3.73Å; F359-K376 HydrophobicContact CZ-CD 4.14Å; F359-K376 HydrophobicContact CZ-CG 4.2Å |
| 360 | L | 87.6 | Confident | 65.3 | Low | 10 Ų | 10 | 68.3 Ų | 68.3 | 5% | 0.052 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 124.3 | -179 | -63 | 164.7 | 0 | 0 | 0 | 109.3 | L206 I207 W209 E329 L330 L358 I375 I377 | L206-L360 HydrophobicContact CB-CD1 4.16Å; L206-L360 HydrophobicContact CD1-CD1 3.66Å; L206-L360 HydrophobicContact CD1-CD2 4.17Å; L206-L360 HydrophobicContact CG-CD1 4.49Å; I207-L360 HydrophobicContact CD1-CB 4.27Å; I207-L360 HydrophobicContact CD1-CD1 3.49Å; I207-L360 VanDerWaalsContact CD1-CD1 3.49Å; W209-L360 HydrophobicContact CH2-CB 4.42Å; W209-L360 HydrophobicContact CZ2-CB 4.35Å; E329-L360 CarbonylContact O-C 3.57Å; E329-L360 WeakPolarHBondContact O-CA 3Å; L330-L360 HydrophobicContact CB-CD2 4.13Å; L330-L360 HydrophobicContact CD1-CD2 3.62Å; L330-L360 HydrophobicContact CG-CD2 3.81Å; L358-L360 HydrophobicContact CD1-CD2 4.31Å; L358-L360 HydrophobicContact CD2-CD1 3.97Å; L358-L360 HydrophobicContact CD2-CD2 4.41Å; L358-L360 HydrophobicContact CD2-CG 4.29Å; L358-L360 HydrophobicContact CG-CD1 4.22Å; L358-L360 HydrophobicContact CG-CD2 4.29Å; L358-L360 HydrophobicContact CG-CG 4.05Å; L360-I375 PolarHBondContact N-O 2.96Å; L360-I375 PolarHBondContact O-N 2.9Å; L360-I377 HydrophobicContact CD1-CD1 4.04Å |
| 361 | T | 84.6 | Confident | 66.7 | Low | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.018 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 135.3 | 168.8 | 67.5 | 0 | 0 | 0 | 0 | 110.4 | L321 C326 N328 E329 P373 L374 | L321-T361 HydrophobicContact CB-CG2 4.24Å; L321-T361 HydrophobicContact CD2-CG2 4.48Å; C326-T361 WeakPolarHBondContact O-CB 3.41Å; C326-T361 PolarHBondContact O-OG1 3.37Å; N328-T361 WeakPolarHBondContact CA-O 3.44Å; N328-T361 PolarHBondContact N-O 3.06Å; N328-T361 PolarHBondContact N-OG1 3.48Å; E329-T361 HydrophobicContact CB-CG2 4.26Å; E329-T361 WeakPolarHBondContact CB-OG1 3.35Å; E329-T361 PolarHBondContact N-OG1 3.28Å; E329-T361 PolarHBondContact O-N 3.46Å; T361-P373 CarbonylContact C-O 3.59Å; T361-P373 WeakPolarHBondContact CA-O 3.43Å; T361-L374 HydrophobicContact CG2-CD1 3.82Å |
| 362 | G | 77.9 | Confident | 68.5 | Low | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | trans | -72.5 | 177.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G327 N328 P372 P373 | G327-G362 CarbonylContact C-O 3.49Å; G327-G362 WeakPolarHBondContact CA-O 3.39Å; N328-G362 PolarHBondContact N-O 3.06Å; N328-G362 VanDerWaalsContact N-O 3.16Å; G362-P372 WeakPolarHBondContact O-CB 3.4Å; G362-P373 PolarHBondContact N-O 3Å | ||
| 363 | R | 71.4 | Confident | 70.3 | Confident | 162 Ų | 162 | 59.3 Ų | 59.3 | 61% | 0.611 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -66 | 139.5 | 168.8 | -65 | -179.4 | -174.6 | 174.7 | 5.6 | 109 | N328 S365 | N328-R363 WeakPolarHBondContact OD1-CG 3.43Å; R363-S365 PolarHBondContact O-N 3.43Å |
