| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 59.3 | Low | 80 | Confident | 95 Ų | 95 | 66.7 Ų | 66.7 | 47% | 0.468 | 35% | 0.351 | S | S | . | . | 0 | 144.4 | 0 | -76 | 177.9 | 173.5 | 0 | 0 | 107.6 | S215 L247 T248 | M1-S215 WeakPolarHBondContact CE-OG 3.39Å; M1-S215 PolarHBondContact SD-OG 3.06Å; M1-L247 HydrophobicContact CE-CD1 3.86Å; M1-L247 HydrophobicContact CE-CG 3.65Å; M1-L247 WeakPolarHBondContact CE-O 3.35Å; M1-L247 HydrophobicContact SD-CD1 3.8Å; M1-L247 HydrophobicContact SD-CD2 4.17Å; M1-L247 HydrophobicContact SD-CG 3.77Å; M1-T248 HydrophobicContact CE-CG2 3.95Å | |||
| 2 | N | 61.3 | Low | 81 | Confident | 160 Ų | 160 | 61.2 Ų | 61.2 | 86% | 0.856 | 32% | 0.322 | S | S | * | . | trans | -114.2 | 2.1 | -174.4 | -60.1 | 17.7 | 0 | 0 | 0 | 112.2 | C4 | N2-C4 PolarHBondContact O-N 2.67Š| ||
| 3 | L | 74.1 | Confident | 82 | Confident | 43 Ų | 43 | 57.9 Ų | 57.9 | 23% | 0.225 | 31% | 0.306 | C | S | . | . | trans | -72.9 | 114.4 | 174.5 | -75.9 | 157.6 | 0 | 0 | 0 | 109.7 | C7 D11 I208 L247 | L3-C7 HydrophobicContact CD2-CB 4.5Å; L3-D11 WeakPolarHBondContact CD1-O 3.39Å; L3-D11 HydrophobicContact CD2-CB 4.15Å; L3-I208 HydrophobicContact CB-CD1 3.77Å; L3-I208 HydrophobicContact CD1-CD1 4.3Å; L3-L247 HydrophobicContact CD1-CD1 3.57Å | ||
| 4 | C | 76.1 | Confident | 82.7 | Confident | 103 Ų | 103 | 54.5 Ų | 54.5 | 70% | 0.696 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -95.2 | 145 | 169.5 | -62.6 | 0 | 0 | 0 | 0 | 109.2 | N2 | N2-C4 PolarHBondContact O-N 2.67Š|
| 5 | W | 80.6 | Confident | 83.2 | Confident | 45 Ų | 45 | 58.7 Ų | 58.7 | 17% | 0.17 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -94.2 | 140.3 | 174.8 | 178.1 | 87.8 | 0 | 0 | 0 | 109.9 | A205 I208 L375 Q397 Y398 | W5-A205 HydrophobicContact CD2-CB 4.3Å; W5-A205 HydrophobicContact CG-CB 4.43Å; W5-A205 HydrophobicContact CZ2-CB 3.85Å; W5-I208 HydrophobicContact CB-CG2 4.16Å; W5-L375 HydrophobicContact CB-CD2 3.85Å; W5-L375 HydrophobicContact CD2-CD1 4.49Å; W5-L375 HydrophobicContact CD2-CD2 4.04Å; W5-L375 HydrophobicContact CD2-CG 4.14Å; W5-L375 HydrophobicContact CE3-CD1 3.99Å; W5-L375 HydrophobicContact CE3-CD2 4.33Å; W5-L375 HydrophobicContact CE3-CG 4.12Å; W5-L375 HydrophobicContact CG-CD2 3.85Å; W5-L375 HydrophobicContact CG-CG 4.47Å; W5-L375 HydrophobicContact CZ3-CD1 4.26Å; W5-L375 HydrophobicContact CZ3-CG 4.49Å; W5-Q397 HydrophobicContact CH2-CB 4.14Å; W5-Q397 HydrophobicContact CH2-CG 4.33Å; W5-Y398 HydrophobicContact CD2-CE2 4.46Å; W5-Y398 AromaticContact CE2-CE2 3.99Å; W5-Y398 HydrophobicContact CE3-CE2 4.32Å; W5-Y398 AromaticContact CH2-CD2 3.71Å; W5-Y398 HydrophobicContact CH2-CD2 3.71Å; W5-Y398 AromaticContact CH2-CE2 3.31Å; W5-Y398 HydrophobicContact CH2-CE2 3.31Å; W5-Y398 AromaticContact CZ2-CD2 3.51Å; W5-Y398 HydrophobicContact CZ2-CD2 3.51Å; W5-Y398 AromaticContact CZ2-CE2 3.42Å; W5-Y398 HydrophobicContact CZ2-CE2 3.42Å; W5-Y398 VanDerWaalsContact CZ2-CE2 3.42Å; W5-Y398 AromaticContact CZ3-CE2 3.78Å; W5-Y398 HydrophobicContact CZ3-CE2 3.78Å |
| 6 | P | 80.2 | Confident | 83.6 | Confident | 58 Ų | 58 | 61.6 Ų | 61.6 | 38% | 0.377 | 34% | 0.335 | S | S | . | . | S | Bend | cis | -76.3 | 141.9 | 4.2 | 31.2 | -35.7 | 0 | 0 | 0 | 114.4 | Y398 | P6-Y398 HydrophobicContact CB-CE2 4.03Å; P6-Y398 HydrophobicContact CG-CE2 4.21Å |
| 7 | C | 85 | Confident | 84.1 | Confident | 13 Ų | 13 | 59.1 Ų | 59.1 | 9% | 0.088 | 32% | 0.32 | C | S | . | . | trans | -146 | 177.7 | 169.8 | 65 | 0 | 0 | 0 | 0 | 108.1 | L3 T204 | L3-C7 HydrophobicContact CD2-CB 4.5Å; C7-T204 VanDerWaalsContact O-CG2 3.29Å; C7-T204 WeakPolarHBondContact O-CG2 3.38Å; C7-T204 VanDerWaalsContact SG-CG2 3.54Å | ||
| 8 | Y | 88.4 | Confident | 84.6 | Confident | 62 Ų | 62 | 62 Ų | 62 | 24% | 0.243 | 33% | 0.331 | C | S | . | . | trans | -92.1 | 159.1 | 176.8 | -61 | -75.1 | 0 | 0 | 0 | 113.1 | K10 D11 P175 H178 D200 | Y8-K10 VanDerWaalsContact C-N 3.31Å; Y8-K10 PolarHBondContact O-N 3.23Å; Y8-D11 VanDerWaalsContact CB-OD2 3.32Å; Y8-D11 WeakPolarHBondContact CB-OD2 3.43Å; Y8-D11 WeakPolarHBondContact CD2-OD2 3.32Å; Y8-D11 PolarHBondContact N-OD2 3.04Å; Y8-D11 WeakPolarHBondContact O-CB 3.15Å; Y8-D11 PolarHBondContact O-N 2.87Å; Y8-D11 VanDerWaalsContact O-N 3.1Å; Y8-P175 WeakPolarHBondContact OH-CA 3.43Å; Y8-P175 WeakPolarHBondContact OH-CB 3.25Å; Y8-H178 AromaticContact CD1-CE1 3.62Å; Y8-H178 AromaticContact CE1-CE1 3.74Å; Y8-H178 AromaticContact CE1-ND1 3.93Å; Y8-D200 WeakPolarHBondContact CA-OD1 3.46Å | ||
| 9 | L | 91.6 | Very high | 85 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -64.3 | -37.5 | 176.9 | -171.4 | 65.7 | 0 | 0 | 0 | 111.5 | D11 C12 V89 I180 D200 L203 T204 V207 Y243 | L9-D11 PolarHBondContact O-N 3.14Å; L9-C12 VanDerWaalsContact O-CB 3.31Å; L9-C12 WeakPolarHBondContact O-CB 3.46Å; L9-C12 PolarHBondContact O-N 3.34Å; L9-V89 HydrophobicContact CB-CG1 4.14Å; L9-V89 HydrophobicContact CD2-CG1 4.22Å; L9-V89 HydrophobicContact CD2-CG2 4.11Å; L9-V89 HydrophobicContact CG-CG1 4.32Å; L9-I180 HydrophobicContact CD2-CG1 3.84Å; L9-D200 WeakPolarHBondContact CB-OD2 3.43Å; L9-D200 VanDerWaalsContact N-CG 3.33Å; L9-D200 PolarHBondContact N-OD1 3.44Å; L9-D200 VanDerWaalsContact N-OD1 3.07Å; L9-D200 PolarHBondContact N-OD2 3.13Å; L9-L203 HydrophobicContact CD1-CD2 4.06Å; L9-L203 HydrophobicContact CD1-CG 3.96Å; L9-L203 HydrophobicContact CD2-CD2 3.47Å; L9-L203 VanDerWaalsContact CD2-CD2 3.47Å; L9-L203 HydrophobicContact CD2-CG 4.23Å; L9-L203 HydrophobicContact CG-CD2 4.42Å; L9-T204 VanDerWaalsContact CA-OG1 3.26Å; L9-T204 WeakPolarHBondContact CA-OG1 3.46Å; L9-T204 WeakPolarHBondContact CB-OG1 3.45Å; L9-T204 PolarHBondContact N-OG1 3.3Å; L9-T204 VanDerWaalsContact N-OG1 3.11Å; L9-V207 HydrophobicContact CD1-CG2 4.09Å; L9-Y243 HydrophobicContact CD1-CD1 3.96Å; L9-Y243 HydrophobicContact CD1-CD2 3.78Å; L9-Y243 HydrophobicContact CD1-CE1 4.28Å; L9-Y243 HydrophobicContact CD1-CE2 4.13Å; L9-Y243 HydrophobicContact CD1-CG 3.68Å; L9-Y243 HydrophobicContact CD2-CD2 4.05Å; L9-Y243 HydrophobicContact CD2-CE2 3.64Å; L9-Y243 HydrophobicContact CG-CD1 4.05Å; L9-Y243 HydrophobicContact CG-CD2 3.92Å; L9-Y243 HydrophobicContact CG-CE1 3.85Å; L9-Y243 HydrophobicContact CG-CE2 3.71Å; L9-Y243 HydrophobicContact CG-CG 4.07Å; L9-Y243 WeakPolarHBondContact O-CD1 3.38Å; L9-Y243 WeakPolarHBondContact O-CE1 3.11Å |
| 10 | K | 91.6 | Very high | 85.5 | Confident | 93 Ų | 93 | 65.6 Ų | 65.6 | 40% | 0.404 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -58.8 | -28.2 | 174.3 | 78.3 | -167.9 | 178.5 | -179.6 | 0 | 112.6 | Y8 C12 V89 | Y8-K10 VanDerWaalsContact C-N 3.31Å; Y8-K10 PolarHBondContact O-N 3.23Å; K10-C12 VanDerWaalsContact C-N 3.29Å; K10-V89 HydrophobicContact CB-CG1 3.86Å |
| 11 | D | 91.5 | Very high | 85.8 | Confident | 62 Ų | 62 | 65 Ų | 65 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -82.3 | -10.5 | -179.4 | -45.9 | -31.8 | 0 | 0 | 0 | 111.5 | L3 Y8 L9 V13 | L3-D11 WeakPolarHBondContact CD1-O 3.39Å; L3-D11 HydrophobicContact CD2-CB 4.15Å; Y8-D11 VanDerWaalsContact CB-OD2 3.32Å; Y8-D11 WeakPolarHBondContact CB-OD2 3.43Å; Y8-D11 WeakPolarHBondContact CD2-OD2 3.32Å; Y8-D11 PolarHBondContact N-OD2 3.04Å; Y8-D11 WeakPolarHBondContact O-CB 3.15Å; Y8-D11 PolarHBondContact O-N 2.87Å; Y8-D11 VanDerWaalsContact O-N 3.1Å; L9-D11 PolarHBondContact O-N 3.14Å; D11-V13 PolarHBondContact O-N 3.24Å |
| 12 | C | 92.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | trans | -80 | 44.3 | 178.3 | -63.8 | 0 | 0 | 0 | 0 | 113.1 | L9 K10 V207 Y243 L247 | L9-C12 VanDerWaalsContact O-CB 3.31Å; L9-C12 WeakPolarHBondContact O-CB 3.46Å; L9-C12 PolarHBondContact O-N 3.34Å; K10-C12 VanDerWaalsContact C-N 3.29Å; C12-V207 HydrophobicContact CB-CG1 3.8Å; C12-Y243 HydrophobicContact CB-CD1 3.98Å; C12-L247 PolarHBondContact O-N 3.3Å | ||
| 13 | V | 93.8 | Very high | 89.1 | Confident | 19 Ų | 19 | 55 Ų | 55 | 12% | 0.115 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -120 | 133.7 | 169.1 | -174.1 | 0 | 0 | 0 | 0 | 107.3 | D11 Y41 H86 L246 | D11-V13 PolarHBondContact O-N 3.24Å; V13-Y41 HydrophobicContact CG1-CE2 3.86Å; V13-H86 WeakPolarHBondContact CG2-CE1 3.41Å; V13-L246 HydrophobicContact CG1-CB 4.45Å; V13-L246 HydrophobicContact CG2-CB 4.21Å; V13-L246 HydrophobicContact CG2-CD1 4.29Å |
| 14 | S | 92 | Very high | 90.2 | Very high | 10 Ų | 10 | 53 Ų | 53 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | trans | -62.2 | 127.7 | -179.8 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | N16 W17 L246 L247 | S14-N16 PolarHBondContact O-N 3.34Å; S14-N16 VanDerWaalsContact O-N 3.1Å; S14-N16 PolarHBondContact OG-N 3.45Å; S14-W17 VanDerWaalsContact O-CD1 3.27Å; S14-L246 PolarHBondContact N-O 3.26Å; S14-L247 WeakPolarHBondContact CB-O 3.45Å | ||
| 15 | P | 89.7 | Confident | 91.2 | Very high | 118 Ų | 118 | 48.5 Ų | 48.5 | 77% | 0.766 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -4.1 | 172.6 | 31.1 | -36.2 | 0 | 0 | 0 | 112.8 | ||
| 16 | N | 90.1 | Very high | 91.9 | Very high | 104 Ų | 104 | 48.3 Ų | 48.3 | 56% | 0.556 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 11.4 | -173.5 | -52.6 | -42.3 | 0 | 0 | 0 | 113.2 | S14 R249 | S14-N16 PolarHBondContact O-N 3.34Å; S14-N16 VanDerWaalsContact O-N 3.1Å; S14-N16 PolarHBondContact OG-N 3.45Å; N16-R249 VanDerWaalsContact O-CD 3.31Å; N16-R249 WeakPolarHBondContact O-CD 3.08Å; N16-R249 PolarHBondContact O-NE 3.09Å; N16-R249 PolarHBondContact O-NH1 2.85Å |
| 17 | W | 91 | Very high | 92.6 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 8% | 0.076 | 24% | 0.238 | C | C | . | . | trans | -65.7 | 138.3 | 175.5 | -80.4 | 102.8 | 0 | 0 | 0 | 110.8 | S14 E21 C23 Y41 L246 R249 | S14-W17 VanDerWaalsContact O-CD1 3.27Å; W17-E21 HydrophobicContact CE3-CB 3.68Å; W17-E21 HydrophobicContact CE3-CG 4.49Å; W17-E21 HydrophobicContact CZ3-CB 3.83Å; W17-C23 HydrophobicContact CH2-CB 4.47Å; W17-Y41 HydrophobicContact CB-CD1 3.55Å; W17-Y41 HydrophobicContact CB-CD2 3.52Å; W17-Y41 HydrophobicContact CB-CE1 3.74Å; W17-Y41 HydrophobicContact CB-CE2 3.7Å; W17-Y41 HydrophobicContact CB-CG 3.45Å; W17-Y41 VanDerWaalsContact CB-CG 3.45Å; W17-Y41 AromaticContact CD1-CD2 3.58Å; W17-Y41 AromaticContact CD1-CE2 3.28Å; W17-Y41 AromaticContact CD1-CZ 3.92Å; W17-Y41 AromaticContact CD2-CD2 3.54Å; W17-Y41 HydrophobicContact CD2-CD2 3.54Å; W17-Y41 HydrophobicContact CD2-CE2 4.08Å; W17-Y41 HydrophobicContact CD2-CG 4.07Å; W17-Y41 AromaticContact CE2-CD2 3.96Å; W17-Y41 HydrophobicContact CE3-CD2 4.09Å; W17-Y41 HydrophobicContact CE3-CG 4.31Å; W17-Y41 HydrophobicContact CG-CD1 4.29Å; W17-Y41 AromaticContact CG-CD2 3.31Å; W17-Y41 HydrophobicContact CG-CD2 3.31Å; W17-Y41 HydrophobicContact CG-CE1 4.43Å; W17-Y41 AromaticContact CG-CE2 3.47Å; W17-Y41 HydrophobicContact CG-CE2 3.47Å; W17-Y41 VanDerWaalsContact CG-CE2 3.47Å; W17-Y41 AromaticContact CG-CG 3.77Å; W17-Y41 HydrophobicContact CG-CG 3.77Å; W17-Y41 AromaticContact NE1-CE2 3.86Å; W17-L246 PolarHBondContact NE1-O 2.86Å; W17-R249 HydrophobicContact CD2-CB 4.43Å; W17-R249 HydrophobicContact CD2-CG 3.8Å; W17-R249 HydrophobicContact CE3-CG 4.26Å; W17-R249 HydrophobicContact CG-CG 3.95Å | ||
| 18 | E | 93.5 | Very high | 92.9 | Very high | 111 Ų | 111 | 47.6 Ų | 47.6 | 52% | 0.519 | 25% | 0.253 | S | S | . | . | trans | -87.2 | 143.2 | 169.9 | -55.4 | -65 | 158 | 0 | 0 | 110.2 | N20 E21 | E18-N20 PolarHBondContact O-N 3.43Å; E18-E21 HydrophobicContact CB-CG 4.04Å; E18-E21 PolarHBondContact N-OE2 2.76Å; E18-E21 WeakPolarHBondContact O-CB 3.42Å; E18-E21 PolarHBondContact O-N 3.33Å | ||
| 19 | P | 93.4 | Very high | 92.9 | Very high | 63 Ų | 63 | 45.4 Ų | 45.4 | 41% | 0.409 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -38.2 | -175.1 | -30.6 | 36 | 0 | 0 | 0 | 115 | T40 Y41 E42 | P19-T40 WeakPolarHBondContact O-CB 3.49Å; P19-Y41 PolarHBondContact O-N 3.36Å; P19-E42 HydrophobicContact CB-CB 4.09Å; P19-E42 WeakPolarHBondContact O-CB 3.42Å; P19-E42 PolarHBondContact O-N 3.41Å |
| 20 | N | 93.5 | Very high | 92.7 | Very high | 132 Ų | 132 | 47.1 Ų | 47.1 | 71% | 0.706 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -1.6 | -176.1 | -68.3 | -49.5 | 0 | 0 | 0 | 114.9 | E18 | E18-N20 PolarHBondContact O-N 3.43Š|
| 21 | E | 92.8 | Very high | 92.5 | Very high | 53 Ų | 53 | 44.4 Ų | 44.4 | 25% | 0.248 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -72.7 | 140.9 | -179.1 | -80.2 | -178.8 | 134.1 | 0 | 0 | 112.4 | W17 E18 C23 T40 Y41 R249 | W17-E21 HydrophobicContact CE3-CB 3.68Å; W17-E21 HydrophobicContact CE3-CG 4.49Å; W17-E21 HydrophobicContact CZ3-CB 3.83Å; E18-E21 HydrophobicContact CB-CG 4.04Å; E18-E21 PolarHBondContact N-OE2 2.76Å; E18-E21 WeakPolarHBondContact O-CB 3.42Å; E18-E21 PolarHBondContact O-N 3.33Å; E21-C23 PolarHBondContact O-N 3.12Å; E21-T40 CarbonylContact O-C 3.59Å; E21-T40 VanDerWaalsContact O-CA 3.29Å; E21-T40 WeakPolarHBondContact O-CA 3.47Å; E21-Y41 PolarHBondContact O-N 2.93Å; E21-R249 IonicContact OE1-CZ 2.72Å; E21-R249 IonicContact OE1-NE 3.09Å; E21-R249 IonicContact OE1-NH2 3.36Å; E21-R249 PolarHBondContact OE1-NH2 2.83Å; E21-R249 IonicContact OE2-CZ 3.51Å; E21-R249 IonicContact OE2-NE 3.52Å; E21-R249 PolarHBondContact OE2-NE 3.32Å; E21-R249 IonicContact OE2-NH2 2.7Å; E21-R249 PolarHBondContact OE2-NH2 3.23Å; E21-R249 VanDerWaalsContact OE2-NH2 3.09Å |
| 22 | N | 94.2 | Very high | 92.2 | Very high | 45 Ų | 45 | 48.7 Ų | 48.7 | 24% | 0.241 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 100.3 | 174.7 | -69.1 | 15.2 | 0 | 0 | 0 | 110.1 | E25 I38 T251 | N22-E25 PolarHBondContact ND2-OE1 3.14Å; N22-I38 HydrophobicContact CB-CG2 4.2Å; N22-I38 VanDerWaalsContact CG-CG2 3.46Å; N22-I38 WeakPolarHBondContact OD1-CG2 3.19Å; N22-T251 HydrophobicContact CB-CG2 3.8Å; N22-T251 WeakPolarHBondContact O-CA 3.27Å; N22-T251 VanDerWaalsContact O-CB 3.29Å; N22-T251 WeakPolarHBondContact O-CB 3.49Å; N22-T251 WeakPolarHBondContact O-CG2 3.44Å; N22-T251 PolarHBondContact O-OG1 2.84Å |
| 23 | C | 94.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.007 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | -42.2 | 175.1 | -178.3 | 0 | 0 | 0 | 0 | 111 | W17 E21 L39 F44 N82 L246 L252 | W17-C23 HydrophobicContact CH2-CB 4.47Å; E21-C23 PolarHBondContact O-N 3.12Å; C23-L39 WeakPolarHBondContact CB-O 3.46Å; C23-L39 PolarHBondContact N-O 2.98Å; C23-F44 HydrophobicContact CB-CB 4.06Å; C23-F44 HydrophobicContact CB-CG 4.47Å; C23-F44 VanDerWaalsContact SG-CG 3.51Å; C23-N82 PolarHBondContact SG-ND2 3.26Å; C23-L246 VanDerWaalsContact SG-CD2 3.58Å; C23-L252 PolarHBondContact O-N 2.84Å |
| 24 | A | 97.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 153.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | L39 I79 L252 | A24-L39 HydrophobicContact CB-CB 4.27Å; A24-L39 HydrophobicContact CB-CD2 4.49Å; A24-L39 PolarHBondContact N-O 3.45Å; A24-L39 VanDerWaalsContact N-O 3.16Å; A24-L39 PolarHBondContact O-N 2.96Å; A24-I79 HydrophobicContact CB-CD1 4.08Å; A24-L252 CarbonylContact C-O 3.4Å; A24-L252 VanDerWaalsContact CA-O 3.27Å; A24-L252 WeakPolarHBondContact CA-O 3.3Å; A24-L252 HydrophobicContact CB-CB 4.2Å |
| 25 | E | 96.8 | Very high | 90.1 | Very high | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.047 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 125.5 | 170.3 | -73.8 | -174.9 | -176.9 | 0 | 0 | 109.8 | N22 W27 R32 V36 E37 I38 T251 L252 I254 | N22-E25 PolarHBondContact ND2-OE1 3.14Å; E25-W27 PolarHBondContact OE2-NE1 3.13Å; E25-R32 IonicContact OE1-NH2 2.71Å; E25-R32 PolarHBondContact OE1-NH2 3.13Å; E25-R32 VanDerWaalsContact OE1-NH2 3.11Å; E25-R32 IonicContact OE2-NH2 2.85Å; E25-V36 HydrophobicContact CB-CG1 3.95Å; E25-V36 HydrophobicContact CG-CG1 4.13Å; E25-E37 CarbonylContact C-O 3.51Å; E25-E37 VanDerWaalsContact CA-O 3.3Å; E25-E37 WeakPolarHBondContact CA-O 3.38Å; E25-I38 HydrophobicContact CG-CG1 4.31Å; E25-T251 HydrophobicContact CB-CG2 4.21Å; E25-T251 HydrophobicContact CG-CG2 3.73Å; E25-L252 PolarHBondContact N-O 3.12Å; E25-I254 PolarHBondContact O-N 3.28Å |
| 26 | F | 96.2 | Very high | 90.1 | Very high | 40 Ų | 40 | 54.6 Ų | 54.6 | 18% | 0.175 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 114.6 | 172.7 | 176.5 | -102.5 | 0 | 0 | 0 | 110.5 | V36 E37 P77 I79 I254 P256 | F26-V36 VanDerWaalsContact O-CA 3.31Å; F26-V36 WeakPolarHBondContact O-CA 3.32Å; F26-E37 HydrophobicContact CB-CB 4.33Å; F26-E37 PolarHBondContact N-O 2.86Å; F26-E37 PolarHBondContact O-N 3.24Å; F26-P77 HydrophobicContact CE2-CB 4.08Å; F26-P77 WeakPolarHBondContact CE2-O 3.13Å; F26-I79 HydrophobicContact CB-CB 4.01Å; F26-I79 HydrophobicContact CB-CD1 3.8Å; F26-I79 HydrophobicContact CB-CG1 4.48Å; F26-I254 CarbonylContact C-O 3.56Å; F26-I254 WeakPolarHBondContact CA-O 3.41Å; F26-I254 HydrophobicContact CD2-CB 4.11Å; F26-I254 HydrophobicContact CD2-CG2 3.83Å; F26-I254 HydrophobicContact CE2-CG2 4.35Å; F26-P256 HydrophobicContact CZ-CG 4.25Å |
| 27 | W | 95.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 110.2 | -178.3 | -71.5 | 62.4 | 0 | 0 | 0 | 110.1 | E25 G29 R32 V36 V253 I254 C255 P256 L269 N272 A273 | E25-W27 PolarHBondContact OE2-NE1 3.13Å; W27-G29 VanDerWaalsContact C-N 3.29Å; W27-R32 HydrophobicContact CH2-CG 3.65Å; W27-R32 HydrophobicContact CZ2-CG 4.11Å; W27-R32 HydrophobicContact CZ3-CG 4.27Å; W27-V36 HydrophobicContact CD2-CG1 4.43Å; W27-V36 HydrophobicContact CD2-CG2 3.42Å; W27-V36 VanDerWaalsContact CD2-CG2 3.42Å; W27-V36 HydrophobicContact CE3-CG2 3.73Å; W27-V36 HydrophobicContact CG-CG1 4.34Å; W27-V36 HydrophobicContact CG-CG2 3.8Å; W27-V36 HydrophobicContact CH2-CG2 4.3Å; W27-V36 HydrophobicContact CZ2-CG2 4.01Å; W27-V36 HydrophobicContact CZ3-CG2 4.17Å; W27-V253 HydrophobicContact CG-CG1 4.44Å; W27-I254 PolarHBondContact N-O 2.96Å; W27-C255 HydrophobicContact CB-CB 4.28Å; W27-C255 WeakPolarHBondContact O-CA 3.46Å; W27-C255 VanDerWaalsContact O-CB 3.26Å; W27-C255 WeakPolarHBondContact O-CB 3.45Å; W27-P256 WeakPolarHBondContact O-CD 3.43Å; W27-L269 HydrophobicContact CB-CD1 3.78Å; W27-L269 HydrophobicContact CD2-CD1 3.49Å; W27-L269 VanDerWaalsContact CD2-CD1 3.49Å; W27-L269 HydrophobicContact CE3-CD1 3.48Å; W27-L269 VanDerWaalsContact CE3-CD1 3.48Å; W27-L269 HydrophobicContact CG-CD1 3.63Å; W27-L269 HydrophobicContact CZ3-CD1 4.25Å; W27-N272 HydrophobicContact CH2-CB 3.96Å; W27-N272 WeakPolarHBondContact CH2-O 3.43Å; W27-N272 HydrophobicContact CZ3-CB 3.94Å; W27-A273 HydrophobicContact CD2-CB 4.3Å; W27-A273 HydrophobicContact CH2-CB 4.04Å; W27-A273 HydrophobicContact CZ2-CB 3.49Å; W27-A273 VanDerWaalsContact CZ2-CB 3.49Å |
| 28 | S | 89.8 | Confident | 90.5 | Very high | 57 Ų | 57 | 55.9 Ų | 55.9 | 40% | 0.399 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -70.7 | -27.6 | 176.2 | 66.9 | 0 | 0 | 0 | 0 | 112.6 | S34 G35 | S28-S34 PolarHBondContact OG-O 3.11Å; S28-G35 PolarHBondContact N-O 3.4Å; S28-G35 PolarHBondContact OG-O 3.04Å; S28-G35 VanDerWaalsContact OG-O 3.09Å |
| 29 | G | 89.3 | Confident | 90.6 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 16% | 0.155 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -136.3 | -148.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | W27 S34 I259 | W27-G29 VanDerWaalsContact C-N 3.29Å; G29-S34 WeakPolarHBondContact CA-OG 3.49Å; G29-I259 WeakPolarHBondContact O-CD1 3.3Å |
| 30 | T | 88.2 | Confident | 90.8 | Very high | 37 Ų | 37 | 49.3 Ų | 49.3 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -118.7 | 3.2 | -174.6 | 59.1 | 0 | 0 | 0 | 0 | 115 | S34 I259 T265 L269 N272 | T30-S34 PolarHBondContact N-OG 2.89Å; T30-I259 HydrophobicContact CG2-CD1 4.49Å; T30-I259 HydrophobicContact CG2-CG2 3.86Å; T30-T265 HydrophobicContact CG2-CG2 4.11Å; T30-L269 HydrophobicContact CG2-CB 4.45Å; T30-N272 PolarHBondContact O-ND2 2.87Å |
| 31 | S | 86.7 | Confident | 90.9 | Very high | 36 Ų | 36 | 44.6 Ų | 44.6 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -130.6 | 159.6 | 170.6 | 74.1 | 0 | 0 | 0 | 0 | 110.5 | D33 S34 | S31-D33 WeakPolarHBondContact CB-OD2 3.46Å; S31-D33 PolarHBondContact O-N 3.01Å; S31-D33 PolarHBondContact OG-OD2 3.09Å; S31-S34 PolarHBondContact N-OG 3.12Å; S31-S34 PolarHBondContact O-N 3.14Å; S31-S34 PolarHBondContact O-OG 3.29Å |
| 32 | R | 84.4 | Confident | 91.1 | Very high | 152 Ų | 152 | 46.7 Ų | 46.7 | 57% | 0.574 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -60.9 | -32.4 | 178.8 | -73.8 | -171.4 | 161.5 | -165.9 | -10.6 | 112.1 | E25 W27 S34 G35 V36 | E25-R32 IonicContact OE1-NH2 2.71Å; E25-R32 PolarHBondContact OE1-NH2 3.13Å; E25-R32 VanDerWaalsContact OE1-NH2 3.11Å; E25-R32 IonicContact OE2-NH2 2.85Å; W27-R32 HydrophobicContact CH2-CG 3.65Å; W27-R32 HydrophobicContact CZ2-CG 4.11Å; W27-R32 HydrophobicContact CZ3-CG 4.27Å; R32-S34 PolarHBondContact O-N 2.64Å; R32-G35 PolarHBondContact O-N 3.02Å; R32-G35 VanDerWaalsContact O-N 3.12Å; R32-V36 HydrophobicContact CG-CG2 4.22Å |
| 33 | D | 79.2 | Confident | 91.1 | Very high | 148 Ų | 148 | 47.6 Ų | 47.6 | 79% | 0.791 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -66.3 | -19.3 | 176.7 | -13.6 | -84.6 | 0 | 0 | 0 | 113.7 | S31 G35 | S31-D33 WeakPolarHBondContact CB-OD2 3.46Å; S31-D33 PolarHBondContact O-N 3.01Å; S31-D33 PolarHBondContact OG-OD2 3.09Å; D33-G35 VanDerWaalsContact C-N 3.25Å; D33-G35 PolarHBondContact O-N 2.77Å |
| 34 | S | 73.4 | Confident | 91.2 | Very high | 53 Ų | 53 | 47.7 Ų | 47.7 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -78.2 | -9.1 | 174.4 | 57.9 | 0 | 0 | 0 | 0 | 114 | S28 G29 T30 S31 R32 | S28-S34 PolarHBondContact OG-O 3.11Å; G29-S34 WeakPolarHBondContact CA-OG 3.49Å; T30-S34 PolarHBondContact N-OG 2.89Å; S31-S34 PolarHBondContact N-OG 3.12Å; S31-S34 PolarHBondContact O-N 3.14Å; S31-S34 PolarHBondContact O-OG 3.29Å; R32-S34 PolarHBondContact O-N 2.64Å |
| 35 | G | 81.6 | Confident | 91.1 | Very high | 35 Ų | 35 | 51.3 Ų | 51.3 | 36% | 0.361 | 27% | 0.274 | S | S | . | . | trans | 107.2 | 117.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S28 R32 D33 | S28-G35 PolarHBondContact N-O 3.4Å; S28-G35 PolarHBondContact OG-O 3.04Å; S28-G35 VanDerWaalsContact OG-O 3.09Å; R32-G35 PolarHBondContact O-N 3.02Å; R32-G35 VanDerWaalsContact O-N 3.12Å; D33-G35 VanDerWaalsContact C-N 3.25Å; D33-G35 PolarHBondContact O-N 2.77Å | ||
| 36 | V | 91.7 | Very high | 91 | Very high | 34 Ų | 34 | 54.6 Ų | 54.6 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 115.8 | 170.8 | 178.3 | 0 | 0 | 0 | 0 | 108 | E25 F26 W27 R32 I38 | E25-V36 HydrophobicContact CB-CG1 3.95Å; E25-V36 HydrophobicContact CG-CG1 4.13Å; F26-V36 VanDerWaalsContact O-CA 3.31Å; F26-V36 WeakPolarHBondContact O-CA 3.32Å; W27-V36 HydrophobicContact CD2-CG1 4.43Å; W27-V36 HydrophobicContact CD2-CG2 3.42Å; W27-V36 VanDerWaalsContact CD2-CG2 3.42Å; W27-V36 HydrophobicContact CE3-CG2 3.73Å; W27-V36 HydrophobicContact CG-CG1 4.34Å; W27-V36 HydrophobicContact CG-CG2 3.8Å; W27-V36 HydrophobicContact CH2-CG2 4.3Å; W27-V36 HydrophobicContact CZ2-CG2 4.01Å; W27-V36 HydrophobicContact CZ3-CG2 4.17Å; R32-V36 HydrophobicContact CG-CG2 4.22Å; V36-I38 HydrophobicContact CG1-CG1 4.31Å |
| 37 | E | 94.1 | Very high | 91 | Very high | 68 Ų | 68 | 53.1 Ų | 53.1 | 32% | 0.318 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 141 | 169.5 | -169.8 | -179 | -174.4 | 0 | 0 | 109.2 | E25 F26 I79 R149 | E25-E37 CarbonylContact C-O 3.51Å; E25-E37 VanDerWaalsContact CA-O 3.3Å; E25-E37 WeakPolarHBondContact CA-O 3.38Å; F26-E37 HydrophobicContact CB-CB 4.33Å; F26-E37 PolarHBondContact N-O 2.86Å; F26-E37 PolarHBondContact O-N 3.24Å; E37-I79 HydrophobicContact CG-CG1 4.27Å; E37-I79 VanDerWaalsContact OE2-CG2 3.29Å; E37-I79 WeakPolarHBondContact OE2-CG2 3.45Å; E37-R149 IonicContact OE1-CZ 2.74Å; E37-R149 VanDerWaalsContact OE1-CZ 3.23Å; E37-R149 IonicContact OE1-NH1 2.67Å; E37-R149 PolarHBondContact OE1-NH1 2.96Å; E37-R149 IonicContact OE1-NH2 3.09Å; E37-R149 PolarHBondContact OE1-NH2 3.32Å; E37-R149 IonicContact OE2-NH2 3.49Å; E37-R149 PolarHBondContact OE2-NH2 2.88Å |
| 38 | I | 94.8 | Very high | 91 | Very high | 83 Ų | 83 | 53.1 Ų | 53.1 | 43% | 0.426 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 132.2 | -175.3 | -54 | -179.7 | 0 | 0 | 0 | 109.2 | N22 E25 V36 | N22-I38 HydrophobicContact CB-CG2 4.2Å; N22-I38 VanDerWaalsContact CG-CG2 3.46Å; N22-I38 WeakPolarHBondContact OD1-CG2 3.19Å; E25-I38 HydrophobicContact CG-CG1 4.31Å; V36-I38 HydrophobicContact CG1-CG1 4.31Å |
| 39 | L | 96 | Very high | 91.3 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 114.8 | 170.8 | -175.4 | 72.6 | 0 | 0 | 0 | 108.9 | C23 A24 K43 F44 Y47 I79 V83 | C23-L39 WeakPolarHBondContact CB-O 3.46Å; C23-L39 PolarHBondContact N-O 2.98Å; A24-L39 HydrophobicContact CB-CB 4.27Å; A24-L39 HydrophobicContact CB-CD2 4.49Å; A24-L39 PolarHBondContact N-O 3.45Å; A24-L39 VanDerWaalsContact N-O 3.16Å; A24-L39 PolarHBondContact O-N 2.96Å; L39-K43 HydrophobicContact CD1-CB 3.65Å; L39-F44 HydrophobicContact CD2-CB 3.85Å; L39-F44 HydrophobicContact CD2-CD2 4.46Å; L39-F44 HydrophobicContact CG-CB 4.13Å; L39-Y47 HydrophobicContact CD1-CD2 3.88Å; L39-Y47 HydrophobicContact CD1-CE2 3.79Å; L39-I79 HydrophobicContact CB-CD1 3.95Å; L39-I79 HydrophobicContact CB-CG1 3.83Å; L39-V83 HydrophobicContact CD2-CG2 3.54Å |
| 40 | T | 96.5 | Very high | 91.4 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 20% | 0.202 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 160.7 | 172.9 | 57.7 | 0 | 0 | 0 | 0 | 111 | P19 E21 E42 K43 F44 | P19-T40 WeakPolarHBondContact O-CB 3.49Å; E21-T40 CarbonylContact O-C 3.59Å; E21-T40 VanDerWaalsContact O-CA 3.29Å; E21-T40 WeakPolarHBondContact O-CA 3.47Å; T40-E42 VanDerWaalsContact C-N 3.3Å; T40-E42 PolarHBondContact O-N 3.37Å; T40-K43 PolarHBondContact O-N 3.29Å; T40-K43 PolarHBondContact OG1-N 3.5Å; T40-F44 WeakPolarHBondContact O-CB 3.18Å; T40-F44 PolarHBondContact O-N 2.77Å |
| 41 | Y | 96.3 | Very high | 91.7 | Very high | 32 Ų | 32 | 52 Ų | 52 | 13% | 0.125 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 176.1 | -177.2 | -98.3 | 0 | 0 | 0 | 112.3 | V13 W17 P19 E21 K43 F44 Q45 | V13-Y41 HydrophobicContact CG1-CE2 3.86Å; W17-Y41 HydrophobicContact CB-CD1 3.55Å; W17-Y41 HydrophobicContact CB-CD2 3.52Å; W17-Y41 HydrophobicContact CB-CE1 3.74Å; W17-Y41 HydrophobicContact CB-CE2 3.7Å; W17-Y41 HydrophobicContact CB-CG 3.45Å; W17-Y41 VanDerWaalsContact CB-CG 3.45Å; W17-Y41 AromaticContact CD1-CD2 3.58Å; W17-Y41 AromaticContact CD1-CE2 3.28Å; W17-Y41 AromaticContact CD1-CZ 3.92Å; W17-Y41 AromaticContact CD2-CD2 3.54Å; W17-Y41 HydrophobicContact CD2-CD2 3.54Å; W17-Y41 HydrophobicContact CD2-CE2 4.08Å; W17-Y41 HydrophobicContact CD2-CG 4.07Å; W17-Y41 AromaticContact CE2-CD2 3.96Å; W17-Y41 HydrophobicContact CE3-CD2 4.09Å; W17-Y41 HydrophobicContact CE3-CG 4.31Å; W17-Y41 HydrophobicContact CG-CD1 4.29Å; W17-Y41 AromaticContact CG-CD2 3.31Å; W17-Y41 HydrophobicContact CG-CD2 3.31Å; W17-Y41 HydrophobicContact CG-CE1 4.43Å; W17-Y41 AromaticContact CG-CE2 3.47Å; W17-Y41 HydrophobicContact CG-CE2 3.47Å; W17-Y41 VanDerWaalsContact CG-CE2 3.47Å; W17-Y41 AromaticContact CG-CG 3.77Å; W17-Y41 HydrophobicContact CG-CG 3.77Å; W17-Y41 AromaticContact NE1-CE2 3.86Å; P19-Y41 PolarHBondContact O-N 3.36Å; E21-Y41 PolarHBondContact O-N 2.93Å; Y41-K43 PolarHBondContact O-N 2.87Å; Y41-F44 AromaticContact CD2-CD1 3.89Å; Y41-F44 HydrophobicContact CD2-CD1 3.89Å; Y41-F44 HydrophobicContact CD2-CE1 4.47Å; Y41-F44 AromaticContact CE2-CD1 3.79Å; Y41-F44 HydrophobicContact CE2-CD1 3.79Å; Y41-F44 AromaticContact CE2-CE1 3.96Å; Y41-F44 HydrophobicContact CE2-CE1 3.96Å; Y41-F44 WeakPolarHBondContact O-CB 3.29Å; Y41-F44 PolarHBondContact O-N 3.4Å; Y41-Q45 PolarHBondContact O-N 3.13Å |
| 42 | E | 95.7 | Very high | 92 | Very high | 97 Ų | 97 | 50.5 Ų | 50.5 | 45% | 0.453 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55.1 | -51.8 | 173.4 | -177.9 | 178.8 | -132.6 | 0 | 0 | 112.3 | P19 T40 F44 Q45 N46 | P19-E42 HydrophobicContact CB-CB 4.09Å; P19-E42 WeakPolarHBondContact O-CB 3.42Å; P19-E42 PolarHBondContact O-N 3.41Å; T40-E42 VanDerWaalsContact C-N 3.3Å; T40-E42 PolarHBondContact O-N 3.37Å; E42-F44 PolarHBondContact O-N 3.28Å; E42-Q45 PolarHBondContact O-N 2.77Å; E42-N46 WeakPolarHBondContact O-CB 3.42Å; E42-N46 VanDerWaalsContact O-CG 3.25Å; E42-N46 PolarHBondContact O-N 3.37Å; E42-N46 PolarHBondContact O-OD1 2.89Å |
| 43 | K | 95.3 | Very high | 92.2 | Very high | 65 Ų | 65 | 50.2 Ų | 50.2 | 28% | 0.283 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.4 | -36 | 178.4 | -72 | -167.7 | 169.8 | -164.8 | 0 | 112.4 | L39 T40 Y41 Q45 Y47 D144 | L39-K43 HydrophobicContact CD1-CB 3.65Å; T40-K43 PolarHBondContact O-N 3.29Å; T40-K43 PolarHBondContact OG1-N 3.5Å; Y41-K43 PolarHBondContact O-N 2.87Å; K43-Q45 VanDerWaalsContact C-N 3.33Å; K43-Q45 PolarHBondContact O-N 3.25Å; K43-Y47 HydrophobicContact CB-CD2 4.44Å; K43-Y47 HydrophobicContact CB-CE2 4.1Å; K43-Y47 VanDerWaalsContact O-CB 3.24Å; K43-Y47 WeakPolarHBondContact O-CB 3.48Å; K43-Y47 VanDerWaalsContact O-CD2 3.27Å; K43-Y47 WeakPolarHBondContact O-CD2 3.38Å; K43-Y47 PolarHBondContact O-N 3.17Å; K43-D144 VanDerWaalsContact CE-OD1 3.3Å; K43-D144 WeakPolarHBondContact CE-OD1 3.46Å; K43-D144 IonicContact NZ-OD1 2.57Å; K43-D144 PolarHBondContact NZ-OD1 3.29Å |
| 44 | F | 96.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.4 | -45.1 | 171.6 | 161.2 | -98.5 | 0 | 0 | 0 | 111.8 | C23 L39 T40 Y41 E42 S48 N82 V83 H86 L246 | C23-F44 HydrophobicContact CB-CB 4.06Å; C23-F44 HydrophobicContact CB-CG 4.47Å; C23-F44 VanDerWaalsContact SG-CG 3.51Å; L39-F44 HydrophobicContact CD2-CB 3.85Å; L39-F44 HydrophobicContact CD2-CD2 4.46Å; L39-F44 HydrophobicContact CG-CB 4.13Å; T40-F44 WeakPolarHBondContact O-CB 3.18Å; T40-F44 PolarHBondContact O-N 2.77Å; Y41-F44 AromaticContact CD2-CD1 3.89Å; Y41-F44 HydrophobicContact CD2-CD1 3.89Å; Y41-F44 HydrophobicContact CD2-CE1 4.47Å; Y41-F44 AromaticContact CE2-CD1 3.79Å; Y41-F44 HydrophobicContact CE2-CD1 3.79Å; Y41-F44 AromaticContact CE2-CE1 3.96Å; Y41-F44 HydrophobicContact CE2-CE1 3.96Å; Y41-F44 WeakPolarHBondContact O-CB 3.29Å; Y41-F44 PolarHBondContact O-N 3.4Å; E42-F44 PolarHBondContact O-N 3.28Å; F44-S48 VanDerWaalsContact O-CB 3.26Å; F44-S48 WeakPolarHBondContact O-CB 3.36Å; F44-S48 PolarHBondContact O-N 2.72Å; F44-S48 VanDerWaalsContact O-N 3.09Å; F44-S48 PolarHBondContact O-OG 3.26Å; F44-N82 HydrophobicContact CD2-CB 4.42Å; F44-N82 WeakPolarHBondContact CD2-ND2 3.47Å; F44-N82 HydrophobicContact CE2-CB 4.17Å; F44-V83 HydrophobicContact CD2-CG2 3.91Å; F44-H86 HydrophobicContact CE2-CB 3.83Å; F44-H86 HydrophobicContact CZ-CB 3.77Å; F44-H86 AromaticContact CZ-CD2 3.66Å; F44-H86 AromaticContact CZ-CG 3.62Å; F44-L246 HydrophobicContact CD1-CD2 4.27Å; F44-L246 HydrophobicContact CE1-CD2 3.67Å; F44-L246 HydrophobicContact CE2-CD1 4.23Å; F44-L246 HydrophobicContact CE2-CD2 3.94Å; F44-L246 HydrophobicContact CZ-CD1 3.79Å; F44-L246 HydrophobicContact CZ-CD2 3.48Å; F44-L246 VanDerWaalsContact CZ-CD2 3.48Å; F44-L246 HydrophobicContact CZ-CG 4.31Å |
| 45 | Q | 95.5 | Very high | 93.3 | Very high | 77 Ų | 77 | 41.2 Ų | 41.2 | 36% | 0.36 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.6 | -53.8 | 179.6 | -178.3 | 170.2 | -29.4 | 0 | 0 | 111 | Y41 E42 K43 Y47 S48 D49 | Y41-Q45 PolarHBondContact O-N 3.13Å; E42-Q45 PolarHBondContact O-N 2.77Å; K43-Q45 VanDerWaalsContact C-N 3.33Å; K43-Q45 PolarHBondContact O-N 3.25Å; Q45-Y47 PolarHBondContact O-N 3.43Å; Q45-S48 WeakPolarHBondContact O-CB 3.5Å; Q45-S48 PolarHBondContact O-N 2.85Å; Q45-S48 VanDerWaalsContact O-N 3.07Å; Q45-D49 PolarHBondContact O-N 3.23Å |
| 46 | N | 94.8 | Very high | 93.5 | Very high | 78 Ų | 78 | 45.1 Ų | 45.1 | 42% | 0.417 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.1 | -49 | -178.3 | -65.6 | -6.6 | 0 | 0 | 0 | 111.6 | E42 S48 D49 E50 | E42-N46 WeakPolarHBondContact O-CB 3.42Å; E42-N46 VanDerWaalsContact O-CG 3.25Å; E42-N46 PolarHBondContact O-N 3.37Å; E42-N46 PolarHBondContact O-OD1 2.89Å; N46-S48 VanDerWaalsContact C-N 3.31Å; N46-S48 PolarHBondContact O-N 2.98Å; N46-D49 PolarHBondContact O-N 3.39Å; N46-E50 WeakPolarHBondContact O-CG 3.39Å; N46-E50 PolarHBondContact O-N 2.86Å |
| 47 | Y | 96.1 | Very high | 93.1 | Very high | 9 Ų | 9 | 52.7 Ų | 52.7 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.1 | -33.5 | 177.6 | -62.7 | -18.3 | 0 | 0 | 0 | 112.9 | L39 K43 Q45 D49 L51 L80 V83 D144 S145 L146 | L39-Y47 HydrophobicContact CD1-CD2 3.88Å; L39-Y47 HydrophobicContact CD1-CE2 3.79Å; K43-Y47 HydrophobicContact CB-CD2 4.44Å; K43-Y47 HydrophobicContact CB-CE2 4.1Å; K43-Y47 VanDerWaalsContact O-CB 3.24Å; K43-Y47 WeakPolarHBondContact O-CB 3.48Å; K43-Y47 VanDerWaalsContact O-CD2 3.27Å; K43-Y47 WeakPolarHBondContact O-CD2 3.38Å; K43-Y47 PolarHBondContact O-N 3.17Å; Q45-Y47 PolarHBondContact O-N 3.43Å; Y47-D49 VanDerWaalsContact C-N 3.34Å; Y47-L51 WeakPolarHBondContact O-CB 3.48Å; Y47-L51 PolarHBondContact O-N 2.61Å; Y47-L80 HydrophobicContact CD2-CD2 3.84Å; Y47-L80 HydrophobicContact CE2-CD2 4.16Å; Y47-V83 HydrophobicContact CD2-CG2 4.43Å; Y47-D144 WeakPolarHBondContact CE1-O 3.29Å; Y47-S145 VanDerWaalsContact CE1-C 3.48Å; Y47-L146 HydrophobicContact CD1-CB 3.66Å; Y47-L146 HydrophobicContact CD2-CD1 4.42Å; Y47-L146 HydrophobicContact CE1-CB 4.32Å; Y47-L146 HydrophobicContact CG-CB 3.96Å; Y47-L146 HydrophobicContact CG-CD1 4.19Å; Y47-L146 WeakPolarHBondContact O-CD2 3.08Å |
| 48 | S | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68 | -37.9 | 175.7 | -62 | 0 | 0 | 0 | 0 | 111.1 | F44 Q45 N46 L51 V52 | F44-S48 VanDerWaalsContact O-CB 3.26Å; F44-S48 WeakPolarHBondContact O-CB 3.36Å; F44-S48 PolarHBondContact O-N 2.72Å; F44-S48 VanDerWaalsContact O-N 3.09Å; F44-S48 PolarHBondContact O-OG 3.26Å; Q45-S48 WeakPolarHBondContact O-CB 3.5Å; Q45-S48 PolarHBondContact O-N 2.85Å; Q45-S48 VanDerWaalsContact O-N 3.07Å; N46-S48 VanDerWaalsContact C-N 3.31Å; N46-S48 PolarHBondContact O-N 2.98Å; S48-L51 PolarHBondContact O-N 3.11Å; S48-V52 WeakPolarHBondContact O-CG2 3.33Å; S48-V52 PolarHBondContact O-N 3.03Å |
| 49 | D | 94.5 | Very high | 91.7 | Very high | 42 Ų | 42 | 49.1 Ų | 49.1 | 23% | 0.225 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -76.2 | -39.7 | -179.4 | -75.4 | -38.1 | 0 | 0 | 0 | 112.6 | Q45 N46 Y47 L51 V52 E53 K90 | Q45-D49 PolarHBondContact O-N 3.23Å; N46-D49 PolarHBondContact O-N 3.39Å; Y47-D49 VanDerWaalsContact C-N 3.34Å; D49-L51 PolarHBondContact O-N 3.02Å; D49-V52 WeakPolarHBondContact O-CB 3.31Å; D49-V52 PolarHBondContact O-N 3.14Å; D49-E53 PolarHBondContact O-N 3.1Å; D49-K90 WeakPolarHBondContact OD1-CE 3.28Å; D49-K90 IonicContact OD1-NZ 3.79Å; D49-K90 PolarHBondContact OD1-NZ 2.92Å; D49-K90 IonicContact OD2-NZ 2.63Å; D49-K90 PolarHBondContact OD2-NZ 3.09Å |
| 50 | E | 93.3 | Very high | 90 | Very high | 43 Ų | 43 | 52.7 Ų | 52.7 | 20% | 0.201 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.1 | -41.5 | 167 | -78.4 | -179.3 | -105.8 | 0 | 0 | 112.2 | N46 L54 S145 L146 F147 | N46-E50 WeakPolarHBondContact O-CG 3.39Å; N46-E50 PolarHBondContact O-N 2.86Å; E50-L54 PolarHBondContact O-N 2.82Å; E50-S145 WeakPolarHBondContact OE1-CA 3.36Å; E50-S145 WeakPolarHBondContact OE2-CB 3.45Å; E50-S145 PolarHBondContact OE2-OG 2.83Å; E50-L146 HydrophobicContact CB-CB 4.35Å; E50-L146 PolarHBondContact OE1-N 3.03Å; E50-L146 PolarHBondContact OE2-N 3.36Å; E50-F147 HydrophobicContact CB-CE2 4.09Å; E50-F147 WeakPolarHBondContact OE2-CD2 3.24Å |
| 51 | L | 93.3 | Very high | 88 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.9 | -34.1 | 177.2 | -175.9 | 60.9 | 0 | 0 | 0 | 112.5 | Y47 S48 D49 L55 V84 L146 | Y47-L51 WeakPolarHBondContact O-CB 3.48Å; Y47-L51 PolarHBondContact O-N 2.61Å; S48-L51 PolarHBondContact O-N 3.11Å; D49-L51 PolarHBondContact O-N 3.02Å; L51-L55 HydrophobicContact CD1-CD1 3.96Å; L51-L55 HydrophobicContact CD1-CG 3.95Å; L51-L55 HydrophobicContact CD2-CD1 4.43Å; L51-L55 HydrophobicContact CG-CD1 3.8Å; L51-L55 HydrophobicContact CG-CG 4.22Å; L51-L55 VanDerWaalsContact O-CB 3.29Å; L51-L55 WeakPolarHBondContact O-CB 3.44Å; L51-L55 VanDerWaalsContact O-CG 3.22Å; L51-L55 WeakPolarHBondContact O-CG 3.31Å; L51-L55 PolarHBondContact O-N 3.07Å; L51-V84 HydrophobicContact CD2-CB 4.45Å; L51-V84 HydrophobicContact CD2-CG2 4.31Å; L51-L146 HydrophobicContact CB-CD2 4Å |
| 52 | V | 92.3 | Very high | 85.6 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.03 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.4 | -45 | 176.4 | 165.9 | 0 | 0 | 0 | 0 | 111.5 | S48 D49 R56 G87 K90 | S48-V52 WeakPolarHBondContact O-CG2 3.33Å; S48-V52 PolarHBondContact O-N 3.03Å; D49-V52 WeakPolarHBondContact O-CB 3.31Å; D49-V52 PolarHBondContact O-N 3.14Å; V52-R56 VanDerWaalsContact CG1-CZ 3.44Å; V52-R56 WeakPolarHBondContact O-CB 3.49Å; V52-R56 WeakPolarHBondContact O-CG 3.07Å; V52-R56 PolarHBondContact O-N 3.22Å; V52-G87 VanDerWaalsContact CG2-O 3.22Å; V52-G87 WeakPolarHBondContact CG2-O 3.37Å; V52-K90 HydrophobicContact CG2-CB 3.66Å; V52-K90 HydrophobicContact CG2-CD 4.08Å; V52-K90 HydrophobicContact CG2-CG 3.78Å |
| 53 | E | 88.7 | Confident | 82.8 | Confident | 146 Ų | 146 | 63.1 Ų | 63.1 | 68% | 0.682 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.2 | -49.2 | 178.1 | -71.9 | -176.1 | 170.7 | 0 | 0 | 110.8 | D49 R56 Y57 | D49-E53 PolarHBondContact O-N 3.1Å; E53-R56 PolarHBondContact O-N 2.95Å; E53-Y57 VanDerWaalsContact O-CB 3.27Å; E53-Y57 WeakPolarHBondContact O-CB 3.26Å; E53-Y57 PolarHBondContact O-N 3.46Å |
| 54 | L | 88.6 | Confident | 80.1 | Confident | 12 Ų | 12 | 62.9 Ų | 62.9 | 6% | 0.063 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.6 | -51.6 | 177.3 | -170.9 | 162.8 | 0 | 0 | 0 | 111.9 | E50 R56 Y57 H58 Y135 F147 L154 | E50-L54 PolarHBondContact O-N 2.82Å; L54-R56 VanDerWaalsContact C-N 3.29Å; L54-R56 PolarHBondContact O-N 3.1Å; L54-Y57 PolarHBondContact O-N 2.93Å; L54-H58 PolarHBondContact O-N 3.44Å; L54-Y135 HydrophobicContact CD1-CD1 3.84Å; L54-Y135 HydrophobicContact CD1-CD2 4.44Å; L54-Y135 HydrophobicContact CD1-CE1 3.45Å; L54-Y135 VanDerWaalsContact CD1-CE1 3.45Å; L54-Y135 HydrophobicContact CD1-CE2 4.11Å; L54-Y135 HydrophobicContact CD1-CG 4.32Å; L54-F147 HydrophobicContact CB-CZ 4.41Å; L54-F147 HydrophobicContact CD1-CE1 3.53Å; L54-F147 HydrophobicContact CD1-CE2 4.48Å; L54-F147 HydrophobicContact CD1-CZ 3.37Å; L54-L154 HydrophobicContact CD1-CD2 3.84Å; L54-L154 HydrophobicContact CD2-CD2 3.28Å; L54-L154 HydrophobicContact CG-CD2 4.27Å |
| 55 | L | 88.5 | Confident | 77.7 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.1 | -35.6 | -176.6 | -73.8 | 175.7 | 0 | 0 | 0 | 111.9 | L51 L59 V71 I88 L93 A116 | L51-L55 HydrophobicContact CD1-CD1 3.96Å; L51-L55 HydrophobicContact CD1-CG 3.95Å; L51-L55 HydrophobicContact CD2-CD1 4.43Å; L51-L55 HydrophobicContact CG-CD1 3.8Å; L51-L55 HydrophobicContact CG-CG 4.22Å; L51-L55 VanDerWaalsContact O-CB 3.29Å; L51-L55 WeakPolarHBondContact O-CB 3.44Å; L51-L55 VanDerWaalsContact O-CG 3.22Å; L51-L55 WeakPolarHBondContact O-CG 3.31Å; L51-L55 PolarHBondContact O-N 3.07Å; L55-L59 HydrophobicContact CD2-CD1 3.74Å; L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 WeakPolarHBondContact O-CG 3.34Å; L55-L59 PolarHBondContact O-N 3.37Å; L55-V71 HydrophobicContact CD2-CG2 4.26Å; L55-I88 HydrophobicContact CD1-CB 4.37Å; L55-I88 HydrophobicContact CD1-CG1 3.69Å; L55-L93 HydrophobicContact CB-CD1 4.24Å; L55-A116 HydrophobicContact CD2-CB 4.33Å |
| 56 | R | 85.1 | Confident | 75.7 | Confident | 117 Ų | 117 | 65 Ų | 65 | 44% | 0.442 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.4 | -55.3 | 171.6 | -71.4 | 177.9 | -177.9 | 160.6 | 5.7 | 110.5 | V52 E53 L54 H58 L59 S60 K90 S91 | V52-R56 VanDerWaalsContact CG1-CZ 3.44Å; V52-R56 WeakPolarHBondContact O-CB 3.49Å; V52-R56 WeakPolarHBondContact O-CG 3.07Å; V52-R56 PolarHBondContact O-N 3.22Å; E53-R56 PolarHBondContact O-N 2.95Å; L54-R56 VanDerWaalsContact C-N 3.29Å; L54-R56 PolarHBondContact O-N 3.1Å; R56-H58 PolarHBondContact O-N 3.39Å; R56-L59 PolarHBondContact O-N 2.92Å; R56-L59 VanDerWaalsContact O-N 3.11Å; R56-S60 WeakPolarHBondContact O-CB 3.41Å; R56-S60 PolarHBondContact O-N 3.33Å; R56-S60 PolarHBondContact O-OG 3.42Å; R56-K90 PolarHBondContact NH2-O 2.8Å; R56-S91 PolarHBondContact NE-O 3.48Å |
| 57 | Y | 82.7 | Confident | 74.3 | Confident | 193 Ų | 193 | 63.5 Ų | 63.5 | 76% | 0.757 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -51.4 | -35.3 | -178.4 | -179.7 | -99.8 | 0 | 0 | 0 | 113.9 | E53 L54 | E53-Y57 VanDerWaalsContact O-CB 3.27Å; E53-Y57 WeakPolarHBondContact O-CB 3.26Å; E53-Y57 PolarHBondContact O-N 3.46Å; L54-Y57 PolarHBondContact O-N 2.93Å |
| 58 | H | 80.7 | Confident | 73.3 | Confident | 67 Ų | 67 | 64 Ų | 64 | 31% | 0.31 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -96.1 | -19.7 | 179.3 | -74 | -66.3 | 0 | 0 | 0 | 116.3 | L54 R56 Y135 L156 | L54-H58 PolarHBondContact O-N 3.44Å; R56-H58 PolarHBondContact O-N 3.39Å; H58-Y135 AromaticContact NE2-CE2 3.54Å; H58-L156 HydrophobicContact CB-CD1 4.06Å; H58-L156 HydrophobicContact CB-CD2 4.4Å |
| 59 | L | 79.2 | Confident | 72.8 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -130.5 | -11.6 | -169.9 | -50.3 | 170.9 | 0 | 0 | 0 | 115.1 | L55 R56 F61 V71 L93 D115 A116 | L55-L59 HydrophobicContact CD2-CD1 3.74Å; L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 WeakPolarHBondContact O-CG 3.34Å; L55-L59 PolarHBondContact O-N 3.37Å; R56-L59 PolarHBondContact O-N 2.92Å; R56-L59 VanDerWaalsContact O-N 3.11Å; L59-F61 PolarHBondContact O-N 2.94Å; L59-V71 HydrophobicContact CD1-CG2 4.24Å; L59-L93 HydrophobicContact CB-CD1 4.02Å; L59-L93 HydrophobicContact CD1-CD1 3.56Å; L59-L93 HydrophobicContact CG-CD1 4.44Å; L59-D115 HydrophobicContact CD2-CB 3.75Å; L59-A116 HydrophobicContact CD1-CB 3.88Å |
| 60 | S | 61.1 | Low | 72.6 | Confident | 79 Ų | 79 | 62.3 Ų | 62.3 | 55% | 0.552 | 32% | 0.317 | S | S | * | . | trans | -85.4 | 90.4 | 174.8 | 70.1 | 0 | 0 | 0 | 0 | 110.8 | R56 | R56-S60 WeakPolarHBondContact O-CB 3.41Å; R56-S60 PolarHBondContact O-N 3.33Å; R56-S60 PolarHBondContact O-OG 3.42Å | ||
| 61 | F | 55 | Low | 72.7 | Confident | 114 Ų | 114 | 60.3 Ų | 60.3 | 50% | 0.5 | 31% | 0.307 | S | S | . | . | trans | -73.9 | 161.2 | 163.8 | -74.3 | -96.2 | 0 | 0 | 0 | 110.7 | L59 E65 | L59-F61 PolarHBondContact O-N 2.94Å; F61-E65 WeakPolarHBondContact CD1-OE2 3.45Å | ||
| 62 | E | 44.2 | Very low | 72.7 | Confident | 166 Ų | 166 | 60.3 Ų | 60.3 | 78% | 0.776 | 31% | 0.307 | S | S | * | . | trans | -62 | 147.7 | 176.3 | -64.6 | -164.9 | 151.7 | 0 | 0 | 111.1 | G64 E65 | E62-G64 PolarHBondContact O-N 3.11Å; E62-E65 PolarHBondContact O-N 3.3Å | ||
| 63 | P | 37.9 | Very low | 72.9 | Confident | 101 Ų | 101 | 60 Ų | 60 | 66% | 0.656 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 4.2 | -171.9 | -26.4 | 36.1 | 0 | 0 | 0 | 117.8 | S170 | P63-S170 WeakPolarHBondContact O-CB 3.19Å; P63-S170 PolarHBondContact O-OG 2.98Å; P63-S170 VanDerWaalsContact O-OG 3.04Å |
| 64 | G | 37.3 | Very low | 73.1 | Confident | 59 Ų | 59 | 53.1 Ų | 53.1 | 61% | 0.608 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -18.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | E62 G66 | E62-G64 PolarHBondContact O-N 3.11Å; G64-G66 PolarHBondContact O-N 3.24Å |
| 65 | E | 47.8 | Very low | 73.2 | Confident | 108 Ų | 108 | 53 Ų | 53 | 51% | 0.505 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -85.4 | -2.5 | -172.9 | -63 | -158.9 | 145.8 | 0 | 0 | 115.1 | F61 E62 K67 | F61-E65 WeakPolarHBondContact CD1-OE2 3.45Å; E62-E65 PolarHBondContact O-N 3.3Å; E65-K67 VanDerWaalsContact C-N 3.28Å; E65-K67 PolarHBondContact O-N 3.31Å |
| 66 | G | 52.3 | Low | 73.3 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 16% | 0.155 | 28% | 0.281 | C | S | . | . | trans | 73.1 | -4.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | G64 F168 | G64-G66 PolarHBondContact O-N 3.24Å; G66-F168 WeakPolarHBondContact CA-O 3.23Å | ||
| 67 | K | 65.5 | Low | 73.6 | Confident | 47 Ų | 47 | 49.8 Ų | 49.8 | 20% | 0.204 | 27% | 0.268 | C | S | . | . | trans | -91.1 | 136.9 | 174.1 | -166.7 | -169.3 | -179.9 | -164.5 | 0 | 111.9 | E65 D115 L165 | E65-K67 VanDerWaalsContact C-N 3.28Å; E65-K67 PolarHBondContact O-N 3.31Å; K67-D115 WeakPolarHBondContact CE-OD2 3.13Å; K67-D115 IonicContact NZ-OD1 2.67Å; K67-D115 PolarHBondContact NZ-OD1 2.89Å; K67-D115 IonicContact NZ-OD2 3.01Å; K67-D115 PolarHBondContact NZ-OD2 3.32Å; K67-L165 HydrophobicContact CB-CD1 3.77Å; K67-L165 HydrophobicContact CB-CD2 4.01Å; K67-L165 HydrophobicContact CD-CD1 4.19Å; K67-L165 HydrophobicContact CD-CD2 4.26Å; K67-L165 HydrophobicContact CG-CD1 4.44Å; K67-L165 HydrophobicContact CG-CD2 4.18Å | ||
| 68 | L | 75.7 | Confident | 74.1 | Confident | 19 Ų | 19 | 41.6 Ų | 41.6 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | trans | -102 | 107.3 | 168.6 | -177.1 | 65 | 0 | 0 | 0 | 110.6 | P94 F172 L179 L420 | L68-P94 HydrophobicContact CD1-CG 4.37Å; L68-P94 HydrophobicContact CD2-CG 3.97Å; L68-P94 HydrophobicContact CG-CG 3.98Å; L68-F172 HydrophobicContact CD1-CZ 4.14Å; L68-L179 HydrophobicContact CD2-CB 4.07Å; L68-L179 HydrophobicContact CD2-CD2 4.1Å; L68-L420 HydrophobicContact CB-CD1 4.19Å; L68-L420 HydrophobicContact CD2-CD1 3.9Å; L68-L420 HydrophobicContact CD2-CD2 3.81Å | ||
| 69 | S | 84.9 | Confident | 74.8 | Confident | 8 Ų | 8 | 38.5 Ų | 38.5 | 6% | 0.056 | 22% | 0.223 | C | C | . | . | trans | -69.5 | 126.7 | 178.8 | -47 | 0 | 0 | 0 | 0 | 111.7 | P94 D115 | S69-P94 WeakPolarHBondContact O-CD 3.41Å; S69-D115 WeakPolarHBondContact CB-OD2 3.27Å; S69-D115 PolarHBondContact OG-OD2 3.45Å | ||
| 70 | V | 91.1 | Very high | 75.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 139.3 | 176.5 | -176 | 0 | 0 | 0 | 0 | 110.7 | P94 F96 H113 I114 D115 I182 F416 | V70-P94 HydrophobicContact CG2-CG 4.09Å; V70-F96 HydrophobicContact CG1-CB 3.8Å; V70-H113 WeakPolarHBondContact CB-O 3.32Å; V70-H113 HydrophobicContact CG2-CB 4.02Å; V70-H113 PolarHBondContact N-O 2.77Å; V70-I114 CarbonylContact O-C 3.58Å; V70-I114 VanDerWaalsContact O-CA 3.31Å; V70-I114 WeakPolarHBondContact O-CA 3.49Å; V70-D115 PolarHBondContact O-N 3.48Å; V70-I182 HydrophobicContact CG1-CD1 4.25Å; V70-I182 HydrophobicContact CG2-CD1 4.18Å; V70-F416 HydrophobicContact CG2-CE1 4.3Å; V70-F416 HydrophobicContact CG2-CZ 3.94Å |
| 71 | V | 94.4 | Very high | 77.3 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 112.4 | 171.6 | -172.3 | 0 | 0 | 0 | 0 | 109.9 | L55 L59 I88 L93 P94 F95 F96 A116 V118 | L55-V71 HydrophobicContact CD2-CG2 4.26Å; L59-V71 HydrophobicContact CD1-CG2 4.24Å; V71-I88 HydrophobicContact CB-CD1 3.96Å; V71-I88 HydrophobicContact CB-CG1 4.19Å; V71-I88 HydrophobicContact CB-CG2 4.08Å; V71-I88 HydrophobicContact CG1-CD1 3.56Å; V71-I88 HydrophobicContact CG1-CG1 3.98Å; V71-I88 HydrophobicContact CG2-CG1 4.35Å; V71-I88 HydrophobicContact CG2-CG2 4.03Å; V71-L93 HydrophobicContact CG2-CB 4.17Å; V71-L93 HydrophobicContact CG2-CD1 3.88Å; V71-P94 PolarHBondContact N-O 3.45Å; V71-F95 CarbonylContact O-C 3.56Å; V71-F95 VanDerWaalsContact O-CA 3.24Å; V71-F95 WeakPolarHBondContact O-CA 3.26Å; V71-F96 PolarHBondContact O-N 2.87Å; V71-A116 CarbonylContact C-O 3.54Å; V71-A116 WeakPolarHBondContact CA-O 3.39Å; V71-A116 HydrophobicContact CG1-CB 4.13Å; V71-A116 HydrophobicContact CG2-CB 4.37Å; V71-V118 HydrophobicContact CG1-CG2 3.9Å |
| 72 | A | 94.4 | Very high | 79.3 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 136.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F96 L107 I114 A116 I117 V118 | A72-F96 WeakPolarHBondContact CA-O 3.16Å; A72-F96 HydrophobicContact CB-CD1 4.36Å; A72-L107 HydrophobicContact CB-CD2 3.49Å; A72-L107 VanDerWaalsContact CB-CD2 3.49Å; A72-I114 HydrophobicContact CB-CD1 3.93Å; A72-I114 HydrophobicContact CB-CG1 4.07Å; A72-I114 HydrophobicContact CB-CG2 3.69Å; A72-A116 PolarHBondContact N-O 2.63Å; A72-I117 HydrophobicContact CB-CG1 4.35Å; A72-I117 HydrophobicContact CB-CG2 4.24Å; A72-I117 CarbonylContact O-C 3.58Å; A72-I117 WeakPolarHBondContact O-CA 3.44Å; A72-V118 PolarHBondContact O-N 2.94Å |
| 73 | V | 95.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 101.1 | 177.7 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | W75 V84 I88 F95 F96 P97 V98 V118 L120 L233 | V73-W75 HydrophobicContact CG1-CB 4.43Å; V73-W75 PolarHBondContact O-N 3.15Å; V73-V84 HydrophobicContact CG1-CG1 4.11Å; V73-V84 HydrophobicContact CG2-CG1 4.06Å; V73-I88 HydrophobicContact CG2-CD1 3.63Å; V73-F95 HydrophobicContact CG2-CB 4.29Å; V73-F96 PolarHBondContact N-O 2.89Å; V73-P97 WeakPolarHBondContact O-CA 3.41Å; V73-V98 PolarHBondContact O-N 3.36Å; V73-V118 CarbonylContact C-O 3.58Å; V73-V118 WeakPolarHBondContact CA-O 3.26Å; V73-L120 HydrophobicContact CG1-CD1 4.25Å; V73-L233 HydrophobicContact CB-CD2 4.25Å; V73-L233 HydrophobicContact CG1-CD2 3.76Å |
| 74 | V | 92.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 98.9 | 175.4 | 179.5 | 0 | 0 | 0 | 0 | 108 | V98 A103 L107 I117 V118 L120 I127 | V74-V98 CarbonylContact C-O 3.59Å; V74-V98 WeakPolarHBondContact CA-O 3.27Å; V74-A103 HydrophobicContact CG1-CB 4.03Å; V74-A103 HydrophobicContact CG2-CB 4.45Å; V74-L107 HydrophobicContact CG2-CD1 4.1Å; V74-L107 HydrophobicContact CG2-CD2 4.16Å; V74-L107 HydrophobicContact CG2-CG 4.45Å; V74-I117 HydrophobicContact CG2-CG2 3.88Å; V74-V118 PolarHBondContact N-O 3.49Å; V74-L120 PolarHBondContact O-N 3.14Å; V74-I127 HydrophobicContact CB-CD1 4.25Å; V74-I127 HydrophobicContact CG1-CD1 4.36Å; V74-I127 HydrophobicContact CG2-CD1 3.75Å |
| 75 | W | 92.3 | Very high | 87.5 | Confident | 9 Ų | 9 | 13.4 Ų | 13.4 | 3% | 0.034 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 129.7 | -162.5 | -173.1 | 81.7 | 0 | 0 | 0 | 113 | V73 P77 T81 V98 L99 S100 L229 P232 L233 | V73-W75 HydrophobicContact CG1-CB 4.43Å; V73-W75 PolarHBondContact O-N 3.15Å; W75-P77 HydrophobicContact CH2-CB 4.16Å; W75-P77 HydrophobicContact CH2-CG 3.61Å; W75-P77 HydrophobicContact CZ2-CB 4.23Å; W75-P77 HydrophobicContact CZ2-CG 4.15Å; W75-P77 HydrophobicContact CZ3-CG 3.92Å; W75-T81 HydrophobicContact CZ2-CG2 4.47Å; W75-T81 VanDerWaalsContact NE1-CG2 3.28Å; W75-T81 PolarHBondContact NE1-OG1 3.36Å; W75-V98 PolarHBondContact N-O 2.72Å; W75-L99 HydrophobicContact CE3-CD2 4.17Å; W75-S100 PolarHBondContact O-N 3.05Å; W75-L229 HydrophobicContact CZ2-CD2 4.13Å; W75-P232 HydrophobicContact CE3-CB 4.21Å; W75-P232 HydrophobicContact CH2-CB 4.08Å; W75-P232 VanDerWaalsContact CZ3-CA 3.46Å; W75-P232 HydrophobicContact CZ3-CB 3.45Å; W75-P232 VanDerWaalsContact CZ3-CB 3.45Å; W75-L233 HydrophobicContact CB-CB 4.13Å; W75-L233 HydrophobicContact CB-CD2 3.94Å; W75-L233 VanDerWaalsContact CD1-CD2 3.48Å; W75-L233 HydrophobicContact CD2-CB 3.54Å; W75-L233 HydrophobicContact CD2-CD2 4.5Å; W75-L233 HydrophobicContact CE3-CB 4.04Å; W75-L233 HydrophobicContact CG-CB 3.59Å; W75-L233 HydrophobicContact CG-CD2 3.71Å; W75-L233 HydrophobicContact CG-CG 4.33Å; W75-L233 HydrophobicContact CZ2-CB 4.44Å |
| 76 | A | 89.4 | Confident | 89.8 | Confident | 24 Ų | 24 | 8.8 Ų | 8.8 | 20% | 0.198 | 5% | 0.052 | C | C | . | . | trans | -117 | 162.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | H78 L120 C121 | A76-H78 PolarHBondContact O-N 3.32Å; A76-H78 VanDerWaalsContact O-N 3.13Å; A76-L120 PolarHBondContact N-O 2.92Å; A76-C121 HydrophobicContact CB-CB 4.23Å | ||