| 364 | K | 57.4 | Low | 71.7 | Confident | 108 Ų | 108 | 58.9 Ų | 58.9 | 47% | 0.47 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -56 | 125.1 | 176.7 | -153.7 | 176.6 | -172.2 | -177.9 | 0 | 108.4 | ||
| 365 | S | 53.5 | Low | 72.8 | Confident | 37 Ų | 37 | 56 Ų | 56 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 150.8 | 175.9 | 63.3 | 0 | 0 | 0 | 0 | 109.1 | R363 S367 Q370 | R363-S365 PolarHBondContact O-N 3.43Å; S365-S367 PolarHBondContact O-N 3.14Å; S365-S367 VanDerWaalsContact O-N 3.11Å; S365-S367 PolarHBondContact OG-OG 2.81Å; S365-Q370 PolarHBondContact OG-O 3.26Å |
| 366 | I | 47.4 | Very low | 73.5 | Confident | 176 Ų | 176 | 54.1 Ų | 54.1 | 90% | 0.903 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -65 | -15.4 | -175.7 | -62.2 | 163.8 | 0 | 0 | 0 | 111.6 | D368 | I366-D368 PolarHBondContact O-N 3.22Š|
| 367 | S | 51.8 | Low | 73.5 | Confident | 59 Ų | 59 | 55.3 Ų | 55.3 | 41% | 0.413 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -83.9 | 108.9 | 172.9 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | S365 S369 Q370 | S365-S367 PolarHBondContact O-N 3.14Å; S365-S367 VanDerWaalsContact O-N 3.11Å; S365-S367 PolarHBondContact OG-OG 2.81Å; S367-S369 PolarHBondContact O-N 2.77Å; S367-Q370 PolarHBondContact O-N 3.19Å |
| 368 | D | 53.5 | Low | 73.2 | Confident | 153 Ų | 153 | 60.7 Ų | 60.7 | 82% | 0.818 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -10.3 | -178.1 | -75.4 | -38.4 | 0 | 0 | 0 | 116 | I366 | I366-D368 PolarHBondContact O-N 3.22Š|
| 369 | S | 56.3 | Low | 72.8 | Confident | 111 Ų | 111 | 63.7 Ų | 63.7 | 78% | 0.776 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -12.3 | -174.2 | 55.5 | 0 | 0 | 0 | 0 | 115.7 | S367 | S367-S369 PolarHBondContact O-N 2.77Š|
| 370 | Q | 61.1 | Low | 71.9 | Confident | 102 Ų | 102 | 66.9 Ų | 66.9 | 48% | 0.477 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -122 | 119.4 | 177 | -67.8 | -168.3 | -8.2 | 0 | 0 | 109.7 | S365 S367 | S365-Q370 PolarHBondContact OG-O 3.26Å; S367-Q370 PolarHBondContact O-N 3.19Å |
| 371 | G | 66.2 | Low | 71.1 | Confident | 40 Ų | 40 | 69.8 Ų | 69.8 | 41% | 0.412 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 166.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 372 | P | 77 | Confident | 70.3 | Confident | 16 Ų | 16 | 73.6 Ų | 73.6 | 10% | 0.104 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -58 | 141.5 | 178.9 | 25.1 | -32.2 | 0 | 0 | 0 | 110.8 | C326 G362 L374 | C326-P372 WeakPolarHBondContact O-CG 3.32Å; G362-P372 WeakPolarHBondContact O-CB 3.4Å; P372-L374 PolarHBondContact O-N 3.06Å |
| 373 | P | 81.4 | Confident | 69.9 | Low | 34 Ų | 34 | 77.9 Ų | 77.9 | 22% | 0.221 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 136.6 | 177.4 | 25.3 | -32.6 | 0 | 0 | 0 | 110.1 | W209 L212 T361 G362 | W209-P373 HydrophobicContact CE3-CG 4.11Å; W209-P373 HydrophobicContact CZ3-CB 4.38Å; W209-P373 HydrophobicContact CZ3-CG 3.79Å; L212-P373 HydrophobicContact CD2-CB 3.95Å; L212-P373 HydrophobicContact CD2-CG 4.08Å; T361-P373 CarbonylContact C-O 3.59Å; T361-P373 WeakPolarHBondContact CA-O 3.43Å; G362-P373 PolarHBondContact N-O 3Å |