| 77 | P | 91.2 | Very high | 91.9 | Very high | 27 Ų | 27 | 8 Ų | 8 | 18% | 0.175 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -55.8 | 117.7 | 174.3 | -25.2 | 34.9 | 0 | 0 | 0 | 111.4 | F26 W75 I254 | F26-P77 HydrophobicContact CE2-CB 4.08Å; F26-P77 WeakPolarHBondContact CE2-O 3.13Å; W75-P77 HydrophobicContact CH2-CB 4.16Å; W75-P77 HydrophobicContact CH2-CG 3.61Å; W75-P77 HydrophobicContact CZ2-CB 4.23Å; W75-P77 HydrophobicContact CZ2-CG 4.15Å; W75-P77 HydrophobicContact CZ3-CG 3.92Å; P77-I254 HydrophobicContact CB-CG2 4.06Å |
| 78 | H | 94.2 | Very high | 93.3 | Very high | 20 Ų | 20 | 5.8 Ų | 5.8 | 9% | 0.093 | 4% | 0.035 | C | C | . | . | trans | -147.2 | 148.9 | -169.6 | -159.7 | -94.5 | 0 | 0 | 0 | 110.9 | A76 L80 T81 L120 D151 I254 | A76-H78 PolarHBondContact O-N 3.32Å; A76-H78 VanDerWaalsContact O-N 3.13Å; H78-L80 VanDerWaalsContact C-N 3.3Å; H78-L80 PolarHBondContact ND1-N 2.94Å; H78-L80 PolarHBondContact O-N 2.98Å; H78-T81 WeakPolarHBondContact O-CB 3.02Å; H78-T81 PolarHBondContact O-N 3.07Å; H78-T81 VanDerWaalsContact O-N 3.16Å; H78-T81 PolarHBondContact O-OG1 2.86Å; H78-L120 HydrophobicContact CB-CB 3.95Å; H78-L120 HydrophobicContact CB-CD2 4.32Å; H78-L120 HydrophobicContact CB-CG 4.5Å; H78-D151 IonicContact CE1-OD1 3.78Å; H78-D151 IonicContact CE1-OD2 2.62Å; H78-D151 PolarHBondContact CE1-OD2 3.07Å; H78-D151 VanDerWaalsContact NE2-CG 3.27Å; H78-D151 IonicContact NE2-OD1 3.15Å; H78-D151 IonicContact NE2-OD2 2.71Å; H78-D151 PolarHBondContact NE2-OD2 3.09Å; H78-D151 VanDerWaalsContact NE2-OD2 3.16Å; H78-I254 WeakPolarHBondContact O-CD1 3.34Å | ||
| 79 | I | 95.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 5.1 Ų | 5.1 | 1% | 0.01 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -43.3 | -179.9 | -169 | 66.8 | 0 | 0 | 0 | 112 | A24 F26 E37 L39 T81 N82 | A24-I79 HydrophobicContact CB-CD1 4.08Å; F26-I79 HydrophobicContact CB-CB 4.01Å; F26-I79 HydrophobicContact CB-CD1 3.8Å; F26-I79 HydrophobicContact CB-CG1 4.48Å; E37-I79 HydrophobicContact CG-CG1 4.27Å; E37-I79 VanDerWaalsContact OE2-CG2 3.29Å; E37-I79 WeakPolarHBondContact OE2-CG2 3.45Å; L39-I79 HydrophobicContact CB-CD1 3.95Å; L39-I79 HydrophobicContact CB-CG1 3.83Å; I79-T81 PolarHBondContact O-N 3.28Å; I79-N82 PolarHBondContact O-OD1 2.92Å |
| 80 | L | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 9.7 | -179.3 | -54.5 | 175.4 | 0 | 0 | 0 | 114.5 | Y47 H78 N82 V83 V84 L120 L146 W152 | Y47-L80 HydrophobicContact CD2-CD2 3.84Å; Y47-L80 HydrophobicContact CE2-CD2 4.16Å; H78-L80 VanDerWaalsContact C-N 3.3Å; H78-L80 PolarHBondContact ND1-N 2.94Å; H78-L80 PolarHBondContact O-N 2.98Å; L80-N82 PolarHBondContact O-N 3.11Å; L80-V83 HydrophobicContact CB-CB 4.32Å; L80-V83 HydrophobicContact CD2-CB 4.46Å; L80-V83 HydrophobicContact CD2-CG2 4.21Å; L80-V83 PolarHBondContact O-N 3.03Å; L80-V84 HydrophobicContact CB-CG2 4.48Å; L80-V84 WeakPolarHBondContact O-CG2 3.12Å; L80-V84 PolarHBondContact O-N 3.36Å; L80-L120 HydrophobicContact CB-CD2 3.95Å; L80-L120 HydrophobicContact CD1-CD2 4.47Å; L80-L146 HydrophobicContact CD1-CD1 3.81Å; L80-L146 HydrophobicContact CD2-CD1 4.14Å; L80-W152 HydrophobicContact CD1-CB 4.2Å; L80-W152 HydrophobicContact CD1-CG 3.94Å |
| 81 | T | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.9 | -42.9 | -177 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | W75 H78 I79 I85 L229 I242 | W75-T81 HydrophobicContact CZ2-CG2 4.47Å; W75-T81 VanDerWaalsContact NE1-CG2 3.28Å; W75-T81 PolarHBondContact NE1-OG1 3.36Å; H78-T81 WeakPolarHBondContact O-CB 3.02Å; H78-T81 PolarHBondContact O-N 3.07Å; H78-T81 VanDerWaalsContact O-N 3.16Å; H78-T81 PolarHBondContact O-OG1 2.86Å; I79-T81 PolarHBondContact O-N 3.28Å; T81-I85 WeakPolarHBondContact O-CB 3.41Å; T81-I85 WeakPolarHBondContact O-CG1 3.18Å; T81-I85 PolarHBondContact O-N 3.49Å; T81-L229 HydrophobicContact CG2-CD2 4.06Å; T81-I242 HydrophobicContact CG2-CD1 4.06Å |
| 82 | N | 96 | Very high | 93.9 | Very high | 1 Ų | 1 | 9.7 Ų | 9.7 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -71.9 | -38.6 | 176.5 | 61.3 | -20.3 | 0 | 0 | 0 | 111.8 | C23 F44 I79 L80 H86 I242 L252 | C23-N82 PolarHBondContact SG-ND2 3.26Å; F44-N82 HydrophobicContact CD2-CB 4.42Å; F44-N82 WeakPolarHBondContact CD2-ND2 3.47Å; F44-N82 HydrophobicContact CE2-CB 4.17Å; I79-N82 PolarHBondContact O-OD1 2.92Å; L80-N82 PolarHBondContact O-N 3.11Å; N82-H86 WeakPolarHBondContact O-CB 3.5Å; N82-H86 PolarHBondContact O-N 3.04Å; N82-I242 HydrophobicContact CB-CG2 3.94Å; N82-L252 HydrophobicContact CB-CD2 4.03Å |
| 83 | V | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -56.7 | -54.4 | 175 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | L39 F44 Y47 L80 I85 H86 G87 | L39-V83 HydrophobicContact CD2-CG2 3.54Å; F44-V83 HydrophobicContact CD2-CG2 3.91Å; Y47-V83 HydrophobicContact CD2-CG2 4.43Å; L80-V83 HydrophobicContact CB-CB 4.32Å; L80-V83 HydrophobicContact CD2-CB 4.46Å; L80-V83 HydrophobicContact CD2-CG2 4.21Å; L80-V83 PolarHBondContact O-N 3.03Å; V83-I85 PolarHBondContact O-N 3Å; V83-H86 PolarHBondContact O-N 3.32Å; V83-G87 PolarHBondContact O-N 3.2Å |
| 84 | V | 97.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.006 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | -176.9 | 168.2 | 0 | 0 | 0 | 0 | 111 | L51 V73 L80 I88 V118 L120 | L51-V84 HydrophobicContact CD2-CB 4.45Å; L51-V84 HydrophobicContact CD2-CG2 4.31Å; V73-V84 HydrophobicContact CG1-CG1 4.11Å; V73-V84 HydrophobicContact CG2-CG1 4.06Å; L80-V84 HydrophobicContact CB-CG2 4.48Å; L80-V84 WeakPolarHBondContact O-CG2 3.12Å; L80-V84 PolarHBondContact O-N 3.36Å; V84-I88 HydrophobicContact CG1-CD1 3.68Å; V84-I88 WeakPolarHBondContact O-CB 3.19Å; V84-I88 WeakPolarHBondContact O-CD1 3.34Å; V84-I88 WeakPolarHBondContact O-CG1 3.32Å; V84-I88 PolarHBondContact O-N 2.94Å; V84-V118 HydrophobicContact CG1-CB 4.2Å; V84-V118 HydrophobicContact CG1-CG1 3.85Å; V84-V118 HydrophobicContact CG1-CG2 4.32Å; V84-V118 HydrophobicContact CG2-CG1 3.91Å; V84-L120 HydrophobicContact CB-CD1 4.22Å; V84-L120 HydrophobicContact CG1-CD1 4.49Å; V84-L120 HydrophobicContact CG2-CD1 4.12Å; V84-L120 HydrophobicContact CG2-CD2 3.99Å; V84-L120 HydrophobicContact CG2-CG 4.37Å |
| 85 | I | 97 | Very high | 93.7 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -67 | -45.3 | 178.6 | -69.3 | -65.5 | 0 | 0 | 0 | 111.8 | T81 V83 V89 F95 L233 I242 Y243 | T81-I85 WeakPolarHBondContact O-CB 3.41Å; T81-I85 WeakPolarHBondContact O-CG1 3.18Å; T81-I85 PolarHBondContact O-N 3.49Å; V83-I85 PolarHBondContact O-N 3Å; I85-V89 WeakPolarHBondContact O-CB 3.49Å; I85-V89 VanDerWaalsContact O-CG2 3.25Å; I85-V89 WeakPolarHBondContact O-CG2 3.38Å; I85-V89 PolarHBondContact O-N 3.38Å; I85-F95 HydrophobicContact CD1-CD1 4.13Å; I85-F95 HydrophobicContact CD1-CD2 3.46Å; I85-F95 VanDerWaalsContact CD1-CD2 3.46Å; I85-F95 HydrophobicContact CD1-CE1 4.11Å; I85-F95 HydrophobicContact CD1-CE2 3.46Å; I85-F95 VanDerWaalsContact CD1-CE2 3.46Å; I85-F95 HydrophobicContact CD1-CG 3.82Å; I85-F95 HydrophobicContact CD1-CZ 3.78Å; I85-F95 HydrophobicContact CG2-CE1 4.22Å; I85-F95 HydrophobicContact CG2-CZ 4.2Å; I85-L233 HydrophobicContact CD1-CD1 3.91Å; I85-L233 HydrophobicContact CD1-CD2 4.01Å; I85-L233 HydrophobicContact CD1-CG 4.45Å; I85-L233 HydrophobicContact CG1-CD1 3.92Å; I85-L233 HydrophobicContact CG1-CD2 4.3Å; I85-I242 HydrophobicContact CB-CD1 4.45Å; I85-I242 HydrophobicContact CG1-CD1 4.29Å; I85-I242 HydrophobicContact CG2-CD1 4.41Å; I85-Y243 HydrophobicContact CG2-CE2 3.9Å |
| 86 | H | 96.9 | Very high | 93.8 | Very high | 10 Ų | 10 | 10.1 Ų | 10.1 | 5% | 0.046 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -67.2 | -41.1 | 179.2 | -171.9 | 71.6 | 0 | 0 | 0 | 112 | V13 F44 N82 V83 V89 K90 Y243 | V13-H86 WeakPolarHBondContact CG2-CE1 3.41Å; F44-H86 HydrophobicContact CE2-CB 3.83Å; F44-H86 HydrophobicContact CZ-CB 3.77Å; F44-H86 AromaticContact CZ-CD2 3.66Å; F44-H86 AromaticContact CZ-CG 3.62Å; N82-H86 WeakPolarHBondContact O-CB 3.5Å; N82-H86 PolarHBondContact O-N 3.04Å; V83-H86 PolarHBondContact O-N 3.32Å; H86-V89 PolarHBondContact O-N 3.29Å; H86-K90 WeakPolarHBondContact O-CB 3.45Å; H86-K90 PolarHBondContact O-N 3.3Å; H86-Y243 AromaticContact ND1-CE1 3.76Å; H86-Y243 AromaticContact ND1-CZ 3.97Å; H86-Y243 PolarHBondContact ND1-OH 2.83Å |
| 87 | G | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V52 V83 K90 S91 | V52-G87 VanDerWaalsContact CG2-O 3.22Å; V52-G87 WeakPolarHBondContact CG2-O 3.37Å; V83-G87 PolarHBondContact O-N 3.2Å; G87-K90 PolarHBondContact O-N 3.13Å; G87-S91 WeakPolarHBondContact O-CB 3.4Å; G87-S91 PolarHBondContact O-N 2.87Å |
| 88 | I | 94.5 | Very high | 94 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64.7 | -44.9 | 174.6 | -64.3 | 162 | 0 | 0 | 0 | 111 | L55 V71 V73 V84 K90 S91 G92 L93 F95 | L55-I88 HydrophobicContact CD1-CB 4.37Å; L55-I88 HydrophobicContact CD1-CG1 3.69Å; V71-I88 HydrophobicContact CB-CD1 3.96Å; V71-I88 HydrophobicContact CB-CG1 4.19Å; V71-I88 HydrophobicContact CB-CG2 4.08Å; V71-I88 HydrophobicContact CG1-CD1 3.56Å; V71-I88 HydrophobicContact CG1-CG1 3.98Å; V71-I88 HydrophobicContact CG2-CG1 4.35Å; V71-I88 HydrophobicContact CG2-CG2 4.03Å; V73-I88 HydrophobicContact CG2-CD1 3.63Å; V84-I88 HydrophobicContact CG1-CD1 3.68Å; V84-I88 WeakPolarHBondContact O-CB 3.19Å; V84-I88 WeakPolarHBondContact O-CD1 3.34Å; V84-I88 WeakPolarHBondContact O-CG1 3.32Å; V84-I88 PolarHBondContact O-N 2.94Å; I88-K90 PolarHBondContact O-N 2.88Å; I88-S91 PolarHBondContact O-N 2.79Å; I88-S91 PolarHBondContact O-OG 3.11Å; I88-G92 PolarHBondContact O-N 2.82Å; I88-L93 HydrophobicContact CG2-CB 4.13Å; I88-L93 VanDerWaalsContact CG2-O 3.27Å; I88-L93 WeakPolarHBondContact CG2-O 3.41Å; I88-L93 PolarHBondContact O-N 3.01Å; I88-F95 HydrophobicContact CD1-CB 4.19Å; I88-F95 HydrophobicContact CG2-CB 3.93Å; I88-F95 HydrophobicContact CG2-CD1 4.48Å |
| 89 | V | 92.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 8.5 Ų | 8.5 | 2% | 0.024 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.3 | -40 | 177.3 | 164.3 | 0 | 0 | 0 | 0 | 112.1 | L9 K10 I85 H86 G92 F95 I180 Y243 | L9-V89 HydrophobicContact CB-CG1 4.14Å; L9-V89 HydrophobicContact CD2-CG1 4.22Å; L9-V89 HydrophobicContact CD2-CG2 4.11Å; L9-V89 HydrophobicContact CG-CG1 4.32Å; K10-V89 HydrophobicContact CB-CG1 3.86Å; I85-V89 WeakPolarHBondContact O-CB 3.49Å; I85-V89 VanDerWaalsContact O-CG2 3.25Å; I85-V89 WeakPolarHBondContact O-CG2 3.38Å; I85-V89 PolarHBondContact O-N 3.38Å; H86-V89 PolarHBondContact O-N 3.29Å; V89-G92 PolarHBondContact O-N 2.9Å; V89-F95 HydrophobicContact CG2-CD1 4.09Å; V89-F95 HydrophobicContact CG2-CE1 3.76Å; V89-I180 HydrophobicContact CB-CD1 4.31Å; V89-I180 HydrophobicContact CG1-CD1 4.02Å; V89-I180 HydrophobicContact CG2-CD1 3.83Å; V89-I180 HydrophobicContact CG2-CG1 4.13Å; V89-Y243 VanDerWaalsContact CB-OH 3.3Å; V89-Y243 WeakPolarHBondContact CB-OH 3.38Å; V89-Y243 VanDerWaalsContact CG1-OH 3.27Å; V89-Y243 WeakPolarHBondContact CG1-OH 3.27Å |
| 90 | K | 91.7 | Very high | 92.5 | Very high | 58 Ų | 58 | 10 Ų | 10 | 25% | 0.252 | 6% | 0.062 | S | C | . | . | H | α-helix | trans | -73.3 | -26.5 | 178.5 | -172.9 | 174.1 | -176.2 | -176.6 | 0 | 112 | D49 V52 R56 H86 G87 I88 G92 | D49-K90 WeakPolarHBondContact OD1-CE 3.28Å; D49-K90 IonicContact OD1-NZ 3.79Å; D49-K90 PolarHBondContact OD1-NZ 2.92Å; D49-K90 IonicContact OD2-NZ 2.63Å; D49-K90 PolarHBondContact OD2-NZ 3.09Å; V52-K90 HydrophobicContact CG2-CB 3.66Å; V52-K90 HydrophobicContact CG2-CD 4.08Å; V52-K90 HydrophobicContact CG2-CG 3.78Å; R56-K90 PolarHBondContact NH2-O 2.8Å; H86-K90 WeakPolarHBondContact O-CB 3.45Å; H86-K90 PolarHBondContact O-N 3.3Å; G87-K90 PolarHBondContact O-N 3.13Å; I88-K90 PolarHBondContact O-N 2.88Å; K90-G92 VanDerWaalsContact C-N 3.29Å |
| 91 | S | 89.5 | Confident | 91.3 | Very high | 14 Ų | 14 | 14.3 Ų | 14.3 | 10% | 0.098 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -70.8 | -27.6 | 172.6 | 77.4 | 0 | 0 | 0 | 0 | 112.1 | R56 G87 I88 | R56-S91 PolarHBondContact NE-O 3.48Å; G87-S91 WeakPolarHBondContact O-CB 3.4Å; G87-S91 PolarHBondContact O-N 2.87Å; I88-S91 PolarHBondContact O-N 2.79Å; I88-S91 PolarHBondContact O-OG 3.11Å |
| 92 | G | 86.3 | Confident | 90.1 | Very high | 32 Ų | 32 | 17.2 Ų | 17.2 | 33% | 0.33 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 102.9 | 14.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I88 V89 K90 | I88-G92 PolarHBondContact O-N 2.82Å; V89-G92 PolarHBondContact O-N 2.9Å; K90-G92 VanDerWaalsContact C-N 3.29Å |
| 93 | L | 89.4 | Confident | 89.1 | Confident | 18 Ų | 18 | 17.3 Ų | 17.3 | 9% | 0.094 | 11% | 0.114 | C | C | . | . | trans | -105.1 | 146.6 | -174.6 | -60.8 | 174 | 0 | 0 | 0 | 111.9 | L55 L59 V71 I88 | L55-L93 HydrophobicContact CB-CD1 4.24Å; L59-L93 HydrophobicContact CB-CD1 4.02Å; L59-L93 HydrophobicContact CD1-CD1 3.56Å; L59-L93 HydrophobicContact CG-CD1 4.44Å; V71-L93 HydrophobicContact CG2-CB 4.17Å; V71-L93 HydrophobicContact CG2-CD1 3.88Å; I88-L93 HydrophobicContact CG2-CB 4.13Å; I88-L93 VanDerWaalsContact CG2-O 3.27Å; I88-L93 WeakPolarHBondContact CG2-O 3.41Å; I88-L93 PolarHBondContact O-N 3.01Å | ||
| 94 | P | 92.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -74.6 | 144.2 | 171 | 30.7 | -36.3 | 0 | 0 | 0 | 112 | L68 S69 V70 V71 L179 I180 | L68-P94 HydrophobicContact CD1-CG 4.37Å; L68-P94 HydrophobicContact CD2-CG 3.97Å; L68-P94 HydrophobicContact CG-CG 3.98Å; S69-P94 WeakPolarHBondContact O-CD 3.41Å; V70-P94 HydrophobicContact CG2-CG 4.09Å; V71-P94 PolarHBondContact N-O 3.45Å; P94-L179 HydrophobicContact CB-CB 4.29Å; P94-L179 HydrophobicContact CB-CD2 3.66Å; P94-L179 HydrophobicContact CB-CG 3.82Å; P94-L179 HydrophobicContact CG-CD2 3.95Å; P94-L179 HydrophobicContact CG-CG 4.5Å; P94-I180 WeakPolarHBondContact CA-O 3.46Å | ||
| 95 | F | 95.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 149.7 | 174.4 | 63.1 | -89.6 | 0 | 0 | 0 | 114.2 | V71 V73 I85 I88 V89 P97 I180 Y181 I182 I239 | V71-F95 CarbonylContact O-C 3.56Å; V71-F95 VanDerWaalsContact O-CA 3.24Å; V71-F95 WeakPolarHBondContact O-CA 3.26Å; V73-F95 HydrophobicContact CG2-CB 4.29Å; I85-F95 HydrophobicContact CD1-CD1 4.13Å; I85-F95 HydrophobicContact CD1-CD2 3.46Å; I85-F95 VanDerWaalsContact CD1-CD2 3.46Å; I85-F95 HydrophobicContact CD1-CE1 4.11Å; I85-F95 HydrophobicContact CD1-CE2 3.46Å; I85-F95 VanDerWaalsContact CD1-CE2 3.46Å; I85-F95 HydrophobicContact CD1-CG 3.82Å; I85-F95 HydrophobicContact CD1-CZ 3.78Å; I85-F95 HydrophobicContact CG2-CE1 4.22Å; I85-F95 HydrophobicContact CG2-CZ 4.2Å; I88-F95 HydrophobicContact CD1-CB 4.19Å; I88-F95 HydrophobicContact CG2-CB 3.93Å; I88-F95 HydrophobicContact CG2-CD1 4.48Å; V89-F95 HydrophobicContact CG2-CD1 4.09Å; V89-F95 HydrophobicContact CG2-CE1 3.76Å; F95-P97 HydrophobicContact CD2-CG 3.68Å; F95-P97 HydrophobicContact CE2-CG 3.85Å; F95-I180 WeakPolarHBondContact CD1-O 3.27Å; F95-I180 WeakPolarHBondContact CE1-O 3.48Å; F95-I180 PolarHBondContact N-O 2.76Å; F95-I180 VanDerWaalsContact N-O 3.15Å; F95-Y181 HydrophobicContact CE2-CG 4.48Å; F95-Y181 HydrophobicContact CZ-CD1 4.28Å; F95-Y181 HydrophobicContact CZ-CG 4.38Å; F95-Y181 CarbonylContact O-C 3.59Å; F95-Y181 VanDerWaalsContact O-CA 3.23Å; F95-Y181 WeakPolarHBondContact O-CA 3.38Å; F95-Y181 WeakPolarHBondContact O-CB 3.22Å; F95-I182 PolarHBondContact O-N 2.88Å; F95-I239 HydrophobicContact CE2-CD1 3.92Å; F95-I239 HydrophobicContact CE2-CG1 4.34Å; F95-I239 HydrophobicContact CZ-CD1 3.8Å; F95-I239 HydrophobicContact CZ-CG1 4.18Å; F95-I239 HydrophobicContact CZ-CG2 3.97Å |
| 96 | F | 95.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 96.7 | 177.6 | 175.2 | -121.1 | 0 | 0 | 0 | 110.9 | V70 V71 A72 V73 V98 G106 L110 I114 I182 L195 | V70-F96 HydrophobicContact CG1-CB 3.8Å; V71-F96 PolarHBondContact O-N 2.87Å; A72-F96 WeakPolarHBondContact CA-O 3.16Å; A72-F96 HydrophobicContact CB-CD1 4.36Å; V73-F96 PolarHBondContact N-O 2.89Å; F96-V98 HydrophobicContact CD1-CG2 3.69Å; F96-V98 HydrophobicContact CE1-CG2 3.41Å; F96-V98 VanDerWaalsContact CE1-CG2 3.41Å; F96-V98 HydrophobicContact CG-CG2 4.48Å; F96-V98 HydrophobicContact CZ-CG2 4Å; F96-G106 VanDerWaalsContact CE1-O 3.3Å; F96-G106 WeakPolarHBondContact CE1-O 3.2Å; F96-L110 HydrophobicContact CB-CD1 4.37Å; F96-L110 HydrophobicContact CD1-CD1 3.91Å; F96-L110 HydrophobicContact CD2-CD1 3.68Å; F96-L110 HydrophobicContact CE1-CB 4.49Å; F96-L110 HydrophobicContact CE1-CD1 4.02Å; F96-L110 HydrophobicContact CE2-CD1 3.8Å; F96-L110 HydrophobicContact CG-CD1 3.73Å; F96-L110 HydrophobicContact CZ-CD1 3.97Å; F96-I114 HydrophobicContact CD1-CD1 4.13Å; F96-I114 HydrophobicContact CE1-CD1 4.45Å; F96-I182 HydrophobicContact CD2-CB 3.95Å; F96-I182 HydrophobicContact CD2-CG2 4.16Å; F96-I182 WeakPolarHBondContact CD2-O 3.25Å; F96-I182 HydrophobicContact CE2-CG2 4.46Å; F96-L195 HydrophobicContact CE2-CD2 4.15Å |
| 97 | P | 94.5 | Very high | 85.1 | Confident | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.019 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 134.2 | 177.7 | -23.2 | 36.4 | 0 | 0 | 0 | 113 | V73 F95 I182 L183 L233 T234 | V73-P97 WeakPolarHBondContact O-CA 3.41Å; F95-P97 HydrophobicContact CD2-CG 3.68Å; F95-P97 HydrophobicContact CE2-CG 3.85Å; P97-I182 WeakPolarHBondContact CD-O 3.47Å; P97-L183 HydrophobicContact CB-CD2 4.19Å; P97-L183 HydrophobicContact CG-CD2 3.96Å; P97-L233 HydrophobicContact CB-CB 4.31Å; P97-L233 HydrophobicContact CB-CD2 4.15Å; P97-L233 HydrophobicContact CB-CG 3.84Å; P97-L233 VanDerWaalsContact CB-O 3.31Å; P97-L233 WeakPolarHBondContact CB-O 3.19Å; P97-L233 HydrophobicContact CG-CD2 4.27Å; P97-L233 HydrophobicContact CG-CG 3.87Å; P97-L233 WeakPolarHBondContact CG-O 3.47Å; P97-T234 HydrophobicContact CB-CG2 4.03Å |
| 98 | V | 89.1 | Confident | 84.6 | Confident | 8 Ų | 8 | 28.9 Ų | 28.9 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 136.4 | 172.3 | -168.2 | 0 | 0 | 0 | 0 | 108.9 | V73 V74 W75 F96 L107 | V73-V98 PolarHBondContact O-N 3.36Å; V74-V98 CarbonylContact C-O 3.59Å; V74-V98 WeakPolarHBondContact CA-O 3.27Å; W75-V98 PolarHBondContact N-O 2.72Å; F96-V98 HydrophobicContact CD1-CG2 3.69Å; F96-V98 HydrophobicContact CE1-CG2 3.41Å; F96-V98 VanDerWaalsContact CE1-CG2 3.41Å; F96-V98 HydrophobicContact CG-CG2 4.48Å; F96-V98 HydrophobicContact CZ-CG2 4Å; V98-L107 HydrophobicContact CG2-CD2 4.29Å |
| 99 | L | 82 | Confident | 84.2 | Confident | 27 Ų | 27 | 29.7 Ų | 29.7 | 14% | 0.141 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 138 | 171.8 | -67.5 | 176.3 | 0 | 0 | 0 | 109.7 | W75 S101 S102 A103 P232 T234 L561 | W75-L99 HydrophobicContact CE3-CD2 4.17Å; L99-S101 PolarHBondContact O-N 2.91Å; L99-S102 CarbonylContact O-C 3.51Å; L99-S102 WeakPolarHBondContact O-CA 3.22Å; L99-S102 PolarHBondContact O-N 3.23Å; L99-A103 PolarHBondContact O-N 3.32Å; L99-A103 VanDerWaalsContact O-N 3.08Å; L99-P232 HydrophobicContact CD2-CB 4.28Å; L99-T234 HydrophobicContact CD2-CG2 4.08Å; L99-T234 HydrophobicContact CG-CG2 3.77Å; L99-L561 HydrophobicContact CD1-CD1 3.92Å |
| 100 | S | 77.5 | Confident | 83.9 | Confident | 32 Ų | 32 | 29.5 Ų | 29.5 | 22% | 0.224 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -52.6 | -40.2 | 175.5 | 56.4 | 0 | 0 | 0 | 0 | 112.8 | W75 S102 A103 | W75-S100 PolarHBondContact O-N 3.05Å; S100-S102 PolarHBondContact O-N 3.36Å; S100-A103 PolarHBondContact O-N 3Å |
| 101 | S | 69.8 | Low | 83.6 | Confident | 92 Ų | 92 | 29.7 Ų | 29.7 | 64% | 0.643 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -66.2 | 2.4 | 174 | 60.8 | 0 | 0 | 0 | 0 | 115.6 | L99 | L99-S101 PolarHBondContact O-N 2.91Š|
| 102 | S | 71.3 | Confident | 83.3 | Confident | 61 Ų | 61 | 31.5 Ų | 31.5 | 43% | 0.427 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -145 | 16.2 | 179.2 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | L99 S100 S104 H105 G106 | L99-S102 CarbonylContact O-C 3.51Å; L99-S102 WeakPolarHBondContact O-CA 3.22Å; L99-S102 PolarHBondContact O-N 3.23Å; S100-S102 PolarHBondContact O-N 3.36Å; S102-S104 PolarHBondContact O-N 3.06Å; S102-H105 PolarHBondContact O-N 3.32Å; S102-G106 PolarHBondContact O-N 3.05Å |
| 103 | A | 75 | Confident | 83.4 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53.5 | -51 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113 | V74 L99 S100 H105 G106 L107 | V74-A103 HydrophobicContact CG1-CB 4.03Å; V74-A103 HydrophobicContact CG2-CB 4.45Å; L99-A103 PolarHBondContact O-N 3.32Å; L99-A103 VanDerWaalsContact O-N 3.08Å; S100-A103 PolarHBondContact O-N 3Å; A103-H105 PolarHBondContact O-N 2.92Å; A103-G106 PolarHBondContact O-N 2.79Å; A103-L107 HydrophobicContact CB-CD1 4.38Å; A103-L107 WeakPolarHBondContact O-CB 3.42Å; A103-L107 VanDerWaalsContact O-CG 3.27Å; A103-L107 WeakPolarHBondContact O-CG 3.33Å; A103-L107 PolarHBondContact O-N 3.4Å |
| 104 | S | 71.1 | Confident | 83.4 | Confident | 88 Ų | 88 | 29.5 Ų | 29.5 | 62% | 0.615 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -53.5 | -49.3 | -177.8 | 54 | 0 | 0 | 0 | 0 | 113.3 | S102 V108 | S102-S104 PolarHBondContact O-N 3.06Å; S104-V108 VanDerWaalsContact O-CG2 3.26Å; S104-V108 WeakPolarHBondContact O-CG2 3.26Å |
| 105 | H | 71.8 | Confident | 83.2 | Confident | 94 Ų | 94 | 29.6 Ų | 29.6 | 44% | 0.435 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -76.1 | -35.6 | 179.4 | -166.5 | -31.3 | 0 | 0 | 0 | 112.5 | S102 A103 T109 R193 | S102-H105 PolarHBondContact O-N 3.32Å; A103-H105 PolarHBondContact O-N 2.92Å; H105-T109 PolarHBondContact O-OG1 3.11Å; H105-R193 PolarHBondContact CD2-NH1 3.5Å; H105-R193 PolarHBondContact CD2-NH2 3.11Å; H105-R193 PolarHBondContact CE1-NH1 3.21Å; H105-R193 VanDerWaalsContact CG-NH1 3.34Å; H105-R193 PolarHBondContact ND1-NH1 3.5Å; H105-R193 VanDerWaalsContact ND1-NH1 3.12Å; H105-R193 VanDerWaalsContact NE2-CZ 3.3Å; H105-R193 PolarHBondContact NE2-NH1 2.9Å; H105-R193 PolarHBondContact NE2-NH2 2.78Å |
| 106 | G | 75.9 | Confident | 83 | Confident | 9 Ų | 9 | 29.6 Ų | 29.6 | 9% | 0.093 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.7 | -48.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F96 S102 A103 V108 T109 | F96-G106 VanDerWaalsContact CE1-O 3.3Å; F96-G106 WeakPolarHBondContact CE1-O 3.2Å; S102-G106 PolarHBondContact O-N 3.05Å; A103-G106 PolarHBondContact O-N 2.79Å; G106-V108 PolarHBondContact O-N 2.77Å; G106-T109 PolarHBondContact O-N 2.81Å |
| 107 | L | 86.9 | Confident | 82.9 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.9 | -36.6 | -177 | -64.8 | 170.3 | 0 | 0 | 0 | 112.6 | A72 V74 V98 A103 T109 L110 K111 I114 I117 I127 V129 | A72-L107 HydrophobicContact CB-CD2 3.49Å; A72-L107 VanDerWaalsContact CB-CD2 3.49Å; V74-L107 HydrophobicContact CG2-CD1 4.1Å; V74-L107 HydrophobicContact CG2-CD2 4.16Å; V74-L107 HydrophobicContact CG2-CG 4.45Å; V98-L107 HydrophobicContact CG2-CD2 4.29Å; A103-L107 HydrophobicContact CB-CD1 4.38Å; A103-L107 WeakPolarHBondContact O-CB 3.42Å; A103-L107 VanDerWaalsContact O-CG 3.27Å; A103-L107 WeakPolarHBondContact O-CG 3.33Å; A103-L107 PolarHBondContact O-N 3.4Å; L107-T109 VanDerWaalsContact C-N 3.32Å; L107-T109 PolarHBondContact O-N 3Å; L107-L110 CarbonylContact O-C 3.55Å; L107-L110 PolarHBondContact O-N 3.44Å; L107-K111 PolarHBondContact O-N 2.6Å; L107-K111 VanDerWaalsContact O-N 3.1Å; L107-I114 HydrophobicContact CD2-CD1 4.01Å; L107-I117 HydrophobicContact CD1-CD1 4.41Å; L107-I117 HydrophobicContact CD2-CD1 4.49Å; L107-I117 HydrophobicContact CD2-CG2 4.32Å; L107-I127 HydrophobicContact CD1-CD1 4.11Å; L107-I127 HydrophobicContact CD1-CG1 4.33Å; L107-I127 HydrophobicContact CD1-CG2 3.9Å; L107-V129 HydrophobicContact CB-CG2 4.36Å; L107-V129 HydrophobicContact CD1-CG2 4.12Å |
| 108 | V | 85.6 | Confident | 82.9 | Confident | 60 Ų | 60 | 29.5 Ų | 29.5 | 36% | 0.364 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -57.3 | -42.4 | 178.6 | 164.8 | 0 | 0 | 0 | 0 | 112.1 | S104 G106 L110 K111 T410 | S104-V108 VanDerWaalsContact O-CG2 3.26Å; S104-V108 WeakPolarHBondContact O-CG2 3.26Å; G106-V108 PolarHBondContact O-N 2.77Å; V108-L110 PolarHBondContact O-N 2.83Å; V108-L110 VanDerWaalsContact O-N 3.09Å; V108-K111 WeakPolarHBondContact O-CB 3.48Å; V108-K111 PolarHBondContact O-N 3.28Å; V108-T410 HydrophobicContact CG1-CG2 4.13Å; V108-T410 WeakPolarHBondContact O-CG2 3.45Å |
| 109 | T | 84.3 | Confident | 83 | Confident | 17 Ų | 17 | 29.2 Ų | 29.2 | 10% | 0.104 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.1 | -23.3 | -174.1 | -53.8 | 0 | 0 | 0 | 0 | 113.5 | H105 G106 L107 L195 P406 T409 I411 | H105-T109 PolarHBondContact O-OG1 3.11Å; G106-T109 PolarHBondContact O-N 2.81Å; L107-T109 VanDerWaalsContact C-N 3.32Å; L107-T109 PolarHBondContact O-N 3Å; T109-L195 HydrophobicContact CG2-CD1 4.13Å; T109-P406 HydrophobicContact CG2-CB 4.48Å; T109-P406 HydrophobicContact CG2-CG 4.32Å; T109-T409 WeakPolarHBondContact CA-O 3.38Å; T109-I411 HydrophobicContact CG2-CG1 4.42Å; T109-I411 PolarHBondContact O-N 3Å |
| 110 | L | 87.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | 24.4 | 173.2 | -69.2 | 174.7 | 0 | 0 | 0 | 113.2 | F96 L107 V108 N112 H113 I114 I182 L195 I411 | F96-L110 HydrophobicContact CB-CD1 4.37Å; F96-L110 HydrophobicContact CD1-CD1 3.91Å; F96-L110 HydrophobicContact CD2-CD1 3.68Å; F96-L110 HydrophobicContact CE1-CB 4.49Å; F96-L110 HydrophobicContact CE1-CD1 4.02Å; F96-L110 HydrophobicContact CE2-CD1 3.8Å; F96-L110 HydrophobicContact CG-CD1 3.73Å; F96-L110 HydrophobicContact CZ-CD1 3.97Å; L107-L110 CarbonylContact O-C 3.55Å; L107-L110 PolarHBondContact O-N 3.44Å; V108-L110 PolarHBondContact O-N 2.83Å; V108-L110 VanDerWaalsContact O-N 3.09Å; L110-N112 PolarHBondContact O-N 3.14Å; L110-H113 HydrophobicContact CD2-CB 4.49Å; L110-H113 PolarHBondContact O-N 3.12Å; L110-I114 HydrophobicContact CB-CD1 3.84Å; L110-I114 HydrophobicContact CB-CG1 3.97Å; L110-I114 WeakPolarHBondContact O-CG1 3.18Å; L110-I114 PolarHBondContact O-N 3.32Å; L110-I114 VanDerWaalsContact O-N 3.07Å; L110-I182 HydrophobicContact CD1-CB 4.44Å; L110-I182 HydrophobicContact CD1-CD1 3.67Å; L110-I182 HydrophobicContact CD1-CG2 4.16Å; L110-L195 HydrophobicContact CD1-CD1 4.28Å; L110-L195 HydrophobicContact CD2-CD1 3.83Å; L110-L195 HydrophobicContact CG-CD1 4.02Å; L110-I411 HydrophobicContact CD2-CB 4.1Å; L110-I411 HydrophobicContact CD2-CG1 4.07Å |
| 111 | K | 86 | Confident | 83.7 | Confident | 63 Ų | 63 | 27.2 Ų | 27.2 | 27% | 0.274 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -27.3 | -178.2 | -173.4 | -179.1 | 179.7 | -174.8 | 0 | 113.6 | L107 V108 V129 E130 R157 | L107-K111 PolarHBondContact O-N 2.6Å; L107-K111 VanDerWaalsContact O-N 3.1Å; V108-K111 WeakPolarHBondContact O-CB 3.48Å; V108-K111 PolarHBondContact O-N 3.28Å; K111-V129 HydrophobicContact CG-CG1 4.42Å; K111-E130 IonicContact NZ-OE2 3.98Å; K111-E130 PolarHBondContact NZ-OE2 2.99Å; K111-R157 PolarHBondContact O-NH2 3.34Å |
| 112 | N | 83.4 | Confident | 83.5 | Confident | 51 Ų | 51 | 28.5 Ų | 28.5 | 27% | 0.273 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -17.4 | -178.4 | -53.2 | -33.9 | 0 | 0 | 0 | 113.7 | L110 T410 I411 | L110-N112 PolarHBondContact O-N 3.14Å; N112-T410 PolarHBondContact ND2-OG1 3.47Å; N112-I411 PolarHBondContact ND2-O 3.36Å; N112-I411 VanDerWaalsContact ND2-O 3.09Å |
| 113 | H | 86.5 | Confident | 82.9 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 3% | 0.028 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -26.6 | -169.8 | -61.6 | -68.1 | 0 | 0 | 0 | 113.7 | V70 L110 I411 T412 F416 | V70-H113 WeakPolarHBondContact CB-O 3.32Å; V70-H113 HydrophobicContact CG2-CB 4.02Å; V70-H113 PolarHBondContact N-O 2.77Å; L110-H113 HydrophobicContact CD2-CB 4.49Å; L110-H113 PolarHBondContact O-N 3.12Å; H113-I411 PolarHBondContact NE2-O 2.92Å; H113-T412 PolarHBondContact NE2-O 2.87Å; H113-T412 VanDerWaalsContact NE2-O 3.15Å; H113-F416 WeakPolarHBondContact CE1-CB 3.48Å; H113-F416 AromaticContact CE1-CD1 3.59Å; H113-F416 AromaticContact CE1-CG 3.61Å; H113-F416 AromaticContact CG-CD1 3.96Å; H113-F416 AromaticContact ND1-CD1 3.32Å; H113-F416 VanDerWaalsContact ND1-CD1 3.32Å; H113-F416 WeakPolarHBondContact ND1-CD1 3.46Å; H113-F416 AromaticContact ND1-CE1 3.94Å; H113-F416 AromaticContact ND1-CG 3.73Å; H113-F416 AromaticContact NE2-CG 3.98Å |
| 114 | I | 89.6 | Confident | 81.9 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 128.7 | 175.4 | -62 | 161.2 | 0 | 0 | 0 | 109 | V70 A72 F96 L107 L110 A116 I117 F132 R157 | V70-I114 CarbonylContact O-C 3.58Å; V70-I114 VanDerWaalsContact O-CA 3.31Å; V70-I114 WeakPolarHBondContact O-CA 3.49Å; A72-I114 HydrophobicContact CB-CD1 3.93Å; A72-I114 HydrophobicContact CB-CG1 4.07Å; A72-I114 HydrophobicContact CB-CG2 3.69Å; F96-I114 HydrophobicContact CD1-CD1 4.13Å; F96-I114 HydrophobicContact CE1-CD1 4.45Å; L107-I114 HydrophobicContact CD2-CD1 4.01Å; L110-I114 HydrophobicContact CB-CD1 3.84Å; L110-I114 HydrophobicContact CB-CG1 3.97Å; L110-I114 WeakPolarHBondContact O-CG1 3.18Å; L110-I114 PolarHBondContact O-N 3.32Å; L110-I114 VanDerWaalsContact O-N 3.07Å; I114-A116 VanDerWaalsContact CG2-O 3.27Å; I114-A116 WeakPolarHBondContact CG2-O 3.04Å; I114-I117 HydrophobicContact CG2-CG1 3.83Å; I114-F132 HydrophobicContact CB-CZ 4.35Å; I114-F132 HydrophobicContact CG2-CE1 4.16Å; I114-F132 HydrophobicContact CG2-CZ 3.9Å; I114-F132 WeakPolarHBondContact O-CZ 3.01Å; I114-R157 PolarHBondContact O-NE 2.97Å; I114-R157 PolarHBondContact O-NH2 2.88Å |
| 115 | D | 89.4 | Confident | 81.1 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | -12.1 | 174.1 | -65.3 | -42.2 | 0 | 0 | 0 | 113.7 | L59 K67 S69 V70 R157 | L59-D115 HydrophobicContact CD2-CB 3.75Å; K67-D115 WeakPolarHBondContact CE-OD2 3.13Å; K67-D115 IonicContact NZ-OD1 2.67Å; K67-D115 PolarHBondContact NZ-OD1 2.89Å; K67-D115 IonicContact NZ-OD2 3.01Å; K67-D115 PolarHBondContact NZ-OD2 3.32Å; S69-D115 WeakPolarHBondContact CB-OD2 3.27Å; S69-D115 PolarHBondContact OG-OD2 3.45Å; V70-D115 PolarHBondContact O-N 3.48Å; D115-R157 HydrophobicContact CB-CB 4.43Å; D115-R157 PolarHBondContact O-N 3.41Å; D115-R157 VanDerWaalsContact OD1-CD 3.26Å; D115-R157 WeakPolarHBondContact OD1-CD 3.35Å; D115-R157 IonicContact OD1-CZ 3.39Å; D115-R157 IonicContact OD1-NE 3.73Å; D115-R157 PolarHBondContact OD1-NE 3.46Å; D115-R157 IonicContact OD1-NH2 2.7Å |
| 116 | A | 91.7 | Very high | 80.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 147.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L55 L59 V71 A72 I114 L154 Y155 L156 | L55-A116 HydrophobicContact CD2-CB 4.33Å; L59-A116 HydrophobicContact CD1-CB 3.88Å; V71-A116 CarbonylContact C-O 3.54Å; V71-A116 WeakPolarHBondContact CA-O 3.39Å; V71-A116 HydrophobicContact CG1-CB 4.13Å; V71-A116 HydrophobicContact CG2-CB 4.37Å; A72-A116 PolarHBondContact N-O 2.63Å; I114-A116 VanDerWaalsContact CG2-O 3.27Å; I114-A116 WeakPolarHBondContact CG2-O 3.04Å; A116-L154 HydrophobicContact CB-CD1 4.16Å; A116-Y155 CarbonylContact C-O 3.58Å; A116-Y155 VanDerWaalsContact CA-O 3.28Å; A116-Y155 WeakPolarHBondContact CA-O 3.5Å; A116-L156 HydrophobicContact CB-CD2 3.88Å |
| 117 | I | 92.8 | Very high | 79.6 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 118.2 | 175 | -47.3 | 174.7 | 0 | 0 | 0 | 108.3 | A72 V74 L107 I114 L119 I127 F132 Y155 | A72-I117 HydrophobicContact CB-CG1 4.35Å; A72-I117 HydrophobicContact CB-CG2 4.24Å; A72-I117 CarbonylContact O-C 3.58Å; A72-I117 WeakPolarHBondContact O-CA 3.44Å; V74-I117 HydrophobicContact CG2-CG2 3.88Å; L107-I117 HydrophobicContact CD1-CD1 4.41Å; L107-I117 HydrophobicContact CD2-CD1 4.49Å; L107-I117 HydrophobicContact CD2-CG2 4.32Å; I114-I117 HydrophobicContact CG2-CG1 3.83Å; I117-L119 HydrophobicContact CG2-CD1 4.05Å; I117-I127 HydrophobicContact CD1-CG2 4.03Å; I117-I127 HydrophobicContact CG2-CD1 3.97Å; I117-F132 HydrophobicContact CD1-CD1 3.81Å; I117-F132 HydrophobicContact CD1-CD2 4.2Å; I117-F132 HydrophobicContact CD1-CE1 3.87Å; I117-F132 HydrophobicContact CD1-CE2 4.25Å; I117-F132 HydrophobicContact CD1-CG 3.97Å; I117-F132 HydrophobicContact CD1-CZ 4.08Å; I117-F132 HydrophobicContact CG1-CD1 3.9Å; I117-F132 HydrophobicContact CG1-CE1 3.7Å; I117-F132 HydrophobicContact CG1-CZ 4.2Å; I117-Y155 PolarHBondContact N-O 3.22Å; I117-Y155 PolarHBondContact O-N 3.49Å |
| 118 | V | 93.5 | Very high | 78 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 123.1 | 172.4 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | V71 A72 V73 V74 V84 L120 W152 L154 | V71-V118 HydrophobicContact CG1-CG2 3.9Å; A72-V118 PolarHBondContact O-N 2.94Å; V73-V118 CarbonylContact C-O 3.58Å; V73-V118 WeakPolarHBondContact CA-O 3.26Å; V74-V118 PolarHBondContact N-O 3.49Å; V84-V118 HydrophobicContact CG1-CB 4.2Å; V84-V118 HydrophobicContact CG1-CG1 3.85Å; V84-V118 HydrophobicContact CG1-CG2 4.32Å; V84-V118 HydrophobicContact CG2-CG1 3.91Å; V118-L120 HydrophobicContact CG1-CG 4.47Å; V118-W152 HydrophobicContact CG1-CE3 4Å; V118-W152 HydrophobicContact CG1-CZ3 4.26Å; V118-L154 HydrophobicContact CG2-CD1 3.9Å |
| 119 | L | 92.2 | Very high | 76.8 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 122.7 | 173.3 | -66.6 | 70.9 | 0 | 0 | 0 | 108.5 | I117 I127 W152 S153 Y155 | I117-L119 HydrophobicContact CG2-CD1 4.05Å; L119-I127 HydrophobicContact CD1-CD1 3.73Å; L119-I127 HydrophobicContact CD2-CD1 3.73Å; L119-I127 HydrophobicContact CD2-CG1 4.32Å; L119-I127 HydrophobicContact CG-CD1 3.61Å; L119-W152 VanDerWaalsContact O-CA 3.27Å; L119-W152 WeakPolarHBondContact O-CA 3.49Å; L119-W152 WeakPolarHBondContact O-CB 3.12Å; L119-S153 PolarHBondContact N-O 3.3Å; L119-S153 PolarHBondContact O-N 2.7Å; L119-Y155 HydrophobicContact CD1-CD2 3.38Å; L119-Y155 HydrophobicContact CD1-CE2 3.53Å; L119-Y155 HydrophobicContact CD1-CG 4.47Å; L119-Y155 HydrophobicContact CD2-CE2 4.01Å; L119-Y155 HydrophobicContact CG-CE2 4.43Å |
| 120 | L | 92 | Very high | 75.9 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 53.9 | 169.5 | -70.8 | 175.1 | 0 | 0 | 0 | 109.7 | V73 V74 A76 H78 L80 V84 V118 W152 | V73-L120 HydrophobicContact CG1-CD1 4.25Å; V74-L120 PolarHBondContact O-N 3.14Å; A76-L120 PolarHBondContact N-O 2.92Å; H78-L120 HydrophobicContact CB-CB 3.95Å; H78-L120 HydrophobicContact CB-CD2 4.32Å; H78-L120 HydrophobicContact CB-CG 4.5Å; L80-L120 HydrophobicContact CB-CD2 3.95Å; L80-L120 HydrophobicContact CD1-CD2 4.47Å; V84-L120 HydrophobicContact CB-CD1 4.22Å; V84-L120 HydrophobicContact CG1-CD1 4.49Å; V84-L120 HydrophobicContact CG2-CD1 4.12Å; V84-L120 HydrophobicContact CG2-CD2 3.99Å; V84-L120 HydrophobicContact CG2-CG 4.37Å; V118-L120 HydrophobicContact CG1-CG 4.47Å; L120-W152 HydrophobicContact CD2-CB 4.07Å |
| 121 | C | 82.2 | Confident | 75.5 | Confident | 16 Ų | 16 | 45 Ų | 45 | 11% | 0.108 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -170 | 141.2 | 176.7 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | A76 S123 | A76-C121 HydrophobicContact CB-CB 4.23Å; C121-S123 PolarHBondContact O-N 3.09Å |
| 122 | N | 65.5 | Low | 75.4 | Confident | 118 Ų | 118 | 43.4 Ų | 43.4 | 63% | 0.631 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -66.8 | -1.6 | -177.4 | -47.2 | 60.8 | 0 | 0 | 0 | 115.2 | S124 | N122-S124 PolarHBondContact O-N 3.19Å; N122-S124 VanDerWaalsContact O-N 3.15Å |
| 123 | S | 58.6 | Low | 75.5 | Confident | 43 Ų | 43 | 44.1 Ų | 44.1 | 30% | 0.301 | 25% | 0.249 | S | C | . | . | trans | -87.1 | 78.1 | -174.4 | 57 | 0 | 0 | 0 | 0 | 112.5 | C121 E125 L126 | C121-S123 PolarHBondContact O-N 3.09Å; S123-E125 PolarHBondContact O-N 2.66Å; S123-L126 PolarHBondContact O-N 3.01Å; S123-L126 VanDerWaalsContact OG-CD1 3.22Å; S123-L126 WeakPolarHBondContact OG-CD1 3.31Å | ||
| 124 | S | 53.9 | Low | 75.5 | Confident | 71 Ų | 71 | 48.5 Ų | 48.5 | 50% | 0.497 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -61.6 | -23.2 | 174.9 | 53.2 | 0 | 0 | 0 | 0 | 114 | N122 L126 | N122-S124 PolarHBondContact O-N 3.19Å; N122-S124 VanDerWaalsContact O-N 3.15Å; S124-L126 PolarHBondContact O-N 2.91Å; S124-L126 VanDerWaalsContact O-N 3.1Å |
| 125 | E | 54.8 | Low | 75.3 | Confident | 185 Ų | 185 | 51.5 Ų | 51.5 | 86% | 0.864 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -61.6 | -13.6 | 177 | -61.1 | -175.7 | 154 | 0 | 0 | 114.4 | S123 | S123-E125 PolarHBondContact O-N 2.66Š|
| 126 | L | 55.6 | Low | 74.8 | Confident | 70 Ų | 70 | 57.2 Ų | 57.2 | 37% | 0.366 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -85.8 | -8.3 | -171.7 | -65.6 | -175.6 | 0 | 0 | 0 | 115.9 | S123 S124 | S123-L126 PolarHBondContact O-N 3.01Å; S123-L126 VanDerWaalsContact OG-CD1 3.22Å; S123-L126 WeakPolarHBondContact OG-CD1 3.31Å; S124-L126 PolarHBondContact O-N 2.91Å; S124-L126 VanDerWaalsContact O-N 3.1Å |
| 127 | I | 60 | Low | 73.5 | Confident | 18 Ų | 18 | 59.6 Ų | 59.6 | 9% | 0.092 | 32% | 0.323 | C | S | . | . | trans | -130.8 | 74 | -169.2 | -47.3 | -170.9 | 0 | 0 | 0 | 113.2 | V74 L107 I117 L119 V129 | V74-I127 HydrophobicContact CB-CD1 4.25Å; V74-I127 HydrophobicContact CG1-CD1 4.36Å; V74-I127 HydrophobicContact CG2-CD1 3.75Å; L107-I127 HydrophobicContact CD1-CD1 4.11Å; L107-I127 HydrophobicContact CD1-CG1 4.33Å; L107-I127 HydrophobicContact CD1-CG2 3.9Å; I117-I127 HydrophobicContact CD1-CG2 4.03Å; I117-I127 HydrophobicContact CG2-CD1 3.97Å; L119-I127 HydrophobicContact CD1-CD1 3.73Å; L119-I127 HydrophobicContact CD2-CD1 3.73Å; L119-I127 HydrophobicContact CD2-CG1 4.32Å; L119-I127 HydrophobicContact CG-CD1 3.61Å; I127-V129 VanDerWaalsContact C-N 3.26Å; I127-V129 HydrophobicContact CG2-CB 4.17Å; I127-V129 HydrophobicContact CG2-CG2 3.66Å; I127-V129 PolarHBondContact O-N 2.84Å | ||
| 128 | P | 52.3 | Low | 71.8 | Confident | 118 Ų | 118 | 65.6 Ų | 65.6 | 77% | 0.766 | 37% | 0.365 | S | S | * | . | trans | -83 | 67.4 | 162 | 35.8 | -33.9 | 0 | 0 | 0 | 110 | ||||
| 129 | V | 60.3 | Low | 70 | Confident | 27 Ų | 27 | 69 Ų | 69 | 16% | 0.164 | 39% | 0.389 | C | S | . | . | trans | -98.1 | 109.3 | 171.3 | -176 | 0 | 0 | 0 | 0 | 108.5 | L107 K111 I127 F132 | L107-V129 HydrophobicContact CB-CG2 4.36Å; L107-V129 HydrophobicContact CD1-CG2 4.12Å; K111-V129 HydrophobicContact CG-CG1 4.42Å; I127-V129 VanDerWaalsContact C-N 3.26Å; I127-V129 HydrophobicContact CG2-CB 4.17Å; I127-V129 HydrophobicContact CG2-CG2 3.66Å; I127-V129 PolarHBondContact O-N 2.84Å; V129-F132 HydrophobicContact CB-CD2 4.01Å; V129-F132 HydrophobicContact CB-CE2 4.48Å; V129-F132 HydrophobicContact CG1-CD2 3.57Å; V129-F132 HydrophobicContact CG1-CE2 3.64Å; V129-F132 PolarHBondContact O-N 2.98Å | ||
| 130 | E | 67 | Low | 67.9 | Low | 137 Ų | 137 | 75.9 Ų | 75.9 | 64% | 0.64 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 139.4 | 176.6 | -56 | 162.3 | 125.8 | 0 | 0 | 111.6 | K111 | K111-E130 IonicContact NZ-OE2 3.98Å; K111-E130 PolarHBondContact NZ-OE2 2.99Å |
| 131 | G | 77.8 | Confident | 66.1 | Low | 13 Ų | 13 | 78.3 Ų | 78.3 | 13% | 0.134 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | 3.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | R157 S158 | G131-R157 CarbonylContact O-C 3.58Å; G131-R157 WeakPolarHBondContact O-CA 3.43Å; G131-S158 WeakPolarHBondContact O-CB 3.41Å; G131-S158 PolarHBondContact O-N 2.71Å |
| 132 | F | 85.3 | Confident | 65.1 | Low | 30 Ų | 30 | 82.4 Ų | 82.4 | 13% | 0.132 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 140 | 172.3 | -71.9 | -97 | 0 | 0 | 0 | 112.5 | I114 I117 V129 L156 R157 | I114-F132 HydrophobicContact CB-CZ 4.35Å; I114-F132 HydrophobicContact CG2-CE1 4.16Å; I114-F132 HydrophobicContact CG2-CZ 3.9Å; I114-F132 WeakPolarHBondContact O-CZ 3.01Å; I117-F132 HydrophobicContact CD1-CD1 3.81Å; I117-F132 HydrophobicContact CD1-CD2 4.2Å; I117-F132 HydrophobicContact CD1-CE1 3.87Å; I117-F132 HydrophobicContact CD1-CE2 4.25Å; I117-F132 HydrophobicContact CD1-CG 3.97Å; I117-F132 HydrophobicContact CD1-CZ 4.08Å; I117-F132 HydrophobicContact CG1-CD1 3.9Å; I117-F132 HydrophobicContact CG1-CE1 3.7Å; I117-F132 HydrophobicContact CG1-CZ 4.2Å; V129-F132 HydrophobicContact CB-CD2 4.01Å; V129-F132 HydrophobicContact CB-CE2 4.48Å; V129-F132 HydrophobicContact CG1-CD2 3.57Å; V129-F132 HydrophobicContact CG1-CE2 3.64Å; V129-F132 PolarHBondContact O-N 2.98Å; F132-L156 WeakPolarHBondContact CA-O 3.09Å; F132-R157 HydrophobicContact CD1-CB 4.42Å; F132-R157 HydrophobicContact CE1-CB 4.12Å; F132-R157 HydrophobicContact CZ-CB 4.43Å |
| 133 | S | 85.1 | Confident | 64.8 | Low | 65 Ų | 65 | 84 Ų | 84 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 142.9 | 173.1 | 52.6 | 0 | 0 | 0 | 0 | 110.8 | Y135 Y155 L156 | S133-Y135 PolarHBondContact O-N 3.02Å; S133-Y155 CarbonylContact O-C 3.59Å; S133-Y155 WeakPolarHBondContact O-CA 3.37Å; S133-L156 PolarHBondContact N-O 3.48Å; S133-L156 PolarHBondContact O-N 3.45Å |
| 134 | K | 86.3 | Confident | 65.4 | Low | 98 Ų | 98 | 86.3 Ų | 86.3 | 43% | 0.426 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 130.7 | 173 | 176.2 | 167.2 | 170.1 | 162.6 | 0 | 109.4 | N136 S153 L154 Y155 | K134-N136 PolarHBondContact O-N 2.96Å; K134-S153 WeakPolarHBondContact CE-OG 3.25Å; K134-S153 PolarHBondContact NZ-OG 2.93Å; K134-L154 WeakPolarHBondContact CA-O 3.05Å; K134-Y155 HydrophobicContact CB-CD1 4.02Å; K134-Y155 HydrophobicContact CB-CE1 3.81Å; K134-Y155 HydrophobicContact CB-CE2 4.3Å; K134-Y155 HydrophobicContact CB-CG 4.37Å; K134-Y155 HydrophobicContact CG-CE2 4.44Å |
| 135 | Y | 85 | Confident | 66.9 | Low | 66 Ų | 66 | 83.2 Ų | 83.2 | 26% | 0.259 | 47% | 0.467 | S | S | . | . | trans | -72.5 | 119.5 | 169.1 | -177.6 | -95.7 | 0 | 0 | 0 | 109.2 | L54 H58 S133 N137 F147 L154 L156 | L54-Y135 HydrophobicContact CD1-CD1 3.84Å; L54-Y135 HydrophobicContact CD1-CD2 4.44Å; L54-Y135 HydrophobicContact CD1-CE1 3.45Å; L54-Y135 VanDerWaalsContact CD1-CE1 3.45Å; L54-Y135 HydrophobicContact CD1-CE2 4.11Å; L54-Y135 HydrophobicContact CD1-CG 4.32Å; H58-Y135 AromaticContact NE2-CE2 3.54Å; S133-Y135 PolarHBondContact O-N 3.02Å; Y135-N137 HydrophobicContact CE1-CB 3.91Å; Y135-F147 HydrophobicContact CD1-CE1 4.28Å; Y135-F147 HydrophobicContact CE1-CD1 4.27Å; Y135-F147 HydrophobicContact CE1-CE1 4.02Å; Y135-L154 HydrophobicContact CG-CD2 4.3Å; Y135-L154 PolarHBondContact N-O 3.05Å; Y135-L156 HydrophobicContact CD2-CD1 3.88Å | ||
| 136 | N | 78.2 | Confident | 68.5 | Low | 121 Ų | 121 | 74.4 Ų | 74.4 | 65% | 0.647 | 43% | 0.426 | S | S | * | . | trans | -109.7 | 112.4 | 173 | -63.1 | -37.3 | 0 | 0 | 0 | 107.3 | K134 S138 | K134-N136 PolarHBondContact O-N 2.96Å; N136-S138 PolarHBondContact O-N 2.9Å | ||
| 137 | N | 66.1 | Low | 69.8 | Low | 51 Ų | 51 | 73 Ų | 73 | 27% | 0.273 | 42% | 0.417 | S | S | . | . | trans | -69.4 | 119.1 | 174.8 | -169.6 | -1.3 | 0 | 0 | 0 | 109.3 | Y135 S139 F147 | Y135-N137 HydrophobicContact CE1-CB 3.91Å; N137-S139 PolarHBondContact ND2-OG 2.97Å; N137-S139 WeakPolarHBondContact OD1-CB 2.96Å; N137-S139 PolarHBondContact OD1-N 2.85Å; N137-S139 PolarHBondContact OD1-OG 3.31Å; N137-F147 HydrophobicContact CB-CB 4.12Å; N137-F147 HydrophobicContact CB-CD1 4.42Å; N137-F147 HydrophobicContact CB-CG 4.3Å | ||
| 138 | S | 57.1 | Low | 70.8 | Confident | 126 Ų | 126 | 75 Ų | 75 | 88% | 0.881 | 43% | 0.433 | S | S | * | . | trans | -98.1 | -1.7 | 178 | 56 | 0 | 0 | 0 | 0 | 113.5 | N136 | N136-S138 PolarHBondContact O-N 2.9Š| ||
| 139 | S | 54.6 | Low | 72.5 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 50% | 0.503 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -81.3 | 153.9 | 173.6 | 68.7 | 0 | 0 | 0 | 0 | 111.6 | N137 S141 | N137-S139 PolarHBondContact ND2-OG 2.97Å; N137-S139 WeakPolarHBondContact OD1-CB 2.96Å; N137-S139 PolarHBondContact OD1-N 2.85Å; N137-S139 PolarHBondContact OD1-OG 3.31Å; S139-S141 PolarHBondContact O-N 3.46Å |
| 140 | T | 49 | Very low | 73.6 | Confident | 147 Ų | 147 | 77.3 Ų | 77.3 | 90% | 0.902 | 43% | 0.433 | S | S | * | . | trans | -73.6 | 77.4 | 175.8 | 51.1 | 0 | 0 | 0 | 0 | 110.5 | T142 | T140-T142 PolarHBondContact O-N 3.15Š| ||
| 141 | S | 53.8 | Low | 74.6 | Confident | 52 Ų | 52 | 71.9 Ų | 71.9 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | trans | -56.2 | 135 | 174.4 | 57.9 | 0 | 0 | 0 | 0 | 111 | S139 | S139-S141 PolarHBondContact O-N 3.46Š| ||
| 142 | T | 60 | Low | 75.3 | Confident | 103 Ų | 103 | 71.9 Ų | 71.9 | 63% | 0.632 | 41% | 0.405 | S | S | * | . | trans | -59.8 | 156.9 | 168.1 | 46.6 | 0 | 0 | 0 | 0 | 110.6 | T140 D144 S145 | T140-T142 PolarHBondContact O-N 3.15Å; T142-D144 PolarHBondContact O-N 3.49Å; T142-D144 VanDerWaalsContact O-N 3.14Å; T142-S145 WeakPolarHBondContact O-CB 3.12Å; T142-S145 PolarHBondContact O-N 3.27Å; T142-S145 VanDerWaalsContact O-N 3.08Å | ||
| 143 | I | 60.8 | Low | 75.5 | Confident | 151 Ų | 151 | 71.2 Ų | 71.2 | 77% | 0.774 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -37.3 | -179.2 | -65.9 | 172.8 | 0 | 0 | 0 | 111 | S148 | I143-S148 PolarHBondContact O-OG 3.38Š|
| 144 | D | 71.2 | Confident | 75.7 | Confident | 91 Ų | 91 | 68.3 Ų | 68.3 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 26.5 | -179.1 | -64 | -76.6 | 0 | 0 | 0 | 115 | K43 Y47 T142 | K43-D144 VanDerWaalsContact CE-OD1 3.3Å; K43-D144 WeakPolarHBondContact CE-OD1 3.46Å; K43-D144 IonicContact NZ-OD1 2.57Å; K43-D144 PolarHBondContact NZ-OD1 3.29Å; Y47-D144 WeakPolarHBondContact CE1-O 3.29Å; T142-D144 PolarHBondContact O-N 3.49Å; T142-D144 VanDerWaalsContact O-N 3.14Å |
| 145 | S | 84.3 | Confident | 75.9 | Confident | 6 Ų | 6 | 65.1 Ų | 65.1 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -83.1 | 153.9 | 169.2 | 164.1 | 0 | 0 | 0 | 0 | 112.1 | Y47 E50 T142 F147 S148 | Y47-S145 VanDerWaalsContact CE1-C 3.48Å; E50-S145 WeakPolarHBondContact OE1-CA 3.36Å; E50-S145 WeakPolarHBondContact OE2-CB 3.45Å; E50-S145 PolarHBondContact OE2-OG 2.83Å; T142-S145 WeakPolarHBondContact O-CB 3.12Å; T142-S145 PolarHBondContact O-N 3.27Å; T142-S145 VanDerWaalsContact O-N 3.08Å; S145-F147 PolarHBondContact O-N 3.03Å; S145-F147 PolarHBondContact OG-N 3.05Å; S145-F147 VanDerWaalsContact OG-N 3.12Å; S145-S148 PolarHBondContact O-N 2.88Å; S145-S148 PolarHBondContact O-OG 2.98Å |
| 146 | L | 87.9 | Confident | 76.1 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -57.9 | -32.8 | 171 | 174.2 | 59.9 | 0 | 0 | 0 | 112.2 | Y47 E50 L51 L80 S148 W152 | Y47-L146 HydrophobicContact CD1-CB 3.66Å; Y47-L146 HydrophobicContact CD2-CD1 4.42Å; Y47-L146 HydrophobicContact CE1-CB 4.32Å; Y47-L146 HydrophobicContact CG-CB 3.96Å; Y47-L146 HydrophobicContact CG-CD1 4.19Å; Y47-L146 WeakPolarHBondContact O-CD2 3.08Å; E50-L146 HydrophobicContact CB-CB 4.35Å; E50-L146 PolarHBondContact OE1-N 3.03Å; E50-L146 PolarHBondContact OE2-N 3.36Å; L51-L146 HydrophobicContact CB-CD2 4Å; L80-L146 HydrophobicContact CD1-CD1 3.81Å; L80-L146 HydrophobicContact CD2-CD1 4.14Å; L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 2.81Å; L146-W152 HydrophobicContact CD1-CZ2 4.08Å; L146-W152 HydrophobicContact CD2-CH2 4.15Å; L146-W152 HydrophobicContact CD2-CZ2 3.95Å; L146-W152 HydrophobicContact CG-CH2 4.32Å; L146-W152 HydrophobicContact CG-CZ2 3.61Å; L146-W152 PolarHBondContact O-NE1 3.4Å |
| 147 | F | 83.1 | Confident | 76.5 | Confident | 42 Ų | 42 | 58.4 Ų | 58.4 | 18% | 0.184 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -83.1 | -3.6 | -175.6 | -58.4 | -77.6 | 0 | 0 | 0 | 114.4 | E50 L54 Y135 N137 S145 R149 W152 | E50-F147 HydrophobicContact CB-CE2 4.09Å; E50-F147 WeakPolarHBondContact OE2-CD2 3.24Å; L54-F147 HydrophobicContact CB-CZ 4.41Å; L54-F147 HydrophobicContact CD1-CE1 3.53Å; L54-F147 HydrophobicContact CD1-CE2 4.48Å; L54-F147 HydrophobicContact CD1-CZ 3.37Å; Y135-F147 HydrophobicContact CD1-CE1 4.28Å; Y135-F147 HydrophobicContact CE1-CD1 4.27Å; Y135-F147 HydrophobicContact CE1-CE1 4.02Å; N137-F147 HydrophobicContact CB-CB 4.12Å; N137-F147 HydrophobicContact CB-CD1 4.42Å; N137-F147 HydrophobicContact CB-CG 4.3Å; S145-F147 PolarHBondContact O-N 3.03Å; S145-F147 PolarHBondContact OG-N 3.05Å; S145-F147 VanDerWaalsContact OG-N 3.12Å; F147-R149 VanDerWaalsContact C-N 3.27Å; F147-W152 HydrophobicContact CD1-CH2 4.18Å; F147-W152 AromaticContact CD1-CZ2 3.76Å; F147-W152 HydrophobicContact CD1-CZ2 3.76Å; F147-W152 AromaticContact CE1-CH2 3.78Å; F147-W152 HydrophobicContact CE1-CH2 3.78Å; F147-W152 AromaticContact CE1-CZ2 3.82Å; F147-W152 HydrophobicContact CE1-CZ2 3.82Å |
| 148 | S | 82.1 | Confident | 76.9 | Confident | 60 Ų | 60 | 57.8 Ų | 57.8 | 42% | 0.42 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -78.4 | -11.5 | 173.4 | 72.9 | 0 | 0 | 0 | 0 | 113.3 | I143 S145 L146 | I143-S148 PolarHBondContact O-OG 3.38Å; S145-S148 PolarHBondContact O-N 2.88Å; S145-S148 PolarHBondContact O-OG 2.98Å; L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 2.81Å |
| 149 | R | 87 | Confident | 77.3 | Confident | 52 Ų | 52 | 56.2 Ų | 56.2 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | trans | -87 | 142.7 | -179.1 | -59.9 | -179.4 | 69.6 | 109.2 | -3.8 | 112.9 | E37 F147 D151 | E37-R149 IonicContact OE1-CZ 2.74Å; E37-R149 VanDerWaalsContact OE1-CZ 3.23Å; E37-R149 IonicContact OE1-NH1 2.67Å; E37-R149 PolarHBondContact OE1-NH1 2.96Å; E37-R149 IonicContact OE1-NH2 3.09Å; E37-R149 PolarHBondContact OE1-NH2 3.32Å; E37-R149 IonicContact OE2-NH2 3.49Å; E37-R149 PolarHBondContact OE2-NH2 2.88Å; F147-R149 VanDerWaalsContact C-N 3.27Å; R149-D151 WeakPolarHBondContact CB-OD1 3.3Å; R149-D151 IonicContact CZ-OD1 3.53Å; R149-D151 IonicContact CZ-OD2 3.49Å; R149-D151 IonicContact NE-OD1 3.9Å; R149-D151 PolarHBondContact NE-OD1 2.66Å; R149-D151 VanDerWaalsContact NE-OD1 3.08Å; R149-D151 IonicContact NE-OD2 3.48Å; R149-D151 PolarHBondContact NE-OD2 3.38Å; R149-D151 IonicContact NH2-OD1 3.27Å; R149-D151 IonicContact NH2-OD2 4Å; R149-D151 PolarHBondContact NH2-OD2 2.91Å | ||
| 150 | D | 85 | Confident | 77.3 | Confident | 140 Ų | 140 | 59.9 Ų | 59.9 | 75% | 0.749 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -104.6 | -4.6 | -180 | 68.9 | -33 | 0 | 0 | 0 | 114.5 | ||
| 151 | D | 88.2 | Confident | 77.7 | Confident | 24 Ų | 24 | 58.3 Ų | 58.3 | 13% | 0.128 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -83.4 | -13.7 | -175.9 | 63 | -5.8 | 0 | 0 | 0 | 115.2 | H78 R149 | H78-D151 IonicContact CE1-OD1 3.78Å; H78-D151 IonicContact CE1-OD2 2.62Å; H78-D151 PolarHBondContact CE1-OD2 3.07Å; H78-D151 VanDerWaalsContact NE2-CG 3.27Å; H78-D151 IonicContact NE2-OD1 3.15Å; H78-D151 IonicContact NE2-OD2 2.71Å; H78-D151 PolarHBondContact NE2-OD2 3.09Å; H78-D151 VanDerWaalsContact NE2-OD2 3.16Å; R149-D151 WeakPolarHBondContact CB-OD1 3.3Å; R149-D151 IonicContact CZ-OD1 3.53Å; R149-D151 IonicContact CZ-OD2 3.49Å; R149-D151 IonicContact NE-OD1 3.9Å; R149-D151 PolarHBondContact NE-OD1 2.66Å; R149-D151 VanDerWaalsContact NE-OD1 3.08Å; R149-D151 IonicContact NE-OD2 3.48Å; R149-D151 PolarHBondContact NE-OD2 3.38Å; R149-D151 IonicContact NH2-OD1 3.27Å; R149-D151 IonicContact NH2-OD2 4Å; R149-D151 PolarHBondContact NH2-OD2 2.91Å |