| 374 | L | 84.7 | Confident | 69.8 | Low | 49 Ų | 49 | 72.6 Ų | 72.6 | 26% | 0.257 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 123.5 | 177.7 | 175.7 | 64.7 | 0 | 0 | 0 | 110.1 | K318 L321 V322 F359 T361 P372 | K318-L374 HydrophobicContact CG-CD2 3.78Å; L321-L374 HydrophobicContact CB-CD1 4.2Å; L321-L374 HydrophobicContact CB-CD2 4.4Å; L321-L374 HydrophobicContact CD1-CD1 3.87Å; V322-L374 HydrophobicContact CG2-CD2 3.83Å; F359-L374 HydrophobicContact CB-CD1 4.26Å; F359-L374 HydrophobicContact CD1-CD1 4.32Å; T361-L374 HydrophobicContact CG2-CD1 3.82Å; P372-L374 PolarHBondContact O-N 3.06Å |
| 375 | I | 84.9 | Confident | 70.6 | Confident | 24 Ų | 24 | 70.3 Ų | 70.3 | 12% | 0.123 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 136.1 | 174.9 | -67.9 | 170.6 | 0 | 0 | 0 | 109.3 | I207 W209 L212 F232 F359 L360 I377 | I207-I375 HydrophobicContact CD1-CB 4Å; I207-I375 HydrophobicContact CD1-CD1 3.52Å; I207-I375 HydrophobicContact CD1-CG1 4.33Å; I207-I375 HydrophobicContact CD1-CG2 3.81Å; I207-I375 HydrophobicContact CG1-CD1 4.11Å; I207-I375 HydrophobicContact CG2-CD1 3.96Å; W209-I375 HydrophobicContact CH2-CD1 3.89Å; W209-I375 HydrophobicContact CH2-CG1 4.43Å; W209-I375 HydrophobicContact CZ3-CD1 3.69Å; W209-I375 HydrophobicContact CZ3-CG1 4.4Å; L212-I375 HydrophobicContact CD1-CD1 3.75Å; L212-I375 HydrophobicContact CD2-CD1 4.22Å; F232-I375 HydrophobicContact CE2-CD1 4.48Å; F359-I375 WeakPolarHBondContact CA-O 3.5Å; L360-I375 PolarHBondContact N-O 2.96Å; L360-I375 PolarHBondContact O-N 2.9Å; I375-I377 HydrophobicContact CG2-CG1 4Å |
| 376 | K | 89.3 | Confident | 71.8 | Confident | 53 Ų | 53 | 72.6 Ų | 72.6 | 23% | 0.23 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 117.8 | 175.4 | 179.4 | -175.9 | -176.4 | 172.6 | 0 | 108.6 | E314 T357 L358 F359 R378 | E314-K376 VanDerWaalsContact CD-NZ 3.35Å; E314-K376 WeakPolarHBondContact OE1-CE 3.14Å; E314-K376 IonicContact OE1-NZ 2.82Å; E314-K376 WeakPolarHBondContact OE2-CE 3.49Å; E314-K376 IonicContact OE2-NZ 3.44Å; E314-K376 PolarHBondContact OE2-NZ 3.3Å; T357-K376 HydrophobicContact CG2-CD 4.26Å; T357-K376 HydrophobicContact CG2-CG 3.72Å; L358-K376 WeakPolarHBondContact O-CA 3.06Å; F359-K376 HydrophobicContact CD1-CB 4.1Å; F359-K376 HydrophobicContact CD1-CG 4.13Å; F359-K376 HydrophobicContact CE1-CB 4.07Å; F359-K376 HydrophobicContact CE1-CD 3.79Å; F359-K376 HydrophobicContact CE1-CG 3.73Å; F359-K376 HydrophobicContact CZ-CD 4.14Å; F359-K376 HydrophobicContact CZ-CG 4.2Å; K376-R378 VanDerWaalsContact NZ-NH2 3.1Å |