| 152 | W | 91.1 | Very high | 78 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 5% | 0.045 | 32% | 0.316 | C | S | . | . | trans | -120.8 | 171.1 | 174.8 | 80.7 | -75.6 | 0 | 0 | 0 | 111.4 | L80 V118 L119 L120 L146 F147 L154 | L80-W152 HydrophobicContact CD1-CB 4.2Å; L80-W152 HydrophobicContact CD1-CG 3.94Å; V118-W152 HydrophobicContact CG1-CE3 4Å; V118-W152 HydrophobicContact CG1-CZ3 4.26Å; L119-W152 VanDerWaalsContact O-CA 3.27Å; L119-W152 WeakPolarHBondContact O-CA 3.49Å; L119-W152 WeakPolarHBondContact O-CB 3.12Å; L120-W152 HydrophobicContact CD2-CB 4.07Å; L146-W152 HydrophobicContact CD1-CZ2 4.08Å; L146-W152 HydrophobicContact CD2-CH2 4.15Å; L146-W152 HydrophobicContact CD2-CZ2 3.95Å; L146-W152 HydrophobicContact CG-CH2 4.32Å; L146-W152 HydrophobicContact CG-CZ2 3.61Å; L146-W152 PolarHBondContact O-NE1 3.4Å; F147-W152 HydrophobicContact CD1-CH2 4.18Å; F147-W152 AromaticContact CD1-CZ2 3.76Å; F147-W152 HydrophobicContact CD1-CZ2 3.76Å; F147-W152 AromaticContact CE1-CH2 3.78Å; F147-W152 HydrophobicContact CE1-CH2 3.78Å; F147-W152 AromaticContact CE1-CZ2 3.82Å; F147-W152 HydrophobicContact CE1-CZ2 3.82Å; W152-L154 HydrophobicContact CH2-CB 4.17Å; W152-L154 HydrophobicContact CZ3-CB 3.81Å | ||
| 153 | S | 89.4 | Confident | 77.7 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 144.5 | 170.5 | -74.4 | 0 | 0 | 0 | 0 | 112.2 | L119 K134 | L119-S153 PolarHBondContact N-O 3.3Å; L119-S153 PolarHBondContact O-N 2.7Å; K134-S153 WeakPolarHBondContact CE-OG 3.25Å; K134-S153 PolarHBondContact NZ-OG 2.93Å |
| 154 | L | 90.3 | Very high | 77.3 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 137.8 | 169.3 | 178.8 | 66.2 | 0 | 0 | 0 | 110.4 | L54 A116 V118 K134 Y135 W152 L156 | L54-L154 HydrophobicContact CD1-CD2 3.84Å; L54-L154 HydrophobicContact CD2-CD2 3.28Å; L54-L154 HydrophobicContact CG-CD2 4.27Å; A116-L154 HydrophobicContact CB-CD1 4.16Å; V118-L154 HydrophobicContact CG2-CD1 3.9Å; K134-L154 WeakPolarHBondContact CA-O 3.05Å; Y135-L154 HydrophobicContact CG-CD2 4.3Å; Y135-L154 PolarHBondContact N-O 3.05Å; W152-L154 HydrophobicContact CH2-CB 4.17Å; W152-L154 HydrophobicContact CZ3-CB 3.81Å; L154-L156 HydrophobicContact CD1-CD2 4.28Å; L154-L156 HydrophobicContact CD2-CD2 4.08Å; L154-L156 HydrophobicContact CD2-CG 4.32Å; L154-L156 HydrophobicContact CG-CD2 4.21Å; L154-L156 HydrophobicContact CG-CG 4.37Å |
| 155 | Y | 90 | Very high | 76.2 | Confident | 31 Ų | 31 | 57.2 Ų | 57.2 | 12% | 0.122 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 138.1 | 167.1 | -68 | -117.2 | 0 | 0 | 0 | 108.9 | A116 I117 L119 S133 K134 | A116-Y155 CarbonylContact C-O 3.58Å; A116-Y155 VanDerWaalsContact CA-O 3.28Å; A116-Y155 WeakPolarHBondContact CA-O 3.5Å; I117-Y155 PolarHBondContact N-O 3.22Å; I117-Y155 PolarHBondContact O-N 3.49Å; L119-Y155 HydrophobicContact CD1-CD2 3.38Å; L119-Y155 HydrophobicContact CD1-CE2 3.53Å; L119-Y155 HydrophobicContact CD1-CG 4.47Å; L119-Y155 HydrophobicContact CD2-CE2 4.01Å; L119-Y155 HydrophobicContact CG-CE2 4.43Å; S133-Y155 CarbonylContact O-C 3.59Å; S133-Y155 WeakPolarHBondContact O-CA 3.37Å; K134-Y155 HydrophobicContact CB-CD1 4.02Å; K134-Y155 HydrophobicContact CB-CE1 3.81Å; K134-Y155 HydrophobicContact CB-CE2 4.3Å; K134-Y155 HydrophobicContact CB-CG 4.37Å; K134-Y155 HydrophobicContact CG-CE2 4.44Å |
| 156 | L | 88.8 | Confident | 74.2 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 9% | 0.089 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 150.1 | 178.2 | -63 | 176 | 0 | 0 | 0 | 109.7 | H58 A116 F132 S133 Y135 L154 | H58-L156 HydrophobicContact CB-CD1 4.06Å; H58-L156 HydrophobicContact CB-CD2 4.4Å; A116-L156 HydrophobicContact CB-CD2 3.88Å; F132-L156 WeakPolarHBondContact CA-O 3.09Å; S133-L156 PolarHBondContact N-O 3.48Å; S133-L156 PolarHBondContact O-N 3.45Å; Y135-L156 HydrophobicContact CD2-CD1 3.88Å; L154-L156 HydrophobicContact CD1-CD2 4.28Å; L154-L156 HydrophobicContact CD2-CD2 4.08Å; L154-L156 HydrophobicContact CD2-CG 4.32Å; L154-L156 HydrophobicContact CG-CD2 4.21Å; L154-L156 HydrophobicContact CG-CG 4.37Å |
| 157 | R | 86 | Confident | 72.1 | Confident | 30 Ų | 30 | 69.4 Ų | 69.4 | 11% | 0.113 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 132.2 | 170.8 | 179.4 | 179.8 | -66 | -83.5 | -10.2 | 110.2 | K111 I114 D115 G131 F132 F161 F162 | K111-R157 PolarHBondContact O-NH2 3.34Å; I114-R157 PolarHBondContact O-NE 2.97Å; I114-R157 PolarHBondContact O-NH2 2.88Å; D115-R157 HydrophobicContact CB-CB 4.43Å; D115-R157 PolarHBondContact O-N 3.41Å; D115-R157 VanDerWaalsContact OD1-CD 3.26Å; D115-R157 WeakPolarHBondContact OD1-CD 3.35Å; D115-R157 IonicContact OD1-CZ 3.39Å; D115-R157 IonicContact OD1-NE 3.73Å; D115-R157 PolarHBondContact OD1-NE 3.46Å; D115-R157 IonicContact OD1-NH2 2.7Å; G131-R157 CarbonylContact O-C 3.58Å; G131-R157 WeakPolarHBondContact O-CA 3.43Å; F132-R157 HydrophobicContact CD1-CB 4.42Å; F132-R157 HydrophobicContact CE1-CB 4.12Å; F132-R157 HydrophobicContact CZ-CB 4.43Å; R157-F161 WeakPolarHBondContact CD-O 3.5Å; R157-F161 PolarHBondContact NH1-O 3.23Å; R157-F162 VanDerWaalsContact CD-CD1 3.46Å; R157-F162 HydrophobicContact CG-CD1 4.45Å; R157-F162 HydrophobicContact CG-CE1 4.31Å |
| 158 | S | 75.5 | Confident | 70.3 | Confident | 37 Ų | 37 | 70.7 Ų | 70.7 | 26% | 0.259 | 37% | 0.369 | S | S | . | . | trans | -69.5 | 136.3 | 169.6 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | G131 L160 F161 | G131-S158 WeakPolarHBondContact O-CB 3.41Å; G131-S158 PolarHBondContact O-N 2.71Å; S158-L160 PolarHBondContact O-N 2.96Å; S158-L160 VanDerWaalsContact O-N 3.11Å; S158-F161 PolarHBondContact O-N 3.31Å | ||
| 159 | S | 65.2 | Low | 68.3 | Low | 94 Ų | 94 | 73.5 Ų | 73.5 | 66% | 0.657 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -57.7 | -27.6 | -178.6 | 51 | 0 | 0 | 0 | 0 | 114.1 | F161 F162 | S159-F161 PolarHBondContact O-N 3.15Å; S159-F162 PolarHBondContact O-N 3.09Å |
| 160 | L | 54.2 | Low | 66.3 | Low | 149 Ų | 149 | 73.1 Ų | 73.1 | 78% | 0.78 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -65.5 | -14 | 174.6 | -64.5 | 170.6 | 0 | 0 | 0 | 113.9 | S158 | S158-L160 PolarHBondContact O-N 2.96Å; S158-L160 VanDerWaalsContact O-N 3.11Å |
| 161 | F | 58.3 | Low | 64.6 | Low | 113 Ų | 113 | 68.7 Ų | 68.7 | 50% | 0.496 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -121.6 | 21.3 | -175.6 | -68.6 | -89.3 | 0 | 0 | 0 | 113.1 | R157 S158 S159 | R157-F161 WeakPolarHBondContact CD-O 3.5Å; R157-F161 PolarHBondContact NH1-O 3.23Å; S158-F161 PolarHBondContact O-N 3.31Å; S159-F161 PolarHBondContact O-N 3.15Å |
| 162 | F | 59.3 | Low | 62.7 | Low | 73 Ų | 73 | 73.4 Ų | 73.4 | 32% | 0.32 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 130.6 | 161.2 | -75.6 | -63.8 | 0 | 0 | 0 | 109.7 | R157 S159 | R157-F162 VanDerWaalsContact CD-CD1 3.46Å; R157-F162 HydrophobicContact CG-CD1 4.45Å; R157-F162 HydrophobicContact CG-CE1 4.31Å; S159-F162 PolarHBondContact O-N 3.09Å |
| 163 | P | 55.1 | Low | 60.7 | Low | 41 Ų | 41 | 78.2 Ų | 78.2 | 27% | 0.266 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 143.3 | 170.8 | 28.6 | -33.7 | 0 | 0 | 0 | 109.6 | L165 I413 | P163-L165 PolarHBondContact O-N 2.93Å; P163-I413 HydrophobicContact CB-CD1 4.34Å; P163-I413 HydrophobicContact CG-CD1 4.27Å |
| 164 | Q | 51 | Low | 59 | Low | 195 Ų | 195 | 83 Ų | 83 | 91% | 0.911 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 122.2 | 174.1 | -72.8 | -177.1 | -14.6 | 0 | 0 | 109.7 | ||
| 165 | L | 49.6 | Very low | 57.1 | Low | 66 Ų | 66 | 86.8 Ų | 86.8 | 35% | 0.346 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -93.7 | 137.6 | -179.6 | -69.5 | 166.5 | 0 | 0 | 0 | 110.5 | K67 P163 I413 | K67-L165 HydrophobicContact CB-CD1 3.77Å; K67-L165 HydrophobicContact CB-CD2 4.01Å; K67-L165 HydrophobicContact CD-CD1 4.19Å; K67-L165 HydrophobicContact CD-CD2 4.26Å; K67-L165 HydrophobicContact CG-CD1 4.44Å; K67-L165 HydrophobicContact CG-CD2 4.18Å; P163-L165 PolarHBondContact O-N 2.93Å; L165-I413 HydrophobicContact CD2-CD1 4.45Å |
| 166 | H | 42.2 | Very low | 55.6 | Low | 152 Ų | 152 | 86.5 Ų | 86.5 | 70% | 0.704 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -87.6 | 138.2 | 149.9 | -61.8 | -56.3 | 0 | 0 | 0 | 107.7 | F168 | H166-F168 WeakPolarHBondContact O-CD2 3.4Å; H166-F168 PolarHBondContact O-N 2.92Å |
| 167 | P | 43.5 | Very low | 54.4 | Low | 109 Ų | 109 | 87.3 Ų | 87.3 | 71% | 0.708 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 122.4 | 179.6 | 26.1 | -33.6 | 0 | 0 | 0 | 110.1 | ||
| 168 | F | 44.2 | Very low | 54.1 | Low | 69 Ų | 69 | 88 Ų | 88 | 30% | 0.303 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -98.9 | 145.1 | 172.4 | -76.4 | -85 | 0 | 0 | 0 | 110.3 | G66 H166 S170 I413 | G66-F168 WeakPolarHBondContact CA-O 3.23Å; H166-F168 WeakPolarHBondContact O-CD2 3.4Å; H166-F168 PolarHBondContact O-N 2.92Å; F168-S170 PolarHBondContact O-N 2.94Å; F168-I413 HydrophobicContact CE2-CG2 3.86Å; F168-I413 HydrophobicContact CZ-CG2 4.4Å |
| 169 | P | 41.3 | Very low | 54.8 | Low | 120 Ų | 120 | 86.4 Ų | 86.4 | 78% | 0.779 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 132.8 | 172.4 | 25.9 | -34 | 0 | 0 | 0 | 109.9 | ||
| 170 | S | 45.1 | Very low | 56 | Low | 43 Ų | 43 | 81.9 Ų | 81.9 | 30% | 0.301 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 121.7 | -170.5 | -159.5 | 0 | 0 | 0 | 0 | 112.4 | P63 F168 F172 | P63-S170 WeakPolarHBondContact O-CB 3.19Å; P63-S170 PolarHBondContact O-OG 2.98Å; P63-S170 VanDerWaalsContact O-OG 3.04Å; F168-S170 PolarHBondContact O-N 2.94Å; S170-F172 PolarHBondContact O-N 3.46Å; S170-F172 VanDerWaalsContact O-N 3.14Å |
| 171 | P | 47.6 | Very low | 58 | Low | 47 Ų | 47 | 74.8 Ų | 74.8 | 31% | 0.305 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -74.8 | 2.1 | -178.5 | 31.2 | -36.1 | 0 | 0 | 0 | 113.4 | I173 L420 | P171-I173 PolarHBondContact O-N 3.2Å; P171-L420 HydrophobicContact CB-CD1 4.39Å; P171-L420 HydrophobicContact CG-CD1 4.47Å |
| 172 | F | 50.1 | Low | 59.7 | Low | 124 Ų | 124 | 69.4 Ų | 69.4 | 54% | 0.544 | 36% | 0.364 | S | S | . | . | trans | -76.4 | 52.4 | 175.9 | -65.4 | -73 | 0 | 0 | 0 | 112.3 | L68 S170 | L68-F172 HydrophobicContact CD1-CZ 4.14Å; S170-F172 PolarHBondContact O-N 3.46Å; S170-F172 VanDerWaalsContact O-N 3.14Å | ||
| 173 | I | 48.6 | Very low | 61.3 | Low | 112 Ų | 112 | 66 Ų | 66 | 57% | 0.574 | 35% | 0.35 | S | S | * | . | trans | -89 | 109.6 | 177.1 | -59.3 | 174.5 | 0 | 0 | 0 | 108.6 | P171 | P171-I173 PolarHBondContact O-N 3.2Š| ||
| 174 | E | 54.1 | Low | 62.9 | Low | 117 Ų | 117 | 66.5 Ų | 66.5 | 55% | 0.547 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 69.2 | 143.7 | 179.8 | -60.1 | 172.4 | -138.3 | 0 | 0 | 117.9 | K177 | E174-K177 HydrophobicContact CB-CD 4.22Å; E174-K177 IonicContact OE1-NZ 3.23Å; E174-K177 PolarHBondContact OE1-NZ 3.07Å; E174-K177 WeakPolarHBondContact OE2-CE 3.37Å; E174-K177 IonicContact OE2-NZ 2.67Å; E174-K177 PolarHBondContact OE2-NZ 2.91Å |
| 175 | P | 50.4 | Low | 64.3 | Low | 83 Ų | 83 | 58.4 Ų | 58.4 | 54% | 0.539 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | 147.6 | 163.7 | -31.8 | 38.9 | 0 | 0 | 0 | 114.4 | Y8 K177 | Y8-P175 WeakPolarHBondContact OH-CA 3.43Å; Y8-P175 WeakPolarHBondContact OH-CB 3.25Å; P175-K177 PolarHBondContact O-N 3.19Å; P175-K177 VanDerWaalsContact O-N 3.13Å |
| 176 | N | 56.9 | Low | 65 | Low | 26 Ų | 26 | 59.7 Ų | 59.7 | 14% | 0.139 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | -3.8 | 174.8 | -34.8 | -72.7 | 0 | 0 | 0 | 117.5 | S201 | N176-S201 WeakPolarHBondContact O-CB 3.3Å; N176-S201 PolarHBondContact O-N 3.01Å; N176-S201 VanDerWaalsContact O-N 3.12Å; N176-S201 PolarHBondContact O-OG 2.9Å |
| 177 | K | 65.3 | Low | 65.6 | Low | 34 Ų | 34 | 53.2 Ų | 53.2 | 15% | 0.148 | 30% | 0.304 | C | S | . | . | trans | -98.2 | -2.4 | -178.4 | -71.3 | -179.3 | 177.6 | 166.2 | 0 | 115.6 | E174 P175 A199 P424 | E174-K177 HydrophobicContact CB-CD 4.22Å; E174-K177 IonicContact OE1-NZ 3.23Å; E174-K177 PolarHBondContact OE1-NZ 3.07Å; E174-K177 WeakPolarHBondContact OE2-CE 3.37Å; E174-K177 IonicContact OE2-NZ 2.67Å; E174-K177 PolarHBondContact OE2-NZ 2.91Å; P175-K177 PolarHBondContact O-N 3.19Å; P175-K177 VanDerWaalsContact O-N 3.13Å; K177-A199 WeakPolarHBondContact O-CB 3.22Å; K177-P424 HydrophobicContact CD-CB 3.96Å; K177-P424 HydrophobicContact CD-CG 4.13Å | ||
| 178 | H | 79.5 | Confident | 65.8 | Low | 43 Ų | 43 | 49.9 Ų | 49.9 | 20% | 0.199 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -68.1 | 146.9 | 179.5 | 70.7 | -95.8 | 0 | 0 | 0 | 112.8 | Y8 I180 A199 D200 | Y8-H178 AromaticContact CD1-CE1 3.62Å; Y8-H178 AromaticContact CE1-CE1 3.74Å; Y8-H178 AromaticContact CE1-ND1 3.93Å; H178-I180 PolarHBondContact O-N 2.67Å; H178-A199 CarbonylContact O-C 3.28Å; H178-A199 WeakPolarHBondContact O-CA 3.42Å; H178-A199 VanDerWaalsContact O-CB 3.31Å; H178-A199 WeakPolarHBondContact O-CB 3.29Å; H178-D200 IonicContact CE1-OD2 3.72Å; H178-D200 IonicContact NE2-OD2 3.58Å; H178-D200 PolarHBondContact O-N 2.91Å |
| 179 | L | 89.4 | Confident | 65.8 | Low | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 129.2 | 175.1 | -174.1 | 77 | 0 | 0 | 0 | 110.5 | L68 P94 I182 C197 V198 F416 L420 L423 | L68-L179 HydrophobicContact CD2-CB 4.07Å; L68-L179 HydrophobicContact CD2-CD2 4.1Å; P94-L179 HydrophobicContact CB-CB 4.29Å; P94-L179 HydrophobicContact CB-CD2 3.66Å; P94-L179 HydrophobicContact CB-CG 3.82Å; P94-L179 HydrophobicContact CG-CD2 3.95Å; P94-L179 HydrophobicContact CG-CG 4.5Å; L179-I182 HydrophobicContact CD1-CG1 4.48Å; L179-I182 HydrophobicContact CD2-CD1 4.1Å; L179-I182 HydrophobicContact CD2-CG1 3.92Å; L179-C197 HydrophobicContact CD1-CB 3.57Å; L179-V198 WeakPolarHBondContact CD1-O 3.19Å; L179-F416 HydrophobicContact CD2-CE2 4.16Å; L179-F416 HydrophobicContact CD2-CZ 3.72Å; L179-L420 HydrophobicContact CB-CD2 3.8Å; L179-L420 HydrophobicContact CD1-CD2 4.49Å; L179-L420 HydrophobicContact CD2-CD2 3.9Å; L179-L420 HydrophobicContact CG-CD2 4.29Å; L179-L423 HydrophobicContact CB-CD1 3.91Å; L179-L423 HydrophobicContact CD1-CD1 3.99Å; L179-L423 HydrophobicContact CD1-CD2 4.47Å |
| 180 | I | 91.4 | Very high | 66.1 | Low | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | -34.1 | -179.7 | -159 | 64.9 | 0 | 0 | 0 | 112.7 | L9 V89 P94 F95 H178 V198 D200 | L9-I180 HydrophobicContact CD2-CG1 3.84Å; V89-I180 HydrophobicContact CB-CD1 4.31Å; V89-I180 HydrophobicContact CG1-CD1 4.02Å; V89-I180 HydrophobicContact CG2-CD1 3.83Å; V89-I180 HydrophobicContact CG2-CG1 4.13Å; P94-I180 WeakPolarHBondContact CA-O 3.46Å; F95-I180 WeakPolarHBondContact CD1-O 3.27Å; F95-I180 WeakPolarHBondContact CE1-O 3.48Å; F95-I180 PolarHBondContact N-O 2.76Å; F95-I180 VanDerWaalsContact N-O 3.15Å; H178-I180 PolarHBondContact O-N 2.67Å; I180-V198 HydrophobicContact CG2-CG1 4.18Å; I180-V198 WeakPolarHBondContact CG2-O 3.31Å; I180-V198 PolarHBondContact N-O 2.76Å; I180-D200 HydrophobicContact CB-CB 4.29Å; I180-D200 HydrophobicContact CG1-CB 4.5Å |
| 181 | Y | 94.8 | Very high | 66.4 | Low | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 164 | 170.9 | 69.5 | -106.7 | 0 | 0 | 0 | 113.8 | F95 L183 V198 L203 D236 I239 | F95-Y181 HydrophobicContact CE2-CG 4.48Å; F95-Y181 HydrophobicContact CZ-CD1 4.28Å; F95-Y181 HydrophobicContact CZ-CG 4.38Å; F95-Y181 CarbonylContact O-C 3.59Å; F95-Y181 VanDerWaalsContact O-CA 3.23Å; F95-Y181 WeakPolarHBondContact O-CA 3.38Å; F95-Y181 WeakPolarHBondContact O-CB 3.22Å; Y181-L183 HydrophobicContact CD2-CB 4.42Å; Y181-L183 HydrophobicContact CD2-CD1 4.06Å; Y181-L183 HydrophobicContact CD2-CG 3.78Å; Y181-L183 HydrophobicContact CE2-CB 4.36Å; Y181-L183 HydrophobicContact CE2-CD1 3.61Å; Y181-L183 HydrophobicContact CE2-CG 3.82Å; Y181-V198 HydrophobicContact CD1-CB 4.23Å; Y181-V198 HydrophobicContact CD1-CG1 4.14Å; Y181-V198 HydrophobicContact CD2-CB 3.97Å; Y181-V198 HydrophobicContact CD2-CG2 4.23Å; Y181-V198 HydrophobicContact CE1-CB 3.9Å; Y181-V198 HydrophobicContact CE1-CG1 3.57Å; Y181-V198 HydrophobicContact CE1-CG2 4.39Å; Y181-V198 HydrophobicContact CE2-CB 3.62Å; Y181-V198 HydrophobicContact CE2-CG1 4.19Å; Y181-V198 HydrophobicContact CE2-CG2 3.49Å; Y181-V198 VanDerWaalsContact CE2-CG2 3.49Å; Y181-V198 HydrophobicContact CG-CB 4.26Å; Y181-V198 PolarHBondContact N-O 3.46Å; Y181-V198 PolarHBondContact O-N 2.9Å; Y181-L203 HydrophobicContact CD1-CD2 4.07Å; Y181-L203 HydrophobicContact CE1-CB 4.39Å; Y181-L203 HydrophobicContact CE1-CD2 3.83Å; Y181-D236 WeakPolarHBondContact OH-CB 3.38Å; Y181-I239 HydrophobicContact CD1-CD1 3.45Å; Y181-I239 VanDerWaalsContact CD1-CD1 3.45Å; Y181-I239 HydrophobicContact CD2-CD1 4.39Å; Y181-I239 HydrophobicContact CE1-CD1 3.51Å; Y181-I239 HydrophobicContact CE2-CD1 4.44Å; Y181-I239 HydrophobicContact CG-CD1 3.92Å |
| 182 | I | 95 | Very high | 66.9 | Low | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135.1 | 166.9 | -49 | 165.7 | 0 | 0 | 0 | 108.5 | V70 F95 F96 P97 L110 L179 L195 V196 F416 | V70-I182 HydrophobicContact CG1-CD1 4.25Å; V70-I182 HydrophobicContact CG2-CD1 4.18Å; F95-I182 PolarHBondContact O-N 2.88Å; F96-I182 HydrophobicContact CD2-CB 3.95Å; F96-I182 HydrophobicContact CD2-CG2 4.16Å; F96-I182 WeakPolarHBondContact CD2-O 3.25Å; F96-I182 HydrophobicContact CE2-CG2 4.46Å; P97-I182 WeakPolarHBondContact CD-O 3.47Å; L110-I182 HydrophobicContact CD1-CB 4.44Å; L110-I182 HydrophobicContact CD1-CD1 3.67Å; L110-I182 HydrophobicContact CD1-CG2 4.16Å; L179-I182 HydrophobicContact CD1-CG1 4.48Å; L179-I182 HydrophobicContact CD2-CD1 4.1Å; L179-I182 HydrophobicContact CD2-CG1 3.92Å; I182-L195 HydrophobicContact CG2-CB 3.98Å; I182-L195 HydrophobicContact CG2-CD1 4.49Å; I182-L195 HydrophobicContact CG2-CD2 4.44Å; I182-V196 CarbonylContact C-O 3.57Å; I182-V196 VanDerWaalsContact CA-O 3.3Å; I182-V196 WeakPolarHBondContact CA-O 3.28Å; I182-F416 HydrophobicContact CD1-CE2 3.63Å; I182-F416 HydrophobicContact CD1-CZ 3.93Å |
| 183 | L | 93.1 | Very high | 68.1 | Low | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 137.1 | 174.3 | -79.3 | 177.1 | 0 | 0 | 0 | 112.5 | P97 Y181 L195 V196 D236 T333 | P97-L183 HydrophobicContact CB-CD2 4.19Å; P97-L183 HydrophobicContact CG-CD2 3.96Å; Y181-L183 HydrophobicContact CD2-CB 4.42Å; Y181-L183 HydrophobicContact CD2-CD1 4.06Å; Y181-L183 HydrophobicContact CD2-CG 3.78Å; Y181-L183 HydrophobicContact CE2-CB 4.36Å; Y181-L183 HydrophobicContact CE2-CD1 3.61Å; Y181-L183 HydrophobicContact CE2-CG 3.82Å; L183-L195 CarbonylContact O-C 3.5Å; L183-L195 WeakPolarHBondContact O-CA 3.17Å; L183-V196 PolarHBondContact N-O 2.97Å; L183-V196 PolarHBondContact O-N 3.13Å; L183-D236 HydrophobicContact CD1-CB 3.6Å; L183-T333 HydrophobicContact CB-CG2 4.2Å; L183-T333 HydrophobicContact CD1-CG2 4.01Å |
| 184 | T | 88 | Confident | 69.9 | Low | 50 Ų | 50 | 55.1 Ų | 55.1 | 31% | 0.307 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 126.4 | 170.6 | -56.4 | 0 | 0 | 0 | 0 | 110 | R193 L195 | T184-R193 HydrophobicContact CG2-CB 4.29Å; T184-L195 HydrophobicContact CG2-CD2 4.4Å; T184-L195 VanDerWaalsContact OG1-CD2 3.27Å; T184-L195 WeakPolarHBondContact OG1-CD2 3.31Å |
| 185 | T | 80.2 | Confident | 71.6 | Confident | 26 Ų | 26 | 49.7 Ų | 49.7 | 16% | 0.16 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 137.4 | 169.8 | 58.7 | 0 | 0 | 0 | 0 | 110.6 | R193 K194 T333 | T185-R193 WeakPolarHBondContact O-CA 3.44Å; T185-K194 PolarHBondContact N-O 2.04Å; T185-K194 PolarHBondContact O-N 2.85Å; T185-K194 WeakPolarHBondContact OG1-CE 3.47Å; T185-K194 WeakPolarHBondContact OG1-CG 3.26Å; T185-T333 HydrophobicContact CG2-CG2 3.94Å |
| 186 | S | 65.2 | Low | 73.7 | Confident | 93 Ų | 93 | 45.7 Ų | 45.7 | 65% | 0.65 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 139 | 163.4 | 56.6 | 0 | 0 | 0 | 0 | 108.8 | ||
| 187 | G | 54.4 | Low | 75.4 | Confident | 15 Ų | 15 | 44.5 Ų | 44.5 | 16% | 0.155 | 23% | 0.228 | C | C | . | . | trans | -59.1 | 147.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111 | F189 S190 E192 | G187-F189 PolarHBondContact O-N 3.37Å; G187-S190 WeakPolarHBondContact CA-OG 3.49Å; G187-E192 PolarHBondContact N-O 2.71Å | ||
| 188 | S | 47.7 | Very low | 76.7 | Confident | 39 Ų | 39 | 42.9 Ų | 42.9 | 27% | 0.273 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -59.7 | -26.5 | 177.4 | 26.4 | 0 | 0 | 0 | 0 | 112.8 | D451 | S188-D451 WeakPolarHBondContact CB-OD2 3.35Å; S188-D451 PolarHBondContact OG-OD2 2.82Å |
| 189 | F | 44.8 | Very low | 77.3 | Confident | 86 Ų | 86 | 40.8 Ų | 40.8 | 38% | 0.377 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -125.6 | -39.6 | 175.6 | -85 | -104.9 | 0 | 0 | 0 | 114.4 | G187 D451 R452 R568 | G187-F189 PolarHBondContact O-N 3.37Å; F189-D451 HydrophobicContact CD2-CB 3.86Å; F189-D451 WeakPolarHBondContact CD2-OD2 3.47Å; F189-D451 HydrophobicContact CE2-CB 4.45Å; F189-D451 WeakPolarHBondContact CE2-O 3.28Å; F189-D451 HydrophobicContact CG-CB 4.25Å; F189-D451 WeakPolarHBondContact CZ-O 3.36Å; F189-R452 HydrophobicContact CD2-CG 4.5Å; F189-R452 HydrophobicContact CE2-CG 3.43Å; F189-R452 VanDerWaalsContact CE2-CG 3.43Å; F189-R452 HydrophobicContact CZ-CG 3.82Å; F189-R568 PolarHBondContact O-NH2 2.81Å |
| 190 | S | 46.4 | Very low | 77.3 | Confident | 57 Ų | 57 | 40.7 Ų | 40.7 | 40% | 0.399 | 21% | 0.211 | S | C | . | . | trans | -64.8 | 139.2 | 179.6 | 60.6 | 0 | 0 | 0 | 0 | 111.8 | G187 E192 | G187-S190 WeakPolarHBondContact CA-OG 3.49Å; S190-E192 PolarHBondContact O-N 3.3Å; S190-E192 PolarHBondContact OG-O 2.66Å | ||
| 191 | K | 50.8 | Low | 77.1 | Confident | 201 Ų | 201 | 40.9 Ų | 40.9 | 87% | 0.874 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -67.9 | -24.6 | 168.3 | -70.1 | 179.6 | 179.1 | 175.1 | 0 | 111.8 | ||
| 192 | E | 59.2 | Low | 76.8 | Confident | 133 Ų | 133 | 40.9 Ų | 40.9 | 62% | 0.621 | 21% | 0.212 | S | C | * | . | trans | -58.2 | 135.1 | 173.9 | -68.7 | 161.6 | -140.1 | 0 | 0 | 111.8 | G187 S190 | G187-E192 PolarHBondContact N-O 2.71Å; S190-E192 PolarHBondContact O-N 3.3Å; S190-E192 PolarHBondContact OG-O 2.66Å | ||
| 193 | R | 74.1 | Confident | 76.6 | Confident | 111 Ų | 111 | 40.9 Ų | 40.9 | 42% | 0.419 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 147.5 | 168.6 | -56 | -176.2 | -168.9 | 170.2 | 14.2 | 108.7 | H105 T184 T185 | H105-R193 PolarHBondContact CD2-NH1 3.5Å; H105-R193 PolarHBondContact CD2-NH2 3.11Å; H105-R193 PolarHBondContact CE1-NH1 3.21Å; H105-R193 VanDerWaalsContact CG-NH1 3.34Å; H105-R193 PolarHBondContact ND1-NH1 3.5Å; H105-R193 VanDerWaalsContact ND1-NH1 3.12Å; H105-R193 VanDerWaalsContact NE2-CZ 3.3Å; H105-R193 PolarHBondContact NE2-NH1 2.9Å; H105-R193 PolarHBondContact NE2-NH2 2.78Å; T184-R193 HydrophobicContact CG2-CB 4.29Å; T185-R193 WeakPolarHBondContact O-CA 3.44Å |
| 194 | K | 86.5 | Confident | 76.5 | Confident | 37 Ų | 37 | 40.8 Ų | 40.8 | 16% | 0.161 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142.8 | 171.4 | 66.6 | -165.6 | 179.7 | -177.1 | 0 | 109.4 | T185 E334 I403 L404 R405 | T185-K194 PolarHBondContact N-O 2.04Å; T185-K194 PolarHBondContact O-N 2.85Å; T185-K194 WeakPolarHBondContact OG1-CE 3.47Å; T185-K194 WeakPolarHBondContact OG1-CG 3.26Å; K194-E334 WeakPolarHBondContact CE-OE1 3.31Å; K194-E334 IonicContact NZ-OE1 2.82Å; K194-E334 PolarHBondContact NZ-OE1 2.78Å; K194-I403 HydrophobicContact CB-CG2 3.93Å; K194-I403 HydrophobicContact CD-CG2 3.99Å; K194-I403 HydrophobicContact CG-CG2 4.21Å; K194-L404 CarbonylContact C-O 3.56Å; K194-L404 WeakPolarHBondContact CA-O 3.24Å; K194-R405 HydrophobicContact CB-CG 4.38Å |
| 195 | L | 91.3 | Very high | 76.7 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 131.8 | 167.8 | -58.5 | 177 | 0 | 0 | 0 | 107.9 | F96 T109 L110 I182 L183 T184 I403 L404 I411 | F96-L195 HydrophobicContact CE2-CD2 4.15Å; T109-L195 HydrophobicContact CG2-CD1 4.13Å; L110-L195 HydrophobicContact CD1-CD1 4.28Å; L110-L195 HydrophobicContact CD2-CD1 3.83Å; L110-L195 HydrophobicContact CG-CD1 4.02Å; I182-L195 HydrophobicContact CG2-CB 3.98Å; I182-L195 HydrophobicContact CG2-CD1 4.49Å; I182-L195 HydrophobicContact CG2-CD2 4.44Å; L183-L195 CarbonylContact O-C 3.5Å; L183-L195 WeakPolarHBondContact O-CA 3.17Å; T184-L195 HydrophobicContact CG2-CD2 4.4Å; T184-L195 VanDerWaalsContact OG1-CD2 3.27Å; T184-L195 WeakPolarHBondContact OG1-CD2 3.31Å; L195-I403 CarbonylContact O-C 3.57Å; L195-I403 WeakPolarHBondContact O-CA 3.29Å; L195-L404 HydrophobicContact CB-CB 4.14Å; L195-L404 PolarHBondContact N-O 2.94Å; L195-L404 PolarHBondContact O-N 2.9Å; L195-I411 HydrophobicContact CD1-CD1 4.25Å; L195-I411 HydrophobicContact CD1-CG1 3.74Å |
| 196 | V | 93.4 | Very high | 77.3 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 115.7 | 171 | -172.3 | 0 | 0 | 0 | 0 | 107.9 | I182 L183 V198 T333 E334 | I182-V196 CarbonylContact C-O 3.57Å; I182-V196 VanDerWaalsContact CA-O 3.3Å; I182-V196 WeakPolarHBondContact CA-O 3.28Å; L183-V196 PolarHBondContact N-O 2.97Å; L183-V196 PolarHBondContact O-N 3.13Å; V196-V198 HydrophobicContact CG1-CG2 3.9Å; V196-T333 HydrophobicContact CB-CG2 4.21Å; V196-T333 HydrophobicContact CG2-CG2 4.12Å; V196-E334 HydrophobicContact CG2-CG 4.24Å |
| 197 | C | 93.8 | Very high | 78.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 129.9 | 169.9 | -67.8 | 0 | 0 | 0 | 0 | 108.3 | L179 F401 Y402 L423 | L179-C197 HydrophobicContact CD1-CB 3.57Å; C197-F401 CarbonylContact O-C 3.54Å; C197-F401 VanDerWaalsContact O-CA 3.24Å; C197-F401 WeakPolarHBondContact O-CA 3.42Å; C197-Y402 PolarHBondContact N-O 2.87Å; C197-Y402 PolarHBondContact O-N 3.31Å; C197-L423 HydrophobicContact CB-CD2 4.26Å |
| 198 | V | 92.8 | Very high | 80.5 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 137.4 | -177.3 | 167.1 | 0 | 0 | 0 | 0 | 110.7 | L179 I180 Y181 V196 C202 S336 | L179-V198 WeakPolarHBondContact CD1-O 3.19Å; I180-V198 HydrophobicContact CG2-CG1 4.18Å; I180-V198 WeakPolarHBondContact CG2-O 3.31Å; I180-V198 PolarHBondContact N-O 2.76Å; Y181-V198 HydrophobicContact CD1-CB 4.23Å; Y181-V198 HydrophobicContact CD1-CG1 4.14Å; Y181-V198 HydrophobicContact CD2-CB 3.97Å; Y181-V198 HydrophobicContact CD2-CG2 4.23Å; Y181-V198 HydrophobicContact CE1-CB 3.9Å; Y181-V198 HydrophobicContact CE1-CG1 3.57Å; Y181-V198 HydrophobicContact CE1-CG2 4.39Å; Y181-V198 HydrophobicContact CE2-CB 3.62Å; Y181-V198 HydrophobicContact CE2-CG1 4.19Å; Y181-V198 HydrophobicContact CE2-CG2 3.49Å; Y181-V198 VanDerWaalsContact CE2-CG2 3.49Å; Y181-V198 HydrophobicContact CG-CB 4.26Å; Y181-V198 PolarHBondContact N-O 3.46Å; Y181-V198 PolarHBondContact O-N 2.9Å; V196-V198 HydrophobicContact CG1-CG2 3.9Å; V198-C202 HydrophobicContact CG1-CB 4.14Å; V198-S336 WeakPolarHBondContact CG1-OG 3.49Å; V198-S336 VanDerWaalsContact CG2-OG 3.3Å; V198-S336 WeakPolarHBondContact CG2-OG 3.39Å |
| 199 | A | 90.5 | Very high | 82.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 158.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K177 H178 S201 C202 G400 | K177-A199 WeakPolarHBondContact O-CB 3.22Å; H178-A199 CarbonylContact O-C 3.28Å; H178-A199 WeakPolarHBondContact O-CA 3.42Å; H178-A199 VanDerWaalsContact O-CB 3.31Å; H178-A199 WeakPolarHBondContact O-CB 3.29Å; A199-S201 PolarHBondContact O-N 3.11Å; A199-C202 WeakPolarHBondContact O-CB 3.44Å; A199-C202 PolarHBondContact O-N 3Å; A199-G400 PolarHBondContact N-O 3.01Å |
| 200 | D | 90.3 | Very high | 84.9 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.011 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -50.5 | -54.6 | -178.9 | -176.1 | -55.6 | 0 | 0 | 0 | 112.5 | Y8 L9 H178 I180 C202 L203 T204 | Y8-D200 WeakPolarHBondContact CA-OD1 3.46Å; L9-D200 WeakPolarHBondContact CB-OD2 3.43Å; L9-D200 VanDerWaalsContact N-CG 3.33Å; L9-D200 PolarHBondContact N-OD1 3.44Å; L9-D200 VanDerWaalsContact N-OD1 3.07Å; L9-D200 PolarHBondContact N-OD2 3.13Å; H178-D200 IonicContact CE1-OD2 3.72Å; H178-D200 IonicContact NE2-OD2 3.58Å; H178-D200 PolarHBondContact O-N 2.91Å; I180-D200 HydrophobicContact CB-CB 4.29Å; I180-D200 HydrophobicContact CG1-CB 4.5Å; D200-C202 PolarHBondContact O-N 2.84Å; D200-L203 PolarHBondContact O-N 2.83Å; D200-T204 WeakPolarHBondContact O-CB 3.42Å; D200-T204 PolarHBondContact O-N 3.38Å; D200-T204 PolarHBondContact O-OG1 3.29Å; D200-T204 WeakPolarHBondContact OD1-CB 3.45Å; D200-T204 PolarHBondContact OD1-OG1 3.13Å |
| 201 | S | 88 | Confident | 87.1 | Confident | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -50.8 | -33.2 | -176.7 | 49.1 | 0 | 0 | 0 | 0 | 114.7 | N176 A199 A205 | N176-S201 WeakPolarHBondContact O-CB 3.3Å; N176-S201 PolarHBondContact O-N 3.01Å; N176-S201 VanDerWaalsContact O-N 3.12Å; N176-S201 PolarHBondContact O-OG 2.9Å; A199-S201 PolarHBondContact O-N 3.11Å; S201-A205 PolarHBondContact O-N 2.66Å |
| 202 | C | 87.9 | Confident | 88.9 | Confident | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.007 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67 | -53.5 | 177.1 | -86.7 | 0 | 0 | 0 | 0 | 112.2 | V198 A199 D200 S336 R396 G399 G400 | V198-C202 HydrophobicContact CG1-CB 4.14Å; A199-C202 WeakPolarHBondContact O-CB 3.44Å; A199-C202 PolarHBondContact O-N 3Å; D200-C202 PolarHBondContact O-N 2.84Å; C202-S336 VanDerWaalsContact CB-OG 3.25Å; C202-S336 WeakPolarHBondContact CB-OG 3.5Å; C202-R396 PolarHBondContact O-NH2 3.07Å; C202-G399 PolarHBondContact SG-O 3.04Å; C202-G400 VanDerWaalsContact SG-C 3.57Å; C202-G400 VanDerWaalsContact SG-CA 3.59Å; C202-G400 PolarHBondContact SG-O 3.48Å |
| 203 | L | 89.6 | Confident | 90.1 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -70.8 | -37.8 | -179.3 | 176.1 | 59 | 0 | 0 | 0 | 111.4 | L9 Y181 D200 A205 N206 V207 I239 V240 | L9-L203 HydrophobicContact CD1-CD2 4.06Å; L9-L203 HydrophobicContact CD1-CG 3.96Å; L9-L203 HydrophobicContact CD2-CD2 3.47Å; L9-L203 VanDerWaalsContact CD2-CD2 3.47Å; L9-L203 HydrophobicContact CD2-CG 4.23Å; L9-L203 HydrophobicContact CG-CD2 4.42Å; Y181-L203 HydrophobicContact CD1-CD2 4.07Å; Y181-L203 HydrophobicContact CE1-CB 4.39Å; Y181-L203 HydrophobicContact CE1-CD2 3.83Å; D200-L203 PolarHBondContact O-N 2.83Å; L203-A205 PolarHBondContact O-N 3.47Å; L203-N206 VanDerWaalsContact O-CB 3.26Å; L203-N206 WeakPolarHBondContact O-CB 3.19Å; L203-N206 PolarHBondContact O-N 2.98Å; L203-N206 VanDerWaalsContact O-N 3.12Å; L203-V207 HydrophobicContact CD1-CG2 4.49Å; L203-V207 PolarHBondContact O-N 2.93Å; L203-V207 VanDerWaalsContact O-N 3.14Å; L203-I239 HydrophobicContact CD1-CB 4.42Å; L203-I239 HydrophobicContact CD2-CB 4.01Å; L203-I239 HydrophobicContact CD2-CG2 3.42Å; L203-I239 VanDerWaalsContact CD2-CG2 3.42Å; L203-V240 HydrophobicContact CD1-CG2 3.63Å |
| 204 | T | 92.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -66 | -37 | -178.4 | -60.6 | 0 | 0 | 0 | 0 | 112.5 | C7 L9 D200 N206 V207 I208 | C7-T204 VanDerWaalsContact O-CG2 3.29Å; C7-T204 WeakPolarHBondContact O-CG2 3.38Å; C7-T204 VanDerWaalsContact SG-CG2 3.54Å; L9-T204 VanDerWaalsContact CA-OG1 3.26Å; L9-T204 WeakPolarHBondContact CA-OG1 3.46Å; L9-T204 WeakPolarHBondContact CB-OG1 3.45Å; L9-T204 PolarHBondContact N-OG1 3.3Å; L9-T204 VanDerWaalsContact N-OG1 3.11Å; D200-T204 WeakPolarHBondContact O-CB 3.42Å; D200-T204 PolarHBondContact O-N 3.38Å; D200-T204 PolarHBondContact O-OG1 3.29Å; D200-T204 WeakPolarHBondContact OD1-CB 3.45Å; D200-T204 PolarHBondContact OD1-OG1 3.13Å; T204-N206 VanDerWaalsContact C-N 3.29Å; T204-N206 PolarHBondContact O-N 3.1Å; T204-V207 PolarHBondContact O-N 2.9Å; T204-I208 HydrophobicContact CG2-CG1 4.1Å; T204-I208 WeakPolarHBondContact O-CB 3.5Å; T204-I208 WeakPolarHBondContact O-CG1 3.26Å; T204-I208 PolarHBondContact O-N 2.87Å |
| 205 | A | 92.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -64.8 | -32.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W5 S201 L203 D209 L375 R396 | W5-A205 HydrophobicContact CD2-CB 4.3Å; W5-A205 HydrophobicContact CG-CB 4.43Å; W5-A205 HydrophobicContact CZ2-CB 3.85Å; S201-A205 PolarHBondContact O-N 2.66Å; L203-A205 PolarHBondContact O-N 3.47Å; A205-D209 WeakPolarHBondContact O-CB 3.24Å; A205-D209 PolarHBondContact O-N 2.69Å; A205-L375 HydrophobicContact CB-CB 4.27Å; A205-L375 HydrophobicContact CB-CD2 4.17Å; A205-L375 HydrophobicContact CB-CG 4.05Å; A205-L375 WeakPolarHBondContact CB-O 3.32Å; A205-R396 VanDerWaalsContact CB-NH2 3.25Å |
| 206 | N | 92.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.2 | -48.4 | 172.8 | -97 | -134.7 | 0 | 0 | 0 | 111 | L203 T204 L210 V240 S336 W338 | L203-N206 VanDerWaalsContact O-CB 3.26Å; L203-N206 WeakPolarHBondContact O-CB 3.19Å; L203-N206 PolarHBondContact O-N 2.98Å; L203-N206 VanDerWaalsContact O-N 3.12Å; T204-N206 VanDerWaalsContact C-N 3.29Å; T204-N206 PolarHBondContact O-N 3.1Å; N206-L210 WeakPolarHBondContact O-CB 3.06Å; N206-L210 VanDerWaalsContact O-CG 3.26Å; N206-L210 WeakPolarHBondContact O-CG 3.43Å; N206-L210 PolarHBondContact O-N 2.84Å; N206-L210 VanDerWaalsContact O-N 3.11Å; N206-V240 HydrophobicContact CB-CG2 4.34Å; N206-S336 PolarHBondContact OD1-O 3.21Å; N206-W338 PolarHBondContact ND2-O 3.18Å; N206-W338 WeakPolarHBondContact OD1-CA 3.27Å; N206-W338 WeakPolarHBondContact OD1-CB 3.4Å; N206-W338 PolarHBondContact OD1-N 3.16Å; N206-W338 PolarHBondContact OD1-O 2.97Å |
| 207 | V | 94.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.7 | -46.7 | -179.7 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | L9 C12 L203 T204 G211 L247 | L9-V207 HydrophobicContact CD1-CG2 4.09Å; C12-V207 HydrophobicContact CB-CG1 3.8Å; L203-V207 HydrophobicContact CD1-CG2 4.49Å; L203-V207 PolarHBondContact O-N 2.93Å; L203-V207 VanDerWaalsContact O-N 3.14Å; T204-V207 PolarHBondContact O-N 2.9Å; V207-G211 PolarHBondContact O-N 2.75Å; V207-L247 HydrophobicContact CG1-CD2 3.72Å |
| 208 | I | 92.9 | Very high | 84.6 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.5 | -39.5 | 179.7 | -65.6 | -64.7 | 0 | 0 | 0 | 112 | L3 W5 T204 G211 N212 L247 L375 | L3-I208 HydrophobicContact CB-CD1 3.77Å; L3-I208 HydrophobicContact CD1-CD1 4.3Å; W5-I208 HydrophobicContact CB-CG2 4.16Å; T204-I208 HydrophobicContact CG2-CG1 4.1Å; T204-I208 WeakPolarHBondContact O-CB 3.5Å; T204-I208 WeakPolarHBondContact O-CG1 3.26Å; T204-I208 PolarHBondContact O-N 2.87Å; I208-G211 PolarHBondContact O-N 3.33Å; I208-N212 WeakPolarHBondContact CG2-ND2 3.4Å; I208-N212 WeakPolarHBondContact O-CB 3.3Å; I208-N212 PolarHBondContact O-N 2.82Å; I208-N212 PolarHBondContact O-ND2 2.57Å; I208-L247 HydrophobicContact CD1-CD2 4.13Å; I208-L375 HydrophobicContact CB-CD2 4.38Å; I208-L375 HydrophobicContact CG2-CD2 4.09Å |
| 209 | D | 92.6 | Very high | 82.7 | Confident | 14 Ų | 14 | 29.3 Ų | 29.3 | 8% | 0.075 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.7 | -44.6 | 178.5 | -162.7 | 16.6 | 0 | 0 | 0 | 112 | A205 R213 M374 L375 | A205-D209 WeakPolarHBondContact O-CB 3.24Å; A205-D209 PolarHBondContact O-N 2.69Å; D209-R213 VanDerWaalsContact CG-NE 3.27Å; D209-R213 VanDerWaalsContact CG-NH2 3.29Å; D209-R213 WeakPolarHBondContact O-CB 3.49Å; D209-R213 WeakPolarHBondContact O-CG 3.37Å; D209-R213 PolarHBondContact O-N 2.95Å; D209-R213 IonicContact OD1-CZ 3.56Å; D209-R213 IonicContact OD1-NE 3.36Å; D209-R213 PolarHBondContact OD1-NE 2.66Å; D209-R213 IonicContact OD1-NH2 2.87Å; D209-R213 PolarHBondContact OD1-NH2 3.41Å; D209-R213 IonicContact OD2-CZ 2.94Å; D209-R213 IonicContact OD2-NE 2.89Å; D209-R213 PolarHBondContact OD2-NE 3.09Å; D209-R213 IonicContact OD2-NH2 3.14Å; D209-R213 PolarHBondContact OD2-NH2 2.97Å; D209-M374 HydrophobicContact CB-CE 4.29Å; D209-M374 VanDerWaalsContact OD2-CA 3.26Å; D209-M374 WeakPolarHBondContact OD2-CA 3.07Å; D209-M374 VanDerWaalsContact OD2-CB 3.27Å; D209-M374 WeakPolarHBondContact OD2-CB 3.46Å; D209-L375 HydrophobicContact CB-CB 3.62Å; D209-L375 HydrophobicContact CB-CD2 4.39Å; D209-L375 PolarHBondContact OD2-N 2.98Å |
| 210 | L | 92.3 | Very high | 80.6 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.1 | -43.9 | 174.4 | -63.9 | 169.7 | 0 | 0 | 0 | 110.8 | N206 N212 R213 F214 V240 F244 W277 L305 I329 M374 | N206-L210 WeakPolarHBondContact O-CB 3.06Å; N206-L210 VanDerWaalsContact O-CG 3.26Å; N206-L210 WeakPolarHBondContact O-CG 3.43Å; N206-L210 PolarHBondContact O-N 2.84Å; N206-L210 VanDerWaalsContact O-N 3.11Å; L210-N212 PolarHBondContact O-N 3.48Å; L210-R213 PolarHBondContact O-N 2.91Å; L210-F214 HydrophobicContact CB-CD2 4.28Å; L210-F214 HydrophobicContact CD2-CD2 4.3Å; L210-F214 HydrophobicContact CD2-CE2 3.74Å; L210-F214 WeakPolarHBondContact O-CB 3.5Å; L210-F214 WeakPolarHBondContact O-CD2 3.5Å; L210-F214 PolarHBondContact O-N 3.03Å; L210-V240 HydrophobicContact CD1-CG1 3.41Å; L210-V240 VanDerWaalsContact CD1-CG1 3.41Å; L210-F244 HydrophobicContact CB-CD2 3.9Å; L210-F244 HydrophobicContact CB-CE2 4.13Å; L210-W277 HydrophobicContact CD1-CZ2 4.39Å; L210-L305 HydrophobicContact CD2-CD2 4.14Å; L210-I329 HydrophobicContact CD2-CD1 4.1Å; L210-M374 HydrophobicContact CD1-CE 4.32Å; L210-M374 HydrophobicContact CD2-CE 3.87Å; L210-M374 HydrophobicContact CG-CE 3.83Å |
| 211 | G | 91 | Very high | 78.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -52.4 | -54.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V207 I208 R213 F214 S215 | V207-G211 PolarHBondContact O-N 2.75Å; I208-G211 PolarHBondContact O-N 3.33Å; G211-R213 VanDerWaalsContact C-N 3.33Å; G211-R213 PolarHBondContact O-N 2.63Å; G211-F214 PolarHBondContact O-N 3.49Å; G211-S215 WeakPolarHBondContact O-CB 3.45Å; G211-S215 PolarHBondContact O-N 3.19Å; G211-S215 PolarHBondContact O-OG 2.57Å |
| 212 | N | 88.6 | Confident | 76.8 | Confident | 85 Ų | 85 | 48 Ų | 48 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.9 | -35.5 | 179.9 | -72.9 | -25.3 | 0 | 0 | 0 | 113.2 | I208 L210 | I208-N212 WeakPolarHBondContact CG2-ND2 3.4Å; I208-N212 WeakPolarHBondContact O-CB 3.3Å; I208-N212 PolarHBondContact O-N 2.82Å; I208-N212 PolarHBondContact O-ND2 2.57Å; L210-N212 PolarHBondContact O-N 3.48Å |
| 213 | R | 85.9 | Confident | 75.5 | Confident | 63 Ų | 63 | 54.4 Ų | 54.4 | 24% | 0.238 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -75.8 | -25.1 | 178.8 | -70.2 | 175.9 | -156.8 | -98.6 | 10.1 | 114.8 | D209 L210 G211 I356 | D209-R213 VanDerWaalsContact CG-NE 3.27Å; D209-R213 VanDerWaalsContact CG-NH2 3.29Å; D209-R213 WeakPolarHBondContact O-CB 3.49Å; D209-R213 WeakPolarHBondContact O-CG 3.37Å; D209-R213 PolarHBondContact O-N 2.95Å; D209-R213 IonicContact OD1-CZ 3.56Å; D209-R213 IonicContact OD1-NE 3.36Å; D209-R213 PolarHBondContact OD1-NE 2.66Å; D209-R213 IonicContact OD1-NH2 2.87Å; D209-R213 PolarHBondContact OD1-NH2 3.41Å; D209-R213 IonicContact OD2-CZ 2.94Å; D209-R213 IonicContact OD2-NE 2.89Å; D209-R213 PolarHBondContact OD2-NE 3.09Å; D209-R213 IonicContact OD2-NH2 3.14Å; D209-R213 PolarHBondContact OD2-NH2 2.97Å; L210-R213 PolarHBondContact O-N 2.91Å; G211-R213 VanDerWaalsContact C-N 3.33Å; G211-R213 PolarHBondContact O-N 2.63Å; R213-I356 VanDerWaalsContact NH1-CG2 3.27Å |
| 214 | F | 86 | Confident | 74.3 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 1% | 0.013 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -116.6 | 0.2 | -171.8 | -66.4 | -69.3 | 0 | 0 | 0 | 115.3 | L210 G211 F244 W277 H303 L305 Y327 | L210-F214 HydrophobicContact CB-CD2 4.28Å; L210-F214 HydrophobicContact CD2-CD2 4.3Å; L210-F214 HydrophobicContact CD2-CE2 3.74Å; L210-F214 WeakPolarHBondContact O-CB 3.5Å; L210-F214 WeakPolarHBondContact O-CD2 3.5Å; L210-F214 PolarHBondContact O-N 3.03Å; G211-F214 PolarHBondContact O-N 3.49Å; F214-F244 HydrophobicContact CB-CE2 3.87Å; F214-F244 HydrophobicContact CB-CZ 3.71Å; F214-F244 HydrophobicContact CD2-CE2 4.06Å; F214-F244 HydrophobicContact CD2-CZ 4.27Å; F214-F244 HydrophobicContact CG-CE2 4.35Å; F214-F244 HydrophobicContact CG-CZ 4.23Å; F214-W277 AromaticContact CD2-NE1 3.64Å; F214-W277 AromaticContact CE2-NE1 3.83Å; F214-W277 AromaticContact CG-NE1 3.87Å; F214-H303 AromaticContact CD1-CE1 3.73Å; F214-H303 AromaticContact CD1-CG 3.93Å; F214-H303 AromaticContact CD1-ND1 3.56Å; F214-H303 HydrophobicContact CE1-CB 4.28Å; F214-H303 AromaticContact CE1-CE1 3.87Å; F214-H303 AromaticContact CE1-CG 3.88Å; F214-H303 AromaticContact CE1-ND1 3.3Å; F214-H303 VanDerWaalsContact CE1-ND1 3.3Å; F214-H303 WeakPolarHBondContact CE1-ND1 3.36Å; F214-L305 HydrophobicContact CE2-CD2 4.02Å; F214-L305 HydrophobicContact CZ-CD1 4.25Å; F214-L305 HydrophobicContact CZ-CD2 4.07Å; F214-L305 HydrophobicContact CZ-CG 4.42Å; F214-Y327 HydrophobicContact CE1-CD2 4.36Å; F214-Y327 HydrophobicContact CE1-CE1 4.28Å; F214-Y327 AromaticContact CE1-CE2 3.58Å; F214-Y327 HydrophobicContact CE1-CE2 3.58Å; F214-Y327 AromaticContact CE1-CZ 3.53Å; F214-Y327 WeakPolarHBondContact CE1-OH 3.35Å; F214-Y327 HydrophobicContact CZ-CD1 4.48Å; F214-Y327 HydrophobicContact CZ-CD2 4.2Å; F214-Y327 HydrophobicContact CZ-CE1 4.12Å; F214-Y327 AromaticContact CZ-CE2 3.83Å; F214-Y327 HydrophobicContact CZ-CE2 3.83Å; F214-Y327 AromaticContact CZ-CZ 3.79Å |
| 215 | S | 70.5 | Confident | 73.8 | Confident | 47 Ų | 47 | 59.6 Ų | 59.6 | 33% | 0.329 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -93.5 | -10.2 | -175.2 | -61.7 | 0 | 0 | 0 | 0 | 116.2 | M1 G211 | M1-S215 WeakPolarHBondContact CE-OG 3.39Å; M1-S215 PolarHBondContact SD-OG 3.06Å; G211-S215 WeakPolarHBondContact O-CB 3.45Å; G211-S215 PolarHBondContact O-N 3.19Å; G211-S215 PolarHBondContact O-OG 2.57Å |
| 216 | S | 58.6 | Low | 73.8 | Confident | 98 Ų | 98 | 59.7 Ų | 59.7 | 69% | 0.685 | 31% | 0.313 | S | S | * | . | trans | -84.2 | -7.3 | -176.2 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | K218 | S216-K218 PolarHBondContact O-N 2.89Å; S216-K218 VanDerWaalsContact O-N 3.09Å | ||
| 217 | E | 57.8 | Low | 74 | Confident | 62 Ų | 62 | 59.7 Ų | 59.7 | 29% | 0.29 | 31% | 0.313 | S | S | . | . | trans | -79.3 | 91.7 | -177.6 | -67.5 | -173.1 | -179.1 | 0 | 0 | 111.6 | H219 H303 | E217-H219 WeakPolarHBondContact CB-NE2 3.48Å; E217-H219 PolarHBondContact O-N 2.74Å; E217-H219 IonicContact OE2-CE1 3.76Å; E217-H219 IonicContact OE2-NE2 3.57Å; E217-H219 PolarHBondContact OE2-NE2 3.23Å; E217-H303 VanDerWaalsContact CD-NE2 3.31Å; E217-H303 IonicContact OE1-CE1 3.75Å; E217-H303 PolarHBondContact OE1-CE1 2.63Å; E217-H303 IonicContact OE1-NE2 2.7Å; E217-H303 PolarHBondContact OE1-NE2 2.91Å; E217-H303 IonicContact OE2-CD2 3.59Å; E217-H303 IonicContact OE2-CE1 2.88Å; E217-H303 PolarHBondContact OE2-CE1 3.13Å; E217-H303 IonicContact OE2-NE2 3.24Å; E217-H303 PolarHBondContact OE2-NE2 2.97Å | ||
| 218 | K | 51.1 | Low | 74.1 | Confident | 185 Ų | 185 | 59.7 Ų | 59.7 | 80% | 0.804 | 31% | 0.313 | S | S | * | . | trans | -62.3 | 99 | 162.3 | -72.6 | -173.5 | 176.9 | -177.2 | 0 | 108.9 | S216 H220 | S216-K218 PolarHBondContact O-N 2.89Å; S216-K218 VanDerWaalsContact O-N 3.09Å; K218-H220 PolarHBondContact O-CD2 3.35Å; K218-H220 PolarHBondContact O-N 2.93Å | ||
| 219 | H | 51.8 | Low | 74.3 | Confident | 51 Ų | 51 | 59.9 Ų | 59.9 | 24% | 0.236 | 31% | 0.314 | C | S | . | . | trans | -67.1 | 101.3 | 179.9 | -63.1 | -47.9 | 0 | 0 | 0 | 111 | E217 G221 S301 H303 | E217-H219 WeakPolarHBondContact CB-NE2 3.48Å; E217-H219 PolarHBondContact O-N 2.74Å; E217-H219 IonicContact OE2-CE1 3.76Å; E217-H219 IonicContact OE2-NE2 3.57Å; E217-H219 PolarHBondContact OE2-NE2 3.23Å; H219-G221 PolarHBondContact O-N 2.86Å; H219-S301 WeakPolarHBondContact CE1-CB 3.44Å; H219-S301 PolarHBondContact CE1-OG 3.41Å; H219-S301 PolarHBondContact ND1-OG 3.29Å; H219-S301 WeakPolarHBondContact NE2-CB 3.25Å; H219-H303 AromaticContact NE2-NE2 3.97Å | ||
| 220 | H | 47.1 | Very low | 74.3 | Confident | 175 Ų | 175 | 59.3 Ų | 59.3 | 81% | 0.81 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -68 | 91.2 | 174.2 | -71.8 | -77.8 | 0 | 0 | 0 | 110.9 | K218 | K218-H220 PolarHBondContact O-CD2 3.35Å; K218-H220 PolarHBondContact O-N 2.93Å |
| 221 | G | 48 | Very low | 74.3 | Confident | 78 Ų | 78 | 59.5 Ų | 59.5 | 80% | 0.804 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 82.7 | 9.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | H219 | H219-G221 PolarHBondContact O-N 2.86Š|
| 222 | Y | 51 | Low | 74.3 | Confident | 145 Ų | 145 | 59.8 Ų | 59.8 | 57% | 0.569 | 31% | 0.314 | S | S | * | . | trans | -120.1 | 119.7 | 177.6 | -73.3 | -80.9 | 0 | 0 | 0 | 111.7 | V224 P300 | Y222-V224 PolarHBondContact O-N 2.88Å; Y222-P300 HydrophobicContact CD2-CG 4.43Å; Y222-P300 HydrophobicContact CE1-CG 4.47Å; Y222-P300 HydrophobicContact CE2-CG 4.22Å | ||
| 223 | E | 59.6 | Low | 74.5 | Confident | 134 Ų | 134 | 55.8 Ų | 55.8 | 63% | 0.626 | 29% | 0.293 | S | S | * | . | trans | -75.6 | 42.1 | -173.5 | -52.8 | 167.5 | 81.5 | 0 | 0 | 114.6 | N225 K274 | E223-N225 VanDerWaalsContact C-N 3.33Å; E223-N225 PolarHBondContact O-N 3.3Å; E223-K274 HydrophobicContact CB-CD 3.98Å; E223-K274 WeakPolarHBondContact O-CD 3.19Å; E223-K274 IonicContact OE1-NZ 3.58Å; E223-K274 PolarHBondContact OE1-NZ 3.47Å; E223-K274 IonicContact OE2-NZ 2.55Å; E223-K274 PolarHBondContact OE2-NZ 2.82Å | ||
| 224 | V | 63.4 | Low | 74.7 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 16% | 0.158 | 29% | 0.288 | C | S | . | . | trans | -88.8 | 65.2 | -167.3 | -140.1 | 0 | 0 | 0 | 0 | 112.2 | Y222 R250 K274 G276 | Y222-V224 PolarHBondContact O-N 2.88Å; V224-R250 PolarHBondContact O-NH1 2.7Å; V224-K274 CarbonylContact C-O 3.59Å; V224-K274 WeakPolarHBondContact CG1-O 3.24Å; V224-G276 VanDerWaalsContact CG1-CA 3.42Å | ||
| 225 | N | 82.3 | Confident | 74.9 | Confident | 83 Ų | 83 | 54.6 Ų | 54.6 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | trans | -92.9 | -4.4 | -167.6 | -69.6 | 6 | 0 | 0 | 0 | 115.5 | E223 R250 T251 K274 | E223-N225 VanDerWaalsContact C-N 3.33Å; E223-N225 PolarHBondContact O-N 3.3Å; N225-R250 CarbonylContact O-C 3.45Å; N225-R250 VanDerWaalsContact O-CA 3.27Å; N225-R250 WeakPolarHBondContact O-CA 3.34Å; N225-R250 WeakPolarHBondContact O-CB 3.35Å; N225-R250 WeakPolarHBondContact O-CG 3.46Å; N225-T251 PolarHBondContact O-N 3.1Å; N225-K274 PolarHBondContact N-O 3.5Å | ||
| 226 | G | 92.7 | Very high | 75.9 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 143.6 | -176 | 0 | 0 | 0 | 0 | 0 | 115.3 | T251 K274 V275 G276 W277 | G226-T251 WeakPolarHBondContact CA-O 3.26Å; G226-K274 PolarHBondContact N-O 2.76Å; G226-V275 CarbonylContact O-C 3.5Å; G226-V275 WeakPolarHBondContact O-CA 3.33Å; G226-G276 PolarHBondContact O-N 2.9Å; G226-W277 PolarHBondContact O-N 2.9Å |
| 227 | V | 96 | Very high | 77.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122.3 | 165.7 | 166.8 | 0 | 0 | 0 | 0 | 108 | Q241 F244 A245 R250 T251 L252 V253 W277 | V227-Q241 HydrophobicContact CG1-CB 4.49Å; V227-F244 HydrophobicContact CG1-CD1 4.44Å; V227-F244 HydrophobicContact CG2-CD1 3.78Å; V227-F244 HydrophobicContact CG2-CE1 3.94Å; V227-A245 HydrophobicContact CB-CB 3.96Å; V227-A245 HydrophobicContact CG1-CB 4.1Å; V227-A245 HydrophobicContact CG2-CB 4.16Å; V227-R250 HydrophobicContact CB-CB 4.49Å; V227-R250 HydrophobicContact CG2-CB 3.59Å; V227-R250 HydrophobicContact CG2-CG 4.23Å; V227-T251 PolarHBondContact N-O 3.02Å; V227-L252 HydrophobicContact CG1-CD1 4.1Å; V227-V253 PolarHBondContact O-N 2.65Å; V227-W277 HydrophobicContact CG1-CE3 3.98Å; V227-W277 HydrophobicContact CG1-CZ3 4.33Å; V227-W277 HydrophobicContact CG2-CB 4.13Å |
| 228 | L | 96.5 | Very high | 79.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 125.7 | -179.8 | -171.8 | 68.8 | 0 | 0 | 0 | 112.1 | A230 V253 L260 L266 L269 V275 W277 L278 | L228-A230 HydrophobicContact CD2-CB 4.01Å; L228-A230 HydrophobicContact CG-CB 4.11Å; L228-A230 PolarHBondContact O-N 3.06Å; L228-V253 HydrophobicContact CD1-CB 3.94Å; L228-V253 HydrophobicContact CD1-CG1 3.71Å; L228-L260 HydrophobicContact CD1-CD2 4.3Å; L228-L260 HydrophobicContact CD2-CD2 3.83Å; L228-L260 HydrophobicContact CG-CD2 4.19Å; L228-L266 HydrophobicContact CD2-CD1 3.37Å; L228-L269 HydrophobicContact CD1-CD2 3.76Å; L228-V275 HydrophobicContact CB-CG1 3.93Å; L228-V275 HydrophobicContact CB-CG2 4.27Å; L228-W277 PolarHBondContact N-O 3.25Å; L228-L278 HydrophobicContact CB-CD1 4.06Å; L228-L278 HydrophobicContact CD2-CD1 3.76Å; L228-L278 HydrophobicContact CG-CD1 4.44Å |
| 229 | L | 96.9 | Very high | 81.5 | Confident | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | trans | -73.5 | 67.4 | 167.6 | -167.3 | 68.7 | 0 | 0 | 0 | 110.2 | W75 T81 S231 S238 Q241 I242 L252 V253 I254 | W75-L229 HydrophobicContact CZ2-CD2 4.13Å; T81-L229 HydrophobicContact CG2-CD2 4.06Å; L229-S231 PolarHBondContact O-N 3.28Å; L229-S238 WeakPolarHBondContact CD1-O 3.34Å; L229-Q241 HydrophobicContact CD1-CB 3.84Å; L229-I242 HydrophobicContact CD1-CD1 4.39Å; L229-I242 HydrophobicContact CD1-CG1 3.91Å; L229-L252 HydrophobicContact CB-CD1 4.11Å; L229-L252 HydrophobicContact CB-CG 4.46Å; L229-L252 HydrophobicContact CD1-CD1 4.37Å; L229-V253 WeakPolarHBondContact CB-O 3.3Å; L229-V253 PolarHBondContact N-O 3.26Å; L229-I254 HydrophobicContact CB-CG1 4.28Å; L229-I254 HydrophobicContact CD2-CD1 4.28Å; L229-I254 HydrophobicContact CD2-CG1 3.95Å; L229-I254 HydrophobicContact CD2-CG2 4.17Å | ||
| 230 | A | 93.9 | Very high | 83.6 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | trans | -79.6 | -1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L228 Q241 L260 L278 C280 Q284 | L228-A230 HydrophobicContact CD2-CB 4.01Å; L228-A230 HydrophobicContact CG-CB 4.11Å; L228-A230 PolarHBondContact O-N 3.06Å; A230-Q241 VanDerWaalsContact N-OE1 3.15Å; A230-L260 HydrophobicContact CB-CD2 4.43Å; A230-L278 HydrophobicContact CB-CD1 3.95Å; A230-C280 HydrophobicContact CB-CB 4.15Å; A230-Q284 PolarHBondContact O-NE2 3.36Å; A230-Q284 VanDerWaalsContact O-NE2 3.12Å | ||
| 231 | S | 91.9 | Very high | 86 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 3% | 0.028 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -120.1 | 141.7 | 175.3 | -70.8 | 0 | 0 | 0 | 0 | 110.8 | L229 S238 | L229-S231 PolarHBondContact O-N 3.28Å; S231-S238 WeakPolarHBondContact O-CB 3.06Å |
| 232 | P | 90.6 | Very high | 88.3 | Confident | 6 Ų | 6 | 21.7 Ų | 21.7 | 4% | 0.039 | 11% | 0.105 | C | C | . | . | trans | -71.4 | 157.3 | 175.1 | 33.6 | -37 | 0 | 0 | 0 | 110.8 | W75 L99 T234 F235 S238 H562 | W75-P232 HydrophobicContact CE3-CB 4.21Å; W75-P232 HydrophobicContact CH2-CB 4.08Å; W75-P232 VanDerWaalsContact CZ3-CA 3.46Å; W75-P232 HydrophobicContact CZ3-CB 3.45Å; W75-P232 VanDerWaalsContact CZ3-CB 3.45Å; L99-P232 HydrophobicContact CD2-CB 4.28Å; P232-T234 PolarHBondContact O-N 3.14Å; P232-F235 HydrophobicContact CG-CB 4.44Å; P232-F235 PolarHBondContact O-N 2.55Å; P232-S238 PolarHBondContact O-OG 3.01Å; P232-H562 VanDerWaalsContact CG-CD2 3.47Å; P232-H562 WeakPolarHBondContact CG-CD2 3.31Å | ||
| 233 | L | 92.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -20 | -175.6 | -167 | 66.5 | 0 | 0 | 0 | 114.3 | V73 W75 I85 P97 F235 S238 I242 | V73-L233 HydrophobicContact CB-CD2 4.25Å; V73-L233 HydrophobicContact CG1-CD2 3.76Å; W75-L233 HydrophobicContact CB-CB 4.13Å; W75-L233 HydrophobicContact CB-CD2 3.94Å; W75-L233 VanDerWaalsContact CD1-CD2 3.48Å; W75-L233 HydrophobicContact CD2-CB 3.54Å; W75-L233 HydrophobicContact CD2-CD2 4.5Å; W75-L233 HydrophobicContact CE3-CB 4.04Å; W75-L233 HydrophobicContact CG-CB 3.59Å; W75-L233 HydrophobicContact CG-CD2 3.71Å; W75-L233 HydrophobicContact CG-CG 4.33Å; W75-L233 HydrophobicContact CZ2-CB 4.44Å; I85-L233 HydrophobicContact CD1-CD1 3.91Å; I85-L233 HydrophobicContact CD1-CD2 4.01Å; I85-L233 HydrophobicContact CD1-CG 4.45Å; I85-L233 HydrophobicContact CG1-CD1 3.92Å; I85-L233 HydrophobicContact CG1-CD2 4.3Å; P97-L233 HydrophobicContact CB-CB 4.31Å; P97-L233 HydrophobicContact CB-CD2 4.15Å; P97-L233 HydrophobicContact CB-CG 3.84Å; P97-L233 VanDerWaalsContact CB-O 3.31Å; P97-L233 WeakPolarHBondContact CB-O 3.19Å; P97-L233 HydrophobicContact CG-CD2 4.27Å; P97-L233 HydrophobicContact CG-CG 3.87Å; P97-L233 WeakPolarHBondContact CG-O 3.47Å; L233-F235 PolarHBondContact O-N 3.36Å; L233-S238 WeakPolarHBondContact CA-OG 3.44Å; L233-I242 HydrophobicContact CD1-CD1 4.19Å |