| 377 | I | 85.5 | Confident | 73.7 | Confident | 24 Ų | 24 | 64.7 Ų | 64.7 | 12% | 0.123 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 122.5 | 176 | -56.6 | 174 | 0 | 0 | 0 | 107.7 | I238 T357 L358 L360 I375 | I238-I377 HydrophobicContact CD1-CD1 4.22Å; I238-I377 HydrophobicContact CG1-CD1 4.33Å; I238-I377 HydrophobicContact CG2-CG2 4.4Å; T357-I377 CarbonylContact C-O 3.56Å; T357-I377 WeakPolarHBondContact CA-O 3.34Å; L358-I377 HydrophobicContact CB-CB 4.33Å; L358-I377 HydrophobicContact CD2-CD1 4.44Å; L358-I377 PolarHBondContact N-O 3.32Å; L358-I377 PolarHBondContact O-N 3.29Å; L360-I377 HydrophobicContact CD1-CD1 4.04Å; I375-I377 HydrophobicContact CG2-CG1 4Å |
| 378 | R | 85.4 | Confident | 75.5 | Confident | 113 Ų | 113 | 65.2 Ų | 65.2 | 43% | 0.426 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 132.5 | 171 | -73.7 | 178.8 | 166.3 | 164.9 | -3.2 | 108.6 | E314 H354 T357 K376 | E314-R378 IonicContact OE1-NE 2.75Å; E314-R378 IonicContact OE2-CZ 3.89Å; E314-R378 IonicContact OE2-NE 3.24Å; E314-R378 IonicContact OE2-NH2 2.88Å; E314-R378 PolarHBondContact OE2-NH2 3.48Å; H354-R378 HydrophobicContact CB-CB 4.25Å; T357-R378 HydrophobicContact CG2-CG 4.35Å; K376-R378 VanDerWaalsContact NZ-NH2 3.1Å |
| 379 | F | 81.2 | Confident | 77.6 | Confident | 63 Ų | 63 | 57.2 Ų | 57.2 | 28% | 0.276 | 31% | 0.311 | S | S | . | . | trans | -132.4 | 0 | -175.5 | 57.9 | -94.1 | 0 | 0 | 0 | 111.6 | L242 Y332 H354 L355 G356 T357 L358 | L242-F379 HydrophobicContact CD1-CB 3.65Å; L242-F379 HydrophobicContact CD1-CD1 3.87Å; L242-F379 HydrophobicContact CD1-CD2 4.4Å; L242-F379 HydrophobicContact CD1-CG 3.72Å; L242-F379 HydrophobicContact CD2-CD1 3.46Å; L242-F379 VanDerWaalsContact CD2-CD1 3.46Å; L242-F379 HydrophobicContact CD2-CD2 4.46Å; L242-F379 HydrophobicContact CD2-CE1 3.46Å; L242-F379 VanDerWaalsContact CD2-CE1 3.46Å; L242-F379 HydrophobicContact CD2-CE2 4.47Å; L242-F379 HydrophobicContact CD2-CG 4Å; L242-F379 HydrophobicContact CD2-CZ 4.01Å; L242-F379 HydrophobicContact CG-CD1 4.34Å; L242-F379 HydrophobicContact CG-CG 4.49Å; Y332-F379 HydrophobicContact CD2-CE1 4.12Å; Y332-F379 AromaticContact CD2-CZ 3.94Å; Y332-F379 HydrophobicContact CD2-CZ 3.94Å; Y332-F379 AromaticContact CE2-CE1 3.82Å; Y332-F379 HydrophobicContact CE2-CE1 3.82Å; Y332-F379 HydrophobicContact CE2-CE2 4.05Å; Y332-F379 AromaticContact CE2-CZ 3.24Å; Y332-F379 HydrophobicContact CE2-CZ 3.24Å; Y332-F379 AromaticContact CZ-CZ 3.83Å; H354-F379 CarbonylContact C-O 3.38Å; H354-F379 WeakPolarHBondContact CA-O 3.35Å; H354-F379 WeakPolarHBondContact CB-O 3.38Å; L355-F379 WeakPolarHBondContact CA-O 3.2Å; L355-F379 HydrophobicContact CB-CD2 4.01Å; L355-F379 HydrophobicContact CB-CE2 4.11Å; L355-F379 PolarHBondContact N-O 3.24Å; G356-F379 VanDerWaalsContact C-CZ 3.49Å; G356-F379 VanDerWaalsContact CA-CZ 3.44Å; G356-F379 PolarHBondContact N-O 3.1Å; G356-F379 PolarHBondContact O-N 3.02Å; G356-F379 VanDerWaalsContact O-N 3.09Å; T357-F379 VanDerWaalsContact N-CE1 3.26Å; L358-F379 HydrophobicContact CB-CE1 4.26Å |
Retrieved 379 of 379 residues in 200.4 ms
(Link to these results)