| 234 | T | 90.3 | Very high | 92.2 | Very high | 24 Ų | 24 | 8.4 Ų | 8.4 | 15% | 0.147 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 15.1 | 171.2 | 57.3 | 0 | 0 | 0 | 0 | 114.6 | P97 L99 P232 H562 | P97-T234 HydrophobicContact CB-CG2 4.03Å; L99-T234 HydrophobicContact CD2-CG2 4.08Å; L99-T234 HydrophobicContact CG-CG2 3.77Å; P232-T234 PolarHBondContact O-N 3.14Å; T234-H562 PolarHBondContact OG1-NE2 3.48Å |
| 235 | F | 90.1 | Very high | 93.7 | Very high | 17 Ų | 17 | 7.2 Ų | 7.2 | 8% | 0.075 | 4% | 0.041 | C | C | . | . | S | Bend | trans | -141.1 | 117.7 | 174.7 | -176.5 | -143.8 | 0 | 0 | 0 | 109.1 | P232 L233 P237 S238 H562 K564 | P232-F235 HydrophobicContact CG-CB 4.44Å; P232-F235 PolarHBondContact O-N 2.55Å; L233-F235 PolarHBondContact O-N 3.36Å; F235-P237 VanDerWaalsContact C-N 3.34Å; F235-P237 HydrophobicContact CD1-CB 4.47Å; F235-P237 HydrophobicContact CD1-CG 4.09Å; F235-P237 HydrophobicContact CD2-CG 4.18Å; F235-P237 HydrophobicContact CE1-CB 4.37Å; F235-P237 HydrophobicContact CE1-CG 3.75Å; F235-P237 HydrophobicContact CE2-CG 3.81Å; F235-P237 HydrophobicContact CG-CG 4.28Å; F235-P237 HydrophobicContact CZ-CG 3.58Å; F235-P237 VanDerWaalsContact O-N 3.13Å; F235-S238 VanDerWaalsContact O-CB 3.3Å; F235-S238 WeakPolarHBondContact O-CB 3.46Å; F235-S238 PolarHBondContact O-N 2.98Å; F235-S238 PolarHBondContact O-OG 3.06Å; F235-H562 VanDerWaalsContact CB-CD2 3.48Å; F235-H562 WeakPolarHBondContact CB-CD2 3.45Å; F235-H562 HydrophobicContact CD1-CB 4.02Å; F235-H562 HydrophobicContact CE1-CB 4.43Å; F235-H562 HydrophobicContact CG-CB 4.45Å; F235-K564 VanDerWaalsContact CZ-NZ 3.29Å |
| 236 | D | 93.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 3.5 Ų | 3.5 | 2% | 0.016 | 2% | 0.02 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.8 | -35.8 | -171.6 | 36 | -51 | 0 | 0 | 0 | 116.7 | Y181 L183 S238 I239 T333 S337 | Y181-D236 WeakPolarHBondContact OH-CB 3.38Å; L183-D236 HydrophobicContact CD1-CB 3.6Å; D236-S238 PolarHBondContact O-N 3.09Å; D236-I239 PolarHBondContact O-N 3.1Å; D236-T333 HydrophobicContact CB-CG2 4.49Å; D236-T333 WeakPolarHBondContact OD1-CB 3.49Å; D236-T333 VanDerWaalsContact OD1-CG2 3.26Å; D236-T333 WeakPolarHBondContact OD1-CG2 3.39Å; D236-T333 PolarHBondContact OD1-OG1 2.83Å; D236-T333 VanDerWaalsContact OD2-CA 3.3Å; D236-T333 WeakPolarHBondContact OD2-CA 3.42Å; D236-T333 PolarHBondContact OD2-OG1 3.37Å; D236-S337 WeakPolarHBondContact OD2-CA 3.3Å; D236-S337 PolarHBondContact OD2-N 3.3Å |
| 237 | P | 94.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 3.5 Ų | 3.5 | 2% | 0.019 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -49.1 | -27.4 | 167.4 | -35.4 | 41 | 0 | 0 | 0 | 116.3 | F235 I239 Q241 Q279 S337 W338 | F235-P237 VanDerWaalsContact C-N 3.34Å; F235-P237 HydrophobicContact CD1-CB 4.47Å; F235-P237 HydrophobicContact CD1-CG 4.09Å; F235-P237 HydrophobicContact CD2-CG 4.18Å; F235-P237 HydrophobicContact CE1-CB 4.37Å; F235-P237 HydrophobicContact CE1-CG 3.75Å; F235-P237 HydrophobicContact CE2-CG 3.81Å; F235-P237 HydrophobicContact CG-CG 4.28Å; F235-P237 HydrophobicContact CZ-CG 3.58Å; F235-P237 VanDerWaalsContact O-N 3.13Å; P237-I239 VanDerWaalsContact C-N 3.34Å; P237-Q241 WeakPolarHBondContact O-CG 3.42Å; P237-Q241 PolarHBondContact O-N 3.41Å; P237-Q279 PolarHBondContact O-NE2 3.48Å; P237-S337 WeakPolarHBondContact CA-OG 3.39Å; P237-S337 WeakPolarHBondContact CD-OG 3.48Å; P237-S337 WeakPolarHBondContact CG-OG 3.3Å; P237-W338 HydrophobicContact CB-CH2 4.49Å; P237-W338 HydrophobicContact CB-CZ2 3.79Å; P237-W338 HydrophobicContact CG-CH2 3.85Å; P237-W338 HydrophobicContact CG-CZ2 3.53Å |
| 238 | S | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -65.3 | -34.5 | 175.2 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | L229 S231 P232 L233 F235 D236 Q241 I242 | L229-S238 WeakPolarHBondContact CD1-O 3.34Å; S231-S238 WeakPolarHBondContact O-CB 3.06Å; P232-S238 PolarHBondContact O-OG 3.01Å; L233-S238 WeakPolarHBondContact CA-OG 3.44Å; F235-S238 VanDerWaalsContact O-CB 3.3Å; F235-S238 WeakPolarHBondContact O-CB 3.46Å; F235-S238 PolarHBondContact O-N 2.98Å; F235-S238 PolarHBondContact O-OG 3.06Å; D236-S238 PolarHBondContact O-N 3.09Å; S238-Q241 WeakPolarHBondContact O-CB 3.48Å; S238-Q241 PolarHBondContact O-N 2.86Å; S238-I242 WeakPolarHBondContact O-CG1 3.16Å; S238-I242 PolarHBondContact O-N 2.84Å |
| 239 | I | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -76.4 | -37.8 | -177.5 | -41.1 | 164.2 | 0 | 0 | 0 | 109.3 | F95 Y181 L203 D236 P237 Q241 I242 Y243 | F95-I239 HydrophobicContact CE2-CD1 3.92Å; F95-I239 HydrophobicContact CE2-CG1 4.34Å; F95-I239 HydrophobicContact CZ-CD1 3.8Å; F95-I239 HydrophobicContact CZ-CG1 4.18Å; F95-I239 HydrophobicContact CZ-CG2 3.97Å; Y181-I239 HydrophobicContact CD1-CD1 3.45Å; Y181-I239 VanDerWaalsContact CD1-CD1 3.45Å; Y181-I239 HydrophobicContact CD2-CD1 4.39Å; Y181-I239 HydrophobicContact CE1-CD1 3.51Å; Y181-I239 HydrophobicContact CE2-CD1 4.44Å; Y181-I239 HydrophobicContact CG-CD1 3.92Å; L203-I239 HydrophobicContact CD1-CB 4.42Å; L203-I239 HydrophobicContact CD2-CB 4.01Å; L203-I239 HydrophobicContact CD2-CG2 3.42Å; L203-I239 VanDerWaalsContact CD2-CG2 3.42Å; D236-I239 PolarHBondContact O-N 3.1Å; P237-I239 VanDerWaalsContact C-N 3.34Å; I239-Q241 VanDerWaalsContact C-N 3.33Å; I239-Q241 PolarHBondContact O-N 2.97Å; I239-I242 PolarHBondContact O-N 2.93Å; I239-Y243 HydrophobicContact CG2-CD2 4.14Å; I239-Y243 HydrophobicContact CG2-CE2 4.33Å; I239-Y243 PolarHBondContact O-N 2.96Å; I239-Y243 VanDerWaalsContact O-N 3.09Å |
| 240 | V | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -59.7 | -42.2 | 168.3 | -178.6 | 0 | 0 | 0 | 0 | 111 | L203 N206 L210 F244 | L203-V240 HydrophobicContact CD1-CG2 3.63Å; N206-V240 HydrophobicContact CB-CG2 4.34Å; L210-V240 HydrophobicContact CD1-CG1 3.41Å; L210-V240 VanDerWaalsContact CD1-CG1 3.41Å; V240-F244 WeakPolarHBondContact O-CB 3.3Å; V240-F244 PolarHBondContact O-N 3.44Å |
| 241 | Q | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -60.7 | -46.7 | 175.5 | -80.3 | 155.1 | 3.3 | 0 | 0 | 112.6 | V227 L229 A230 P237 S238 I239 A245 W277 Q279 | V227-Q241 HydrophobicContact CG1-CB 4.49Å; L229-Q241 HydrophobicContact CD1-CB 3.84Å; A230-Q241 VanDerWaalsContact N-OE1 3.15Å; P237-Q241 WeakPolarHBondContact O-CG 3.42Å; P237-Q241 PolarHBondContact O-N 3.41Å; S238-Q241 WeakPolarHBondContact O-CB 3.48Å; S238-Q241 PolarHBondContact O-N 2.86Å; I239-Q241 VanDerWaalsContact C-N 3.33Å; I239-Q241 PolarHBondContact O-N 2.97Å; Q241-A245 WeakPolarHBondContact O-CB 3.29Å; Q241-A245 PolarHBondContact O-N 3.01Å; Q241-A245 VanDerWaalsContact O-N 3.14Å; Q241-W277 HydrophobicContact CG-CZ3 3.99Å; Q241-Q279 HydrophobicContact CG-CB 4.5Å; Q241-Q279 VanDerWaalsContact NE2-NE2 3.14Å; Q241-Q279 PolarHBondContact NE2-O 2.88Å |
| 242 | I | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58.8 | -54.6 | 178.5 | -68.5 | 161.7 | 0 | 0 | 0 | 110.7 | T81 N82 I85 L229 L233 S238 I239 A245 L246 L252 | T81-I242 HydrophobicContact CG2-CD1 4.06Å; N82-I242 HydrophobicContact CB-CG2 3.94Å; I85-I242 HydrophobicContact CB-CD1 4.45Å; I85-I242 HydrophobicContact CG1-CD1 4.29Å; I85-I242 HydrophobicContact CG2-CD1 4.41Å; L229-I242 HydrophobicContact CD1-CD1 4.39Å; L229-I242 HydrophobicContact CD1-CG1 3.91Å; L233-I242 HydrophobicContact CD1-CD1 4.19Å; S238-I242 WeakPolarHBondContact O-CG1 3.16Å; S238-I242 PolarHBondContact O-N 2.84Å; I239-I242 PolarHBondContact O-N 2.93Å; I242-A245 WeakPolarHBondContact O-CB 3.37Å; I242-A245 PolarHBondContact O-N 3.37Å; I242-L246 HydrophobicContact CG2-CD1 4Å; I242-L246 WeakPolarHBondContact O-CG 3.04Å; I242-L246 PolarHBondContact O-N 2.91Å; I242-L246 VanDerWaalsContact O-N 3.1Å; I242-L252 HydrophobicContact CB-CD2 4.41Å; I242-L252 HydrophobicContact CG1-CD2 3.8Å |
| 243 | Y | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -76.5 | -27.5 | -174.6 | -81 | -83.3 | 0 | 0 | 0 | 113.7 | L9 C12 I85 H86 V89 I239 A245 L246 L247 | L9-Y243 HydrophobicContact CD1-CD1 3.96Å; L9-Y243 HydrophobicContact CD1-CD2 3.78Å; L9-Y243 HydrophobicContact CD1-CE1 4.28Å; L9-Y243 HydrophobicContact CD1-CE2 4.13Å; L9-Y243 HydrophobicContact CD1-CG 3.68Å; L9-Y243 HydrophobicContact CD2-CD2 4.05Å; L9-Y243 HydrophobicContact CD2-CE2 3.64Å; L9-Y243 HydrophobicContact CG-CD1 4.05Å; L9-Y243 HydrophobicContact CG-CD2 3.92Å; L9-Y243 HydrophobicContact CG-CE1 3.85Å; L9-Y243 HydrophobicContact CG-CE2 3.71Å; L9-Y243 HydrophobicContact CG-CG 4.07Å; L9-Y243 WeakPolarHBondContact O-CD1 3.38Å; L9-Y243 WeakPolarHBondContact O-CE1 3.11Å; C12-Y243 HydrophobicContact CB-CD1 3.98Å; I85-Y243 HydrophobicContact CG2-CE2 3.9Å; H86-Y243 AromaticContact ND1-CE1 3.76Å; H86-Y243 AromaticContact ND1-CZ 3.97Å; H86-Y243 PolarHBondContact ND1-OH 2.83Å; V89-Y243 VanDerWaalsContact CB-OH 3.3Å; V89-Y243 WeakPolarHBondContact CB-OH 3.38Å; V89-Y243 VanDerWaalsContact CG1-OH 3.27Å; V89-Y243 WeakPolarHBondContact CG1-OH 3.27Å; I239-Y243 HydrophobicContact CG2-CD2 4.14Å; I239-Y243 HydrophobicContact CG2-CE2 4.33Å; I239-Y243 PolarHBondContact O-N 2.96Å; I239-Y243 VanDerWaalsContact O-N 3.09Å; Y243-A245 VanDerWaalsContact C-N 3.32Å; Y243-A245 PolarHBondContact O-N 3.32Å; Y243-L246 HydrophobicContact CD1-CD1 4.22Å; Y243-L246 HydrophobicContact CE1-CD1 4.27Å; Y243-L247 WeakPolarHBondContact O-CB 3.4Å; Y243-L247 PolarHBondContact O-N 3.43Å |
| 244 | F | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -62.5 | -39.9 | 168.9 | -179.4 | -97.4 | 0 | 0 | 0 | 111.5 | L210 F214 V227 V240 T248 W277 | L210-F244 HydrophobicContact CB-CD2 3.9Å; L210-F244 HydrophobicContact CB-CE2 4.13Å; F214-F244 HydrophobicContact CB-CE2 3.87Å; F214-F244 HydrophobicContact CB-CZ 3.71Å; F214-F244 HydrophobicContact CD2-CE2 4.06Å; F214-F244 HydrophobicContact CD2-CZ 4.27Å; F214-F244 HydrophobicContact CG-CE2 4.35Å; F214-F244 HydrophobicContact CG-CZ 4.23Å; V227-F244 HydrophobicContact CG1-CD1 4.44Å; V227-F244 HydrophobicContact CG2-CD1 3.78Å; V227-F244 HydrophobicContact CG2-CE1 3.94Å; V240-F244 WeakPolarHBondContact O-CB 3.3Å; V240-F244 PolarHBondContact O-N 3.44Å; F244-T248 HydrophobicContact CD2-CG2 4Å; F244-T248 HydrophobicContact CE1-CG2 4.2Å; F244-T248 HydrophobicContact CE2-CG2 3.63Å; F244-T248 HydrophobicContact CG-CG2 4.44Å; F244-T248 HydrophobicContact CZ-CG2 3.74Å; F244-T248 WeakPolarHBondContact O-CB 3.5Å; F244-T248 WeakPolarHBondContact O-CG2 3.41Å; F244-T248 PolarHBondContact O-N 3.28Å; F244-T248 PolarHBondContact O-OG1 2.98Å; F244-W277 AromaticContact CD1-CD2 3.74Å; F244-W277 HydrophobicContact CD1-CD2 3.74Å; F244-W277 AromaticContact CD1-CE2 3.85Å; F244-W277 AromaticContact CD1-CE3 3.9Å; F244-W277 HydrophobicContact CD1-CE3 3.9Å; F244-W277 HydrophobicContact CD1-CG 4.19Å; F244-W277 HydrophobicContact CD1-CH2 4.21Å; F244-W277 HydrophobicContact CD1-CZ2 4.1Å; F244-W277 HydrophobicContact CD1-CZ3 4.12Å; F244-W277 HydrophobicContact CD2-CZ2 4.37Å; F244-W277 HydrophobicContact CE1-CB 4Å; F244-W277 AromaticContact CE1-CD1 3.53Å; F244-W277 AromaticContact CE1-CD2 3.44Å; F244-W277 HydrophobicContact CE1-CD2 3.44Å; F244-W277 VanDerWaalsContact CE1-CD2 3.44Å; F244-W277 AromaticContact CE1-CE2 3.53Å; F244-W277 HydrophobicContact CE1-CE3 4.06Å; F244-W277 AromaticContact CE1-CG 3.42Å; F244-W277 HydrophobicContact CE1-CG 3.42Å; F244-W277 VanDerWaalsContact CE1-CG 3.42Å; F244-W277 HydrophobicContact CE1-CZ2 4.2Å; F244-W277 AromaticContact CE1-NE1 3.59Å; F244-W277 HydrophobicContact CE2-CZ2 4.44Å; F244-W277 HydrophobicContact CG-CH2 4.3Å; F244-W277 HydrophobicContact CG-CZ2 4.2Å; F244-W277 AromaticContact CZ-CD1 3.57Å; F244-W277 HydrophobicContact CZ-CD2 4.09Å; F244-W277 AromaticContact CZ-CE2 3.74Å; F244-W277 AromaticContact CZ-CG 3.97Å; F244-W277 HydrophobicContact CZ-CG 3.97Å; F244-W277 HydrophobicContact CZ-CZ2 4.36Å; F244-W277 AromaticContact CZ-NE1 3.41Å |
| 245 | A | 95.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.008 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -64 | -50.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | V227 Q241 I242 Y243 L247 T248 R249 R250 L252 | V227-A245 HydrophobicContact CB-CB 3.96Å; V227-A245 HydrophobicContact CG1-CB 4.1Å; V227-A245 HydrophobicContact CG2-CB 4.16Å; Q241-A245 WeakPolarHBondContact O-CB 3.29Å; Q241-A245 PolarHBondContact O-N 3.01Å; Q241-A245 VanDerWaalsContact O-N 3.14Å; I242-A245 WeakPolarHBondContact O-CB 3.37Å; I242-A245 PolarHBondContact O-N 3.37Å; Y243-A245 VanDerWaalsContact C-N 3.32Å; Y243-A245 PolarHBondContact O-N 3.32Å; A245-L247 VanDerWaalsContact C-N 3.34Å; A245-L247 PolarHBondContact O-N 2.91Å; A245-T248 PolarHBondContact O-N 3Å; A245-R249 PolarHBondContact O-N 3.39Å; A245-R250 WeakPolarHBondContact CB-O 3.3Å; A245-R250 PolarHBondContact O-N 3.33Å; A245-L252 HydrophobicContact CB-CB 4.05Å; A245-L252 HydrophobicContact CB-CD1 4.03Å |
| 246 | L | 95.4 | Very high | 94.7 | Very high | 4 Ų | 4 | 9.5 Ų | 9.5 | 2% | 0.021 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -61 | -37.4 | 177.6 | -69.2 | 173.6 | 0 | 0 | 0 | 113.4 | V13 S14 W17 C23 F44 I242 Y243 | V13-L246 HydrophobicContact CG1-CB 4.45Å; V13-L246 HydrophobicContact CG2-CB 4.21Å; V13-L246 HydrophobicContact CG2-CD1 4.29Å; S14-L246 PolarHBondContact N-O 3.26Å; W17-L246 PolarHBondContact NE1-O 2.86Å; C23-L246 VanDerWaalsContact SG-CD2 3.58Å; F44-L246 HydrophobicContact CD1-CD2 4.27Å; F44-L246 HydrophobicContact CE1-CD2 3.67Å; F44-L246 HydrophobicContact CE2-CD1 4.23Å; F44-L246 HydrophobicContact CE2-CD2 3.94Å; F44-L246 HydrophobicContact CZ-CD1 3.79Å; F44-L246 HydrophobicContact CZ-CD2 3.48Å; F44-L246 VanDerWaalsContact CZ-CD2 3.48Å; F44-L246 HydrophobicContact CZ-CG 4.31Å; I242-L246 HydrophobicContact CG2-CD1 4Å; I242-L246 WeakPolarHBondContact O-CG 3.04Å; I242-L246 PolarHBondContact O-N 2.91Å; I242-L246 VanDerWaalsContact O-N 3.1Å; Y243-L246 HydrophobicContact CD1-CD1 4.22Å; Y243-L246 HydrophobicContact CE1-CD1 4.27Å |
| 247 | L | 93.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 11 Ų | 11 | 2% | 0.016 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -73.3 | -42.5 | 177.4 | -179.4 | 53.8 | 0 | 0 | 0 | 111.5 | M1 L3 C12 S14 V207 I208 Y243 A245 | M1-L247 HydrophobicContact CE-CD1 3.86Å; M1-L247 HydrophobicContact CE-CG 3.65Å; M1-L247 WeakPolarHBondContact CE-O 3.35Å; M1-L247 HydrophobicContact SD-CD1 3.8Å; M1-L247 HydrophobicContact SD-CD2 4.17Å; M1-L247 HydrophobicContact SD-CG 3.77Å; L3-L247 HydrophobicContact CD1-CD1 3.57Å; C12-L247 PolarHBondContact O-N 3.3Å; S14-L247 WeakPolarHBondContact CB-O 3.45Å; V207-L247 HydrophobicContact CG1-CD2 3.72Å; I208-L247 HydrophobicContact CD1-CD2 4.13Å; Y243-L247 WeakPolarHBondContact O-CB 3.4Å; Y243-L247 PolarHBondContact O-N 3.43Å; A245-L247 VanDerWaalsContact C-N 3.34Å; A245-L247 PolarHBondContact O-N 2.91Å |
| 248 | T | 91 | Very high | 93.7 | Very high | 22 Ų | 22 | 15 Ų | 15 | 14% | 0.135 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -89.6 | 7.1 | -172.5 | 60.6 | 0 | 0 | 0 | 0 | 116.1 | M1 F244 A245 R250 | M1-T248 HydrophobicContact CE-CG2 3.95Å; F244-T248 HydrophobicContact CD2-CG2 4Å; F244-T248 HydrophobicContact CE1-CG2 4.2Å; F244-T248 HydrophobicContact CE2-CG2 3.63Å; F244-T248 HydrophobicContact CG-CG2 4.44Å; F244-T248 HydrophobicContact CZ-CG2 3.74Å; F244-T248 WeakPolarHBondContact O-CB 3.5Å; F244-T248 WeakPolarHBondContact O-CG2 3.41Å; F244-T248 PolarHBondContact O-N 3.28Å; F244-T248 PolarHBondContact O-OG1 2.98Å; A245-T248 PolarHBondContact O-N 3Å; T248-R250 VanDerWaalsContact C-N 3.32Å; T248-R250 VanDerWaalsContact OG1-CD 3.3Å; T248-R250 WeakPolarHBondContact OG1-CD 3.16Å; T248-R250 WeakPolarHBondContact OG1-CG 3.03Å |
| 249 | R | 91.8 | Very high | 93.3 | Very high | 84 Ų | 84 | 15.6 Ų | 15.6 | 32% | 0.317 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 47.5 | -170.5 | -75.4 | 178.3 | 64.2 | -176.1 | -8.4 | 112.1 | N16 W17 E21 A245 | N16-R249 VanDerWaalsContact O-CD 3.31Å; N16-R249 WeakPolarHBondContact O-CD 3.08Å; N16-R249 PolarHBondContact O-NE 3.09Å; N16-R249 PolarHBondContact O-NH1 2.85Å; W17-R249 HydrophobicContact CD2-CB 4.43Å; W17-R249 HydrophobicContact CD2-CG 3.8Å; W17-R249 HydrophobicContact CE3-CG 4.26Å; W17-R249 HydrophobicContact CG-CG 3.95Å; E21-R249 IonicContact OE1-CZ 2.72Å; E21-R249 IonicContact OE1-NE 3.09Å; E21-R249 IonicContact OE1-NH2 3.36Å; E21-R249 PolarHBondContact OE1-NH2 2.83Å; E21-R249 IonicContact OE2-CZ 3.51Å; E21-R249 IonicContact OE2-NE 3.52Å; E21-R249 PolarHBondContact OE2-NE 3.32Å; E21-R249 IonicContact OE2-NH2 2.7Å; E21-R249 PolarHBondContact OE2-NH2 3.23Å; E21-R249 VanDerWaalsContact OE2-NH2 3.09Å; A245-R249 PolarHBondContact O-N 3.39Å |
| 250 | R | 92.3 | Very high | 92.9 | Very high | 18 Ų | 18 | 16 Ų | 16 | 7% | 0.068 | 9% | 0.091 | C | C | . | . | trans | -116.1 | 140.6 | 178.1 | -71.6 | -176.5 | -173.1 | -89 | -1.4 | 110.6 | V224 N225 V227 A245 T248 L252 | V224-R250 PolarHBondContact O-NH1 2.7Å; N225-R250 CarbonylContact O-C 3.45Å; N225-R250 VanDerWaalsContact O-CA 3.27Å; N225-R250 WeakPolarHBondContact O-CA 3.34Å; N225-R250 WeakPolarHBondContact O-CB 3.35Å; N225-R250 WeakPolarHBondContact O-CG 3.46Å; V227-R250 HydrophobicContact CB-CB 4.49Å; V227-R250 HydrophobicContact CG2-CB 3.59Å; V227-R250 HydrophobicContact CG2-CG 4.23Å; A245-R250 WeakPolarHBondContact CB-O 3.3Å; A245-R250 PolarHBondContact O-N 3.33Å; T248-R250 VanDerWaalsContact C-N 3.32Å; T248-R250 VanDerWaalsContact OG1-CD 3.3Å; T248-R250 WeakPolarHBondContact OG1-CD 3.16Å; T248-R250 WeakPolarHBondContact OG1-CG 3.03Å; R250-L252 PolarHBondContact O-N 2.95Å | ||
| 251 | T | 95.5 | Very high | 92.3 | Very high | 22 Ų | 22 | 17.6 Ų | 17.6 | 14% | 0.135 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 122.7 | 179.4 | -55.1 | 0 | 0 | 0 | 0 | 110.2 | N22 E25 N225 G226 V227 V253 | N22-T251 HydrophobicContact CB-CG2 3.8Å; N22-T251 WeakPolarHBondContact O-CA 3.27Å; N22-T251 VanDerWaalsContact O-CB 3.29Å; N22-T251 WeakPolarHBondContact O-CB 3.49Å; N22-T251 WeakPolarHBondContact O-CG2 3.44Å; N22-T251 PolarHBondContact O-OG1 2.84Å; E25-T251 HydrophobicContact CB-CG2 4.21Å; E25-T251 HydrophobicContact CG-CG2 3.73Å; N225-T251 PolarHBondContact O-N 3.1Å; G226-T251 WeakPolarHBondContact CA-O 3.26Å; V227-T251 PolarHBondContact N-O 3.02Å; T251-V253 PolarHBondContact O-N 3.02Å |
| 252 | L | 97.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 109.3 | 175.6 | -173.3 | 69.5 | 0 | 0 | 0 | 110.6 | C23 A24 E25 N82 V227 L229 I242 A245 R250 I254 | C23-L252 PolarHBondContact O-N 2.84Å; A24-L252 CarbonylContact C-O 3.4Å; A24-L252 VanDerWaalsContact CA-O 3.27Å; A24-L252 WeakPolarHBondContact CA-O 3.3Å; A24-L252 HydrophobicContact CB-CB 4.2Å; E25-L252 PolarHBondContact N-O 3.12Å; N82-L252 HydrophobicContact CB-CD2 4.03Å; V227-L252 HydrophobicContact CG1-CD1 4.1Å; L229-L252 HydrophobicContact CB-CD1 4.11Å; L229-L252 HydrophobicContact CB-CG 4.46Å; L229-L252 HydrophobicContact CD1-CD1 4.37Å; I242-L252 HydrophobicContact CB-CD2 4.41Å; I242-L252 HydrophobicContact CG1-CD2 3.8Å; A245-L252 HydrophobicContact CB-CB 4.05Å; A245-L252 HydrophobicContact CB-CD1 4.03Å; R250-L252 PolarHBondContact O-N 2.95Å; L252-I254 HydrophobicContact CD2-CD1 4.09Å; L252-I254 HydrophobicContact CD2-CG1 4.22Å; L252-I254 HydrophobicContact CG-CD1 4.48Å; L252-I254 HydrophobicContact CG-CG1 4.11Å |
| 253 | V | 97.5 | Very high | 91 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 120 | 177.6 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | W27 V227 L228 L229 T251 L269 A273 V275 | W27-V253 HydrophobicContact CG-CG1 4.44Å; V227-V253 PolarHBondContact O-N 2.65Å; L228-V253 HydrophobicContact CD1-CB 3.94Å; L228-V253 HydrophobicContact CD1-CG1 3.71Å; L229-V253 WeakPolarHBondContact CB-O 3.3Å; L229-V253 PolarHBondContact N-O 3.26Å; T251-V253 PolarHBondContact O-N 3.02Å; V253-L269 HydrophobicContact CG1-CD1 4.25Å; V253-L269 HydrophobicContact CG1-CD2 4.37Å; V253-L269 HydrophobicContact CG1-CG 4.42Å; V253-A273 HydrophobicContact CG1-CB 3.86Å; V253-A273 HydrophobicContact CG2-CB 3.97Å; V253-V275 HydrophobicContact CG2-CG2 4.19Å |
| 254 | I | 97.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 137.9 | -177.7 | -53.2 | 178.1 | 0 | 0 | 0 | 108.6 | E25 F26 W27 P77 H78 L229 L252 | E25-I254 PolarHBondContact O-N 3.28Å; F26-I254 CarbonylContact C-O 3.56Å; F26-I254 WeakPolarHBondContact CA-O 3.41Å; F26-I254 HydrophobicContact CD2-CB 4.11Å; F26-I254 HydrophobicContact CD2-CG2 3.83Å; F26-I254 HydrophobicContact CE2-CG2 4.35Å; W27-I254 PolarHBondContact N-O 2.96Å; P77-I254 HydrophobicContact CB-CG2 4.06Å; H78-I254 WeakPolarHBondContact O-CD1 3.34Å; L229-I254 HydrophobicContact CB-CG1 4.28Å; L229-I254 HydrophobicContact CD2-CD1 4.28Å; L229-I254 HydrophobicContact CD2-CG1 3.95Å; L229-I254 HydrophobicContact CD2-CG2 4.17Å; L252-I254 HydrophobicContact CD2-CD1 4.09Å; L252-I254 HydrophobicContact CD2-CG1 4.22Å; L252-I254 HydrophobicContact CG-CD1 4.48Å; L252-I254 HydrophobicContact CG-CG1 4.11Å |
| 255 | C | 93.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | trans | -154.7 | 160.9 | 175.1 | 69.4 | 0 | 0 | 0 | 0 | 113.2 | W27 I259 L260 L269 | W27-C255 HydrophobicContact CB-CB 4.28Å; W27-C255 WeakPolarHBondContact O-CA 3.46Å; W27-C255 VanDerWaalsContact O-CB 3.26Å; W27-C255 WeakPolarHBondContact O-CB 3.45Å; C255-I259 HydrophobicContact CB-CD1 4.25Å; C255-L260 WeakPolarHBondContact SG-CD2 3.49Å; C255-L260 VanDerWaalsContact SG-CG 3.56Å; C255-L269 HydrophobicContact CB-CD2 3.88Å; C255-L269 WeakPolarHBondContact SG-CD2 3.44Å | ||
| 256 | P | 88.9 | Confident | 90 | Very high | 34 Ų | 34 | 30.5 Ų | 30.5 | 22% | 0.221 | 17% | 0.167 | C | C | . | . | trans | -54.7 | 146.2 | 173 | -30 | 37.3 | 0 | 0 | 0 | 115.3 | F26 W27 S258 I259 L260 | F26-P256 HydrophobicContact CZ-CG 4.25Å; W27-P256 WeakPolarHBondContact O-CD 3.43Å; P256-S258 WeakPolarHBondContact CB-OG 3.33Å; P256-S258 PolarHBondContact O-N 2.56Å; P256-S258 VanDerWaalsContact O-N 3.1Å; P256-I259 WeakPolarHBondContact O-CB 3.41Å; P256-I259 PolarHBondContact O-N 2.99Å; P256-L260 PolarHBondContact O-N 3.08Å | ||
| 257 | S | 83.1 | Confident | 89.9 | Confident | 33 Ų | 33 | 32.1 Ų | 32.1 | 23% | 0.231 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.3 | -19.9 | 179.6 | -50 | 0 | 0 | 0 | 0 | 114.4 | I259 N261 | S257-I259 PolarHBondContact O-N 3.32Å; S257-N261 WeakPolarHBondContact O-CB 3.34Å; S257-N261 PolarHBondContact O-N 3.14Å |
| 258 | S | 81.4 | Confident | 89.7 | Confident | 89 Ų | 89 | 34.2 Ų | 34.2 | 62% | 0.622 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -63.7 | -23.6 | 170.8 | 48.5 | 0 | 0 | 0 | 0 | 113.3 | P256 V262 | P256-S258 WeakPolarHBondContact CB-OG 3.33Å; P256-S258 PolarHBondContact O-N 2.56Å; P256-S258 VanDerWaalsContact O-N 3.1Å; S258-V262 WeakPolarHBondContact O-CG2 3.29Å |
| 259 | I | 88.3 | Confident | 89.8 | Confident | 12 Ų | 12 | 33.2 Ų | 33.2 | 6% | 0.062 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -90.9 | -47.7 | 176.8 | -62.6 | 174.9 | 0 | 0 | 0 | 110.3 | G29 T30 C255 P256 S257 V262 T265 L266 L269 | G29-I259 WeakPolarHBondContact O-CD1 3.3Å; T30-I259 HydrophobicContact CG2-CD1 4.49Å; T30-I259 HydrophobicContact CG2-CG2 3.86Å; C255-I259 HydrophobicContact CB-CD1 4.25Å; P256-I259 WeakPolarHBondContact O-CB 3.41Å; P256-I259 PolarHBondContact O-N 2.99Å; S257-I259 PolarHBondContact O-N 3.32Å; I259-V262 PolarHBondContact O-N 3.35Å; I259-T265 PolarHBondContact O-OG1 2.86Å; I259-L266 PolarHBondContact O-N 3.27Å; I259-L269 HydrophobicContact CG2-CB 4.26Å; I259-L269 HydrophobicContact CG2-CD2 3.96Å |
| 260 | L | 86.6 | Confident | 89.8 | Confident | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.1 | -47 | -178.9 | -66.5 | 177.6 | 0 | 0 | 0 | 113 | L228 A230 C255 P256 V262 L266 | L228-L260 HydrophobicContact CD1-CD2 4.3Å; L228-L260 HydrophobicContact CD2-CD2 3.83Å; L228-L260 HydrophobicContact CG-CD2 4.19Å; A230-L260 HydrophobicContact CB-CD2 4.43Å; C255-L260 WeakPolarHBondContact SG-CD2 3.49Å; C255-L260 VanDerWaalsContact SG-CG 3.56Å; P256-L260 PolarHBondContact O-N 3.08Å; L260-V262 VanDerWaalsContact C-N 3.26Å; L260-V262 PolarHBondContact O-N 2.92Å; L260-L266 HydrophobicContact CD2-CD1 4.28Å |
| 261 | N | 82.3 | Confident | 89.7 | Confident | 34 Ų | 34 | 30.8 Ų | 30.8 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 12.1 | -172.6 | -64.2 | -28.6 | 0 | 0 | 0 | 113.2 | S257 Q284 I559 | S257-N261 WeakPolarHBondContact O-CB 3.34Å; S257-N261 PolarHBondContact O-N 3.14Å; N261-Q284 PolarHBondContact OD1-NE2 3.21Å; N261-I559 HydrophobicContact CB-CG2 4.43Å |
| 262 | V | 83.7 | Confident | 89.5 | Confident | 71 Ų | 71 | 33.3 Ų | 33.3 | 43% | 0.43 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -115.5 | 104.5 | 169.4 | 170.9 | 0 | 0 | 0 | 0 | 107.9 | S258 I259 L260 K264 T265 L266 | S258-V262 WeakPolarHBondContact O-CG2 3.29Å; I259-V262 PolarHBondContact O-N 3.35Å; L260-V262 VanDerWaalsContact C-N 3.26Å; L260-V262 PolarHBondContact O-N 2.92Å; V262-K264 PolarHBondContact O-N 2.89Å; V262-T265 VanDerWaalsContact CB-OG1 3.25Å; V262-T265 WeakPolarHBondContact CB-OG1 3.43Å; V262-T265 HydrophobicContact CG1-CG2 4.31Å; V262-T265 WeakPolarHBondContact CG1-OG1 3.45Å; V262-T265 PolarHBondContact O-N 3.01Å; V262-T265 PolarHBondContact O-OG1 3.41Å; V262-L266 PolarHBondContact O-N 3.36Å; V262-L266 VanDerWaalsContact O-N 3.07Å |
| 263 | P | 83.7 | Confident | 89.2 | Confident | 22 Ų | 22 | 33.6 Ų | 33.6 | 14% | 0.143 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56 | -32 | -166.2 | -27.4 | 30.9 | 0 | 0 | 0 | 115 | Y267 Q284 L288 | P263-Y267 WeakPolarHBondContact O-CB 3.48Å; P263-Y267 PolarHBondContact O-N 3.45Å; P263-Q284 WeakPolarHBondContact CB-O 3.27Å; P263-Q284 WeakPolarHBondContact CG-O 3.28Å; P263-L288 HydrophobicContact CB-CD2 4.01Å; P263-L288 HydrophobicContact CB-CG 3.99Å; P263-L288 VanDerWaalsContact O-CD2 3.28Å; P263-L288 WeakPolarHBondContact O-CD2 3.4Å |
| 264 | K | 86.8 | Confident | 88.9 | Confident | 136 Ų | 136 | 37.8 Ų | 37.8 | 59% | 0.591 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -69.6 | -38.6 | 177.2 | -70.8 | -174.1 | 178.2 | -179.1 | 0 | 113.5 | V262 T268 L292 | V262-K264 PolarHBondContact O-N 2.89Å; K264-T268 PolarHBondContact O-N 3.1Å; K264-T268 VanDerWaalsContact O-N 3.08Å; K264-T268 PolarHBondContact O-OG1 2.86Å; K264-T268 VanDerWaalsContact O-OG1 3.12Å; K264-L292 HydrophobicContact CG-CD1 4.22Å |
| 265 | T | 90 | Very high | 88.7 | Confident | 39 Ų | 39 | 37.9 Ų | 37.9 | 24% | 0.239 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -78.8 | -34.1 | 179.4 | 44.4 | 0 | 0 | 0 | 0 | 110.9 | T30 I259 V262 T268 L269 | T30-T265 HydrophobicContact CG2-CG2 4.11Å; I259-T265 PolarHBondContact O-OG1 2.86Å; V262-T265 VanDerWaalsContact CB-OG1 3.25Å; V262-T265 WeakPolarHBondContact CB-OG1 3.43Å; V262-T265 HydrophobicContact CG1-CG2 4.31Å; V262-T265 WeakPolarHBondContact CG1-OG1 3.45Å; V262-T265 PolarHBondContact O-N 3.01Å; V262-T265 PolarHBondContact O-OG1 3.41Å; T265-T268 PolarHBondContact O-N 3.48Å; T265-L269 WeakPolarHBondContact O-CB 3.5Å; T265-L269 PolarHBondContact O-N 2.77Å |
| 266 | L | 89.9 | Confident | 88.6 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.6 | -49.6 | 165.4 | 175 | 62.8 | 0 | 0 | 0 | 111.4 | L228 I259 L260 V262 L269 C270 Q284 I285 | L228-L266 HydrophobicContact CD2-CD1 3.37Å; I259-L266 PolarHBondContact O-N 3.27Å; L260-L266 HydrophobicContact CD2-CD1 4.28Å; V262-L266 PolarHBondContact O-N 3.36Å; V262-L266 VanDerWaalsContact O-N 3.07Å; L266-L269 PolarHBondContact O-N 3.44Å; L266-C270 WeakPolarHBondContact O-CB 3.44Å; L266-C270 PolarHBondContact O-N 3.28Å; L266-C270 PolarHBondContact O-SG 3.14Å; L266-Q284 HydrophobicContact CD2-CB 4.15Å; L266-I285 HydrophobicContact CD2-CG2 4.07Å |
| 267 | Y | 91.5 | Very high | 88.8 | Confident | 38 Ų | 38 | 36.1 Ų | 36.1 | 15% | 0.149 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.9 | -52.6 | 173.3 | 167.4 | -81.9 | 0 | 0 | 0 | 111.7 | P263 L269 C270 M271 L288 L292 K295 F296 | P263-Y267 WeakPolarHBondContact O-CB 3.48Å; P263-Y267 PolarHBondContact O-N 3.45Å; Y267-L269 PolarHBondContact O-N 3.13Å; Y267-C270 PolarHBondContact O-N 3.17Å; Y267-M271 HydrophobicContact CD1-CG 4.49Å; Y267-M271 HydrophobicContact CE1-CG 4.04Å; Y267-M271 HydrophobicContact CE2-CG 4.32Å; Y267-M271 HydrophobicContact CE2-SD 4.38Å; Y267-M271 WeakPolarHBondContact O-CG 3.46Å; Y267-M271 PolarHBondContact O-N 3.44Å; Y267-L288 HydrophobicContact CD2-CD1 4.5Å; Y267-L292 HydrophobicContact CE1-CD2 4.44Å; Y267-K295 HydrophobicContact CE2-CB 4.05Å; Y267-F296 HydrophobicContact CD2-CB 3.94Å; Y267-F296 AromaticContact CD2-CD2 3.58Å; Y267-F296 HydrophobicContact CD2-CD2 3.58Å; Y267-F296 HydrophobicContact CD2-CE2 4.44Å; Y267-F296 HydrophobicContact CD2-CG 4.13Å; Y267-F296 HydrophobicContact CE2-CB 4.19Å; Y267-F296 HydrophobicContact CE2-CD2 4.24Å; Y267-F296 HydrophobicContact CG-CD2 4.39Å |
| 268 | T | 91.6 | Very high | 89.4 | Confident | 48 Ų | 48 | 34.6 Ų | 34.6 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.4 | -43.2 | -176.8 | -58 | 0 | 0 | 0 | 0 | 111.8 | K264 T265 M271 N272 | K264-T268 PolarHBondContact O-N 3.1Å; K264-T268 VanDerWaalsContact O-N 3.08Å; K264-T268 PolarHBondContact O-OG1 2.86Å; K264-T268 VanDerWaalsContact O-OG1 3.12Å; T265-T268 PolarHBondContact O-N 3.48Å; T268-M271 PolarHBondContact O-N 3.01Å; T268-N272 WeakPolarHBondContact O-CB 3.27Å; T268-N272 PolarHBondContact O-N 3.3Å |
| 269 | L | 92.7 | Very high | 90 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.2 | -48.1 | 175.8 | 178.2 | 65.5 | 0 | 0 | 0 | 111.3 | W27 T30 L228 V253 C255 I259 T265 L266 Y267 M271 N272 A273 | W27-L269 HydrophobicContact CB-CD1 3.78Å; W27-L269 HydrophobicContact CD2-CD1 3.49Å; W27-L269 VanDerWaalsContact CD2-CD1 3.49Å; W27-L269 HydrophobicContact CE3-CD1 3.48Å; W27-L269 VanDerWaalsContact CE3-CD1 3.48Å; W27-L269 HydrophobicContact CG-CD1 3.63Å; W27-L269 HydrophobicContact CZ3-CD1 4.25Å; T30-L269 HydrophobicContact CG2-CB 4.45Å; L228-L269 HydrophobicContact CD1-CD2 3.76Å; V253-L269 HydrophobicContact CG1-CD1 4.25Å; V253-L269 HydrophobicContact CG1-CD2 4.37Å; V253-L269 HydrophobicContact CG1-CG 4.42Å; C255-L269 HydrophobicContact CB-CD2 3.88Å; C255-L269 WeakPolarHBondContact SG-CD2 3.44Å; I259-L269 HydrophobicContact CG2-CB 4.26Å; I259-L269 HydrophobicContact CG2-CD2 3.96Å; T265-L269 WeakPolarHBondContact O-CB 3.5Å; T265-L269 PolarHBondContact O-N 2.77Å; L266-L269 PolarHBondContact O-N 3.44Å; Y267-L269 PolarHBondContact O-N 3.13Å; L269-M271 VanDerWaalsContact C-N 3.27Å; L269-M271 PolarHBondContact O-N 2.8Å; L269-N272 PolarHBondContact O-N 2.77Å; L269-A273 HydrophobicContact CD1-CB 4.08Å; L269-A273 VanDerWaalsContact O-CB 3.27Å; L269-A273 WeakPolarHBondContact O-CB 3.33Å; L269-A273 PolarHBondContact O-N 2.88Å |
| 270 | C | 92.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.3 | -37.6 | -179.2 | -68.1 | 0 | 0 | 0 | 0 | 112.7 | L266 Y267 K274 V275 F296 | L266-C270 WeakPolarHBondContact O-CB 3.44Å; L266-C270 PolarHBondContact O-N 3.28Å; L266-C270 PolarHBondContact O-SG 3.14Å; Y267-C270 PolarHBondContact O-N 3.17Å; C270-K274 PolarHBondContact O-N 3.22Å; C270-V275 HydrophobicContact CB-CB 4.13Å; C270-V275 HydrophobicContact CB-CG2 4.39Å; C270-V275 PolarHBondContact O-N 2.9Å; C270-F296 HydrophobicContact CB-CE2 3.77Å; C270-F296 HydrophobicContact CB-CZ 4.41Å |
| 271 | M | 89.9 | Confident | 90.6 | Very high | 50 Ų | 50 | 29.9 Ų | 29.9 | 25% | 0.246 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.6 | -45 | 176.4 | -56.4 | -62.2 | 87.2 | 0 | 0 | 111.6 | Y267 T268 L269 K274 F296 Q299 | Y267-M271 HydrophobicContact CD1-CG 4.49Å; Y267-M271 HydrophobicContact CE1-CG 4.04Å; Y267-M271 HydrophobicContact CE2-CG 4.32Å; Y267-M271 HydrophobicContact CE2-SD 4.38Å; Y267-M271 WeakPolarHBondContact O-CG 3.46Å; Y267-M271 PolarHBondContact O-N 3.44Å; T268-M271 PolarHBondContact O-N 3.01Å; L269-M271 VanDerWaalsContact C-N 3.27Å; L269-M271 PolarHBondContact O-N 2.8Å; M271-K274 PolarHBondContact O-N 2.81Å; M271-F296 HydrophobicContact CE-CD2 4.07Å; M271-F296 HydrophobicContact CE-CE2 4.27Å; M271-Q299 HydrophobicContact CE-CG 4.04Å; M271-Q299 HydrophobicContact SD-CG 4.15Å |
| 272 | N | 91.3 | Very high | 91 | Very high | 75 Ų | 75 | 28.8 Ų | 28.8 | 40% | 0.401 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -77 | -31.3 | -173.7 | -70.5 | -5.1 | 0 | 0 | 0 | 113.3 | W27 T30 T268 L269 K274 | W27-N272 HydrophobicContact CH2-CB 3.96Å; W27-N272 WeakPolarHBondContact CH2-O 3.43Å; W27-N272 HydrophobicContact CZ3-CB 3.94Å; T30-N272 PolarHBondContact O-ND2 2.87Å; T268-N272 WeakPolarHBondContact O-CB 3.27Å; T268-N272 PolarHBondContact O-N 3.3Å; L269-N272 PolarHBondContact O-N 2.77Å; N272-K274 VanDerWaalsContact C-N 3.33Å |
| 273 | A | 91.7 | Very high | 91.2 | Very high | 9 Ų | 9 | 25.7 Ų | 25.7 | 7% | 0.074 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 13.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | W27 V253 L269 V275 | W27-A273 HydrophobicContact CD2-CB 4.3Å; W27-A273 HydrophobicContact CH2-CB 4.04Å; W27-A273 HydrophobicContact CZ2-CB 3.49Å; W27-A273 VanDerWaalsContact CZ2-CB 3.49Å; V253-A273 HydrophobicContact CG1-CB 3.86Å; V253-A273 HydrophobicContact CG2-CB 3.97Å; L269-A273 HydrophobicContact CD1-CB 4.08Å; L269-A273 VanDerWaalsContact O-CB 3.27Å; L269-A273 WeakPolarHBondContact O-CB 3.33Å; L269-A273 PolarHBondContact O-N 2.88Å; A273-V275 VanDerWaalsContact C-N 3.28Å; A273-V275 HydrophobicContact CB-CG2 4.25Å; A273-V275 PolarHBondContact O-N 3.02Å; A273-V275 VanDerWaalsContact O-N 3.16Å |
| 274 | K | 91.3 | Very high | 91.3 | Very high | 88 Ų | 88 | 24.7 Ų | 24.7 | 38% | 0.383 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.1 | 47.4 | 178.4 | -51.7 | -172 | -168.5 | -178.2 | 0 | 113.5 | E223 V224 N225 G226 C270 M271 N272 G276 | E223-K274 HydrophobicContact CB-CD 3.98Å; E223-K274 WeakPolarHBondContact O-CD 3.19Å; E223-K274 IonicContact OE1-NZ 3.58Å; E223-K274 PolarHBondContact OE1-NZ 3.47Å; E223-K274 IonicContact OE2-NZ 2.55Å; E223-K274 PolarHBondContact OE2-NZ 2.82Å; V224-K274 CarbonylContact C-O 3.59Å; V224-K274 WeakPolarHBondContact CG1-O 3.24Å; N225-K274 PolarHBondContact N-O 3.5Å; G226-K274 PolarHBondContact N-O 2.76Å; C270-K274 PolarHBondContact O-N 3.22Å; M271-K274 PolarHBondContact O-N 2.81Å; N272-K274 VanDerWaalsContact C-N 3.33Å; K274-G276 PolarHBondContact O-N 2.91Å |
| 275 | V | 92.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 2% | 0.018 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 113.2 | -177.7 | 177.1 | 0 | 0 | 0 | 0 | 109.9 | G226 L228 V253 C270 A273 W277 L278 F302 | G226-V275 CarbonylContact O-C 3.5Å; G226-V275 WeakPolarHBondContact O-CA 3.33Å; L228-V275 HydrophobicContact CB-CG1 3.93Å; L228-V275 HydrophobicContact CB-CG2 4.27Å; V253-V275 HydrophobicContact CG2-CG2 4.19Å; C270-V275 HydrophobicContact CB-CB 4.13Å; C270-V275 HydrophobicContact CB-CG2 4.39Å; C270-V275 PolarHBondContact O-N 2.9Å; A273-V275 VanDerWaalsContact C-N 3.28Å; A273-V275 HydrophobicContact CB-CG2 4.25Å; A273-V275 PolarHBondContact O-N 3.02Å; A273-V275 VanDerWaalsContact O-N 3.16Å; V275-W277 WeakPolarHBondContact CG1-O 3.27Å; V275-L278 HydrophobicContact CG1-CB 4.4Å; V275-F302 HydrophobicContact CG1-CE2 4.25Å; V275-F302 WeakPolarHBondContact O-CD2 3.31Å; V275-F302 WeakPolarHBondContact O-CE2 3.47Å |
| 276 | G | 91.2 | Very high | 91 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -17.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | V224 G226 K274 F302 H303 | V224-G276 VanDerWaalsContact CG1-CA 3.42Å; G226-G276 PolarHBondContact O-N 2.9Å; K274-G276 PolarHBondContact O-N 2.91Å; G276-F302 WeakPolarHBondContact O-CA 3.33Å; G276-H303 PolarHBondContact O-N 2.91Å |
| 277 | W | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 119.7 | 178.4 | -166.8 | 99.2 | 0 | 0 | 0 | 110.4 | L210 F214 G226 V227 L228 Q241 F244 V275 Q279 H303 L305 | L210-W277 HydrophobicContact CD1-CZ2 4.39Å; F214-W277 AromaticContact CD2-NE1 3.64Å; F214-W277 AromaticContact CE2-NE1 3.83Å; F214-W277 AromaticContact CG-NE1 3.87Å; G226-W277 PolarHBondContact O-N 2.9Å; V227-W277 HydrophobicContact CG1-CE3 3.98Å; V227-W277 HydrophobicContact CG1-CZ3 4.33Å; V227-W277 HydrophobicContact CG2-CB 4.13Å; L228-W277 PolarHBondContact N-O 3.25Å; Q241-W277 HydrophobicContact CG-CZ3 3.99Å; F244-W277 AromaticContact CD1-CD2 3.74Å; F244-W277 HydrophobicContact CD1-CD2 3.74Å; F244-W277 AromaticContact CD1-CE2 3.85Å; F244-W277 AromaticContact CD1-CE3 3.9Å; F244-W277 HydrophobicContact CD1-CE3 3.9Å; F244-W277 HydrophobicContact CD1-CG 4.19Å; F244-W277 HydrophobicContact CD1-CH2 4.21Å; F244-W277 HydrophobicContact CD1-CZ2 4.1Å; F244-W277 HydrophobicContact CD1-CZ3 4.12Å; F244-W277 HydrophobicContact CD2-CZ2 4.37Å; F244-W277 HydrophobicContact CE1-CB 4Å; F244-W277 AromaticContact CE1-CD1 3.53Å; F244-W277 AromaticContact CE1-CD2 3.44Å; F244-W277 HydrophobicContact CE1-CD2 3.44Å; F244-W277 VanDerWaalsContact CE1-CD2 3.44Å; F244-W277 AromaticContact CE1-CE2 3.53Å; F244-W277 HydrophobicContact CE1-CE3 4.06Å; F244-W277 AromaticContact CE1-CG 3.42Å; F244-W277 HydrophobicContact CE1-CG 3.42Å; F244-W277 VanDerWaalsContact CE1-CG 3.42Å; F244-W277 HydrophobicContact CE1-CZ2 4.2Å; F244-W277 AromaticContact CE1-NE1 3.59Å; F244-W277 HydrophobicContact CE2-CZ2 4.44Å; F244-W277 HydrophobicContact CG-CH2 4.3Å; F244-W277 HydrophobicContact CG-CZ2 4.2Å; F244-W277 AromaticContact CZ-CD1 3.57Å; F244-W277 HydrophobicContact CZ-CD2 4.09Å; F244-W277 AromaticContact CZ-CE2 3.74Å; F244-W277 AromaticContact CZ-CG 3.97Å; F244-W277 HydrophobicContact CZ-CG 3.97Å; F244-W277 HydrophobicContact CZ-CZ2 4.36Å; F244-W277 AromaticContact CZ-NE1 3.41Å; V275-W277 WeakPolarHBondContact CG1-O 3.27Å; W277-Q279 HydrophobicContact CE3-CB 4.14Å; W277-Q279 HydrophobicContact CH2-CB 3.56Å; W277-Q279 HydrophobicContact CH2-CG 4.21Å; W277-Q279 HydrophobicContact CZ2-CB 4.38Å; W277-Q279 HydrophobicContact CZ3-CB 3.41Å; W277-Q279 VanDerWaalsContact CZ3-CB 3.41Å; W277-Q279 HydrophobicContact CZ3-CG 4.44Å; W277-H303 HydrophobicContact CG-CB 4.41Å; W277-L305 HydrophobicContact CD2-CD1 4.13Å; W277-L305 HydrophobicContact CG-CD1 4.38Å; W277-L305 HydrophobicContact CZ2-CD1 3.97Å; W277-L305 HydrophobicContact CZ2-CD2 3.75Å; W277-L305 HydrophobicContact CZ2-CG 4.48Å |
| 278 | L | 94.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 111 | -178.5 | 174.4 | 61.4 | 0 | 0 | 0 | 110.1 | L228 A230 V275 C280 F296 F302 H303 V304 L305 | L228-L278 HydrophobicContact CB-CD1 4.06Å; L228-L278 HydrophobicContact CD2-CD1 3.76Å; L228-L278 HydrophobicContact CG-CD1 4.44Å; A230-L278 HydrophobicContact CB-CD1 3.95Å; V275-L278 HydrophobicContact CG1-CB 4.4Å; L278-C280 HydrophobicContact CD1-CB 3.92Å; L278-C280 HydrophobicContact CG-CB 4.18Å; L278-F296 HydrophobicContact CD2-CE1 3.88Å; L278-F296 HydrophobicContact CD2-CZ 3.53Å; L278-F302 HydrophobicContact CB-CE2 3.69Å; L278-F302 HydrophobicContact CB-CZ 3.9Å; L278-F302 HydrophobicContact CD2-CZ 3.9Å; L278-H303 PolarHBondContact N-O 2.9Å; L278-V304 CarbonylContact O-C 3.45Å; L278-V304 WeakPolarHBondContact O-CA 3.49Å; L278-L305 PolarHBondContact O-N 3Å |
| 279 | Q | 95.5 | Very high | 89.2 | Confident | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.009 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 113.1 | 167.9 | 177.4 | -164.7 | -95.8 | 0 | 0 | 108.7 | P237 Q241 W277 L305 W338 | P237-Q279 PolarHBondContact O-NE2 3.48Å; Q241-Q279 HydrophobicContact CG-CB 4.5Å; Q241-Q279 VanDerWaalsContact NE2-NE2 3.14Å; Q241-Q279 PolarHBondContact NE2-O 2.88Å; W277-Q279 HydrophobicContact CE3-CB 4.14Å; W277-Q279 HydrophobicContact CH2-CB 3.56Å; W277-Q279 HydrophobicContact CH2-CG 4.21Å; W277-Q279 HydrophobicContact CZ2-CB 4.38Å; W277-Q279 HydrophobicContact CZ3-CB 3.41Å; W277-Q279 VanDerWaalsContact CZ3-CB 3.41Å; W277-Q279 HydrophobicContact CZ3-CG 4.44Å; Q279-L305 CarbonylContact C-O 3.59Å; Q279-L305 VanDerWaalsContact CA-O 3.29Å; Q279-L305 WeakPolarHBondContact CA-O 3.24Å; Q279-L305 HydrophobicContact CB-CB 4.29Å; Q279-L305 HydrophobicContact CG-CB 4.42Å; Q279-W338 HydrophobicContact CG-CZ2 3.85Å |
| 280 | C | 93.9 | Very high | 88.6 | Confident | 6 Ų | 6 | 25.2 Ų | 25.2 | 4% | 0.041 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | -179.8 | -175.7 | 69.2 | 0 | 0 | 0 | 0 | 112.7 | A230 L278 L305 L306 G307 | A230-C280 HydrophobicContact CB-CB 4.15Å; L278-C280 HydrophobicContact CD1-CB 3.92Å; L278-C280 HydrophobicContact CG-CB 4.18Å; C280-L305 PolarHBondContact N-O 2.67Å; C280-L306 WeakPolarHBondContact O-CA 3.42Å; C280-L306 VanDerWaalsContact SG-CD2 3.53Å; C280-G307 PolarHBondContact O-N 2.99Å |
| 281 | T | 91.8 | Very high | 88.1 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | trans | -84.8 | 149.2 | 173.1 | 67.5 | 0 | 0 | 0 | 0 | 111.4 | S283 Q284 H562 G563 K564 | T281-S283 PolarHBondContact O-N 2.88Å; T281-Q284 PolarHBondContact O-N 2.78Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.38Å; T281-Q284 PolarHBondContact OG1-N 2.71Å; T281-Q284 PolarHBondContact OG1-OE1 2.87Å; T281-H562 WeakPolarHBondContact CG2-O 3.42Å; T281-G563 PolarHBondContact OG1-O 2.9Å; T281-K564 HydrophobicContact CG2-CG 3.8Å | ||
| 282 | P | 91 | Very high | 87.9 | Confident | 12 Ų | 12 | 34 Ų | 34 | 8% | 0.078 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -48 | -40 | 167.8 | -30.7 | 36.2 | 0 | 0 | 0 | 113.8 | I285 S286 L306 E309 P312 | P282-I285 WeakPolarHBondContact O-CG1 3.39Å; P282-I285 PolarHBondContact O-N 2.91Å; P282-S286 WeakPolarHBondContact O-CB 3.45Å; P282-S286 PolarHBondContact O-N 3.3Å; P282-L306 HydrophobicContact CG-CB 4.12Å; P282-E309 HydrophobicContact CG-CB 4.03Å; P282-P312 HydrophobicContact CB-CG 4.17Å |
| 283 | S | 88 | Confident | 87.5 | Confident | 6 Ų | 6 | 31.4 Ų | 31.4 | 4% | 0.042 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67 | -37.3 | -177.2 | -64.8 | 0 | 0 | 0 | 0 | 113.8 | T281 I285 S286 E309 G563 L565 | T281-S283 PolarHBondContact O-N 2.88Å; S283-I285 PolarHBondContact O-N 2.87Å; S283-S286 WeakPolarHBondContact CA-OG 3.32Å; S283-S286 PolarHBondContact O-N 2.98Å; S283-S286 VanDerWaalsContact O-N 3.13Å; S283-S286 PolarHBondContact O-OG 3.02Å; S283-E309 WeakPolarHBondContact CB-OE2 3.15Å; S283-E309 PolarHBondContact N-OE2 3.47Å; S283-E309 VanDerWaalsContact OG-CD 3.23Å; S283-E309 PolarHBondContact OG-OE1 3.41Å; S283-E309 VanDerWaalsContact OG-OE1 3.11Å; S283-E309 PolarHBondContact OG-OE2 3.45Å; S283-G563 WeakPolarHBondContact CB-O 3.38Å; S283-L565 WeakPolarHBondContact OG-CB 3.39Å |
| 284 | Q | 87.3 | Confident | 87.2 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.3 | -32.9 | 178.7 | -80.5 | 169.5 | -50.5 | 0 | 0 | 113 | A230 N261 P263 L266 T281 | A230-Q284 PolarHBondContact O-NE2 3.36Å; A230-Q284 VanDerWaalsContact O-NE2 3.12Å; N261-Q284 PolarHBondContact OD1-NE2 3.21Å; P263-Q284 WeakPolarHBondContact CB-O 3.27Å; P263-Q284 WeakPolarHBondContact CG-O 3.28Å; L266-Q284 HydrophobicContact CD2-CB 4.15Å; T281-Q284 PolarHBondContact O-N 2.78Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.38Å; T281-Q284 PolarHBondContact OG1-N 2.71Å; T281-Q284 PolarHBondContact OG1-OE1 2.87Å |
| 285 | I | 87.9 | Confident | 86.9 | Confident | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.036 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -96.5 | -19 | 175.3 | 63 | 162.4 | 0 | 0 | 0 | 113.6 | L266 P282 S283 G287 L288 L293 F296 L306 | L266-I285 HydrophobicContact CD2-CG2 4.07Å; P282-I285 WeakPolarHBondContact O-CG1 3.39Å; P282-I285 PolarHBondContact O-N 2.91Å; S283-I285 PolarHBondContact O-N 2.87Å; I285-G287 PolarHBondContact O-N 2.86Å; I285-G287 VanDerWaalsContact O-N 3.1Å; I285-L288 WeakPolarHBondContact O-CB 3.4Å; I285-L288 PolarHBondContact O-N 3.36Å; I285-L293 HydrophobicContact CD1-CD1 4.31Å; I285-F296 HydrophobicContact CG2-CE1 3.84Å; I285-F296 HydrophobicContact CG2-CZ 4.47Å; I285-L306 HydrophobicContact CD1-CD1 3.92Å; I285-L306 HydrophobicContact CD1-CD2 3.81Å; I285-L306 HydrophobicContact CG1-CD2 4.31Å |
| 286 | S | 81.8 | Confident | 86.6 | Confident | 34 Ų | 34 | 34.7 Ų | 34.7 | 24% | 0.238 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.7 | -25.4 | -171.9 | 72.9 | 0 | 0 | 0 | 0 | 115.6 | P282 S283 L288 N482 | P282-S286 WeakPolarHBondContact O-CB 3.45Å; P282-S286 PolarHBondContact O-N 3.3Å; S283-S286 WeakPolarHBondContact CA-OG 3.32Å; S283-S286 PolarHBondContact O-N 2.98Å; S283-S286 VanDerWaalsContact O-N 3.13Å; S283-S286 PolarHBondContact O-OG 3.02Å; S286-L288 VanDerWaalsContact C-N 3.33Å; S286-N482 PolarHBondContact OG-ND2 2.79Å; S286-N482 VanDerWaalsContact OG-ND2 3.1Å |
| 287 | G | 75.2 | Confident | 86.4 | Confident | 14 Ų | 14 | 34.8 Ų | 34.8 | 14% | 0.144 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -1.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I285 | I285-G287 PolarHBondContact O-N 2.86Å; I285-G287 VanDerWaalsContact O-N 3.1Å |
| 288 | L | 81.1 | Confident | 86 | Confident | 10 Ų | 10 | 36.8 Ų | 36.8 | 5% | 0.052 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -65.3 | 130.5 | 165.6 | -70.7 | -178.2 | 0 | 0 | 0 | 109.8 | P263 Y267 I285 S286 L292 L293 F296 | P263-L288 HydrophobicContact CB-CD2 4.01Å; P263-L288 HydrophobicContact CB-CG 3.99Å; P263-L288 VanDerWaalsContact O-CD2 3.28Å; P263-L288 WeakPolarHBondContact O-CD2 3.4Å; Y267-L288 HydrophobicContact CD2-CD1 4.5Å; I285-L288 WeakPolarHBondContact O-CB 3.4Å; I285-L288 PolarHBondContact O-N 3.36Å; S286-L288 VanDerWaalsContact C-N 3.33Å; L288-L292 HydrophobicContact CB-CB 4.34Å; L288-L292 HydrophobicContact CD2-CB 3.98Å; L288-L292 HydrophobicContact CD2-CD1 4.23Å; L288-L293 HydrophobicContact CB-CB 4.01Å; L288-L293 HydrophobicContact CD1-CD1 4.18Å; L288-F296 HydrophobicContact CD1-CB 4.22Å; L288-F296 HydrophobicContact CD1-CD1 4.21Å; L288-F296 HydrophobicContact CD1-CG 4.16Å |
| 289 | N | 77.7 | Confident | 85.3 | Confident | 50 Ų | 50 | 40 Ų | 40 | 27% | 0.267 | 19% | 0.19 | S | C | . | . | trans | -67.1 | 160.7 | 171.1 | 74.8 | 28.8 | 0 | 0 | 0 | 110.2 | R291 L292 L293 | N289-R291 PolarHBondContact O-N 2.79Å; N289-R291 PolarHBondContact OD1-N 2.8Å; N289-L292 PolarHBondContact O-N 2.87Å; N289-L292 PolarHBondContact OD1-N 3.3Å; N289-L293 PolarHBondContact O-N 3.05Å | ||
| 290 | R | 80.4 | Confident | 84.4 | Confident | 159 Ų | 159 | 41.8 Ų | 41.8 | 60% | 0.6 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -53.7 | -36.8 | -173.1 | -161.3 | 178.2 | -170.2 | 178.2 | 1.8 | 113.4 | D294 S318 F319 | R290-D294 WeakPolarHBondContact O-CB 3.33Å; R290-D294 PolarHBondContact O-N 2.69Å; R290-S318 PolarHBondContact NH2-O 2.97Å; R290-F319 HydrophobicContact CG-CE1 3.51Å; R290-F319 HydrophobicContact CG-CZ 3.66Å |
| 291 | R | 82.5 | Confident | 83.6 | Confident | 196 Ų | 196 | 42.8 Ų | 42.8 | 74% | 0.74 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -71.2 | -35.2 | 179.8 | -171.3 | -179.8 | -175.6 | -166.7 | 2 | 113.2 | N289 K295 | N289-R291 PolarHBondContact O-N 2.79Å; N289-R291 PolarHBondContact OD1-N 2.8Å; R291-K295 PolarHBondContact O-N 2.89Å |
| 292 | L | 84.5 | Confident | 83.4 | Confident | 41 Ų | 41 | 42.8 Ų | 42.8 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -76.7 | -38.9 | 175.4 | -69.8 | 174 | 0 | 0 | 0 | 111.6 | K264 Y267 L288 N289 K295 F296 | K264-L292 HydrophobicContact CG-CD1 4.22Å; Y267-L292 HydrophobicContact CE1-CD2 4.44Å; L288-L292 HydrophobicContact CB-CB 4.34Å; L288-L292 HydrophobicContact CD2-CB 3.98Å; L288-L292 HydrophobicContact CD2-CD1 4.23Å; N289-L292 PolarHBondContact O-N 2.87Å; N289-L292 PolarHBondContact OD1-N 3.3Å; L292-K295 PolarHBondContact O-N 2.9Å; L292-F296 WeakPolarHBondContact O-CB 3.2Å; L292-F296 PolarHBondContact O-N 2.7Å |
| 293 | L | 84.7 | Confident | 83.4 | Confident | 19 Ų | 19 | 42.2 Ų | 42.2 | 10% | 0.099 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.9 | -38.4 | 175.8 | -172.2 | 56.9 | 0 | 0 | 0 | 111.6 | I285 L288 N289 F296 L297 F319 | I285-L293 HydrophobicContact CD1-CD1 4.31Å; L288-L293 HydrophobicContact CB-CB 4.01Å; L288-L293 HydrophobicContact CD1-CD1 4.18Å; N289-L293 PolarHBondContact O-N 3.05Å; L293-F296 HydrophobicContact CD1-CD1 4.25Å; L293-F296 WeakPolarHBondContact O-CB 3.37Å; L293-F296 PolarHBondContact O-N 2.71Å; L293-L297 HydrophobicContact CD1-CD1 4Å; L293-L297 HydrophobicContact CD1-CD2 4.42Å; L293-L297 HydrophobicContact CD1-CG 3.97Å; L293-L297 HydrophobicContact CG-CD1 4.15Å; L293-L297 HydrophobicContact CG-CG 4.39Å; L293-L297 WeakPolarHBondContact O-CG 3.48Å; L293-L297 PolarHBondContact O-N 2.85Å; L293-F319 HydrophobicContact CB-CE1 4.26Å; L293-F319 HydrophobicContact CB-CZ 4.08Å; L293-F319 HydrophobicContact CD2-CE2 3.89Å; L293-F319 HydrophobicContact CD2-CZ 3.68Å; L293-F319 HydrophobicContact CG-CE1 4.33Å; L293-F319 HydrophobicContact CG-CE2 4.36Å; L293-F319 HydrophobicContact CG-CZ 3.91Å |
| 294 | D | 84.9 | Confident | 83.6 | Confident | 66 Ų | 66 | 42 Ų | 42 | 35% | 0.353 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 172.4 | -167.2 | 65.7 | 0 | 0 | 0 | 111.5 | R290 F296 L297 S298 F319 | R290-D294 WeakPolarHBondContact O-CB 3.33Å; R290-D294 PolarHBondContact O-N 2.69Å; D294-F296 VanDerWaalsContact C-N 3.32Å; D294-F296 PolarHBondContact O-N 2.91Å; D294-L297 CarbonylContact O-C 3.44Å; D294-L297 PolarHBondContact O-N 3.32Å; D294-S298 VanDerWaalsContact O-CB 3.28Å; D294-S298 WeakPolarHBondContact O-CB 3.37Å; D294-S298 PolarHBondContact O-N 2.88Å; D294-F319 HydrophobicContact CB-CD1 4Å; D294-F319 HydrophobicContact CB-CE1 4Å |
| 295 | K | 85.4 | Confident | 84 | Confident | 103 Ų | 103 | 41.9 Ų | 41.9 | 45% | 0.448 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63 | -33.1 | 172.1 | -81.6 | -166.5 | 167.8 | -152.2 | 0 | 114.5 | Y267 R291 L292 S298 Q299 | Y267-K295 HydrophobicContact CE2-CB 4.05Å; R291-K295 PolarHBondContact O-N 2.89Å; L292-K295 PolarHBondContact O-N 2.9Å; K295-S298 WeakPolarHBondContact CA-OG 3.1Å; K295-S298 PolarHBondContact O-OG 2.91Å; K295-Q299 PolarHBondContact O-NE2 3.02Å |
| 296 | F | 85.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71 | -41.3 | 179.2 | -165.6 | -122.2 | 0 | 0 | 0 | 110.6 | Y267 C270 M271 L278 I285 L288 L292 L293 D294 F302 S324 | Y267-F296 HydrophobicContact CD2-CB 3.94Å; Y267-F296 AromaticContact CD2-CD2 3.58Å; Y267-F296 HydrophobicContact CD2-CD2 3.58Å; Y267-F296 HydrophobicContact CD2-CE2 4.44Å; Y267-F296 HydrophobicContact CD2-CG 4.13Å; Y267-F296 HydrophobicContact CE2-CB 4.19Å; Y267-F296 HydrophobicContact CE2-CD2 4.24Å; Y267-F296 HydrophobicContact CG-CD2 4.39Å; C270-F296 HydrophobicContact CB-CE2 3.77Å; C270-F296 HydrophobicContact CB-CZ 4.41Å; M271-F296 HydrophobicContact CE-CD2 4.07Å; M271-F296 HydrophobicContact CE-CE2 4.27Å; L278-F296 HydrophobicContact CD2-CE1 3.88Å; L278-F296 HydrophobicContact CD2-CZ 3.53Å; I285-F296 HydrophobicContact CG2-CE1 3.84Å; I285-F296 HydrophobicContact CG2-CZ 4.47Å; L288-F296 HydrophobicContact CD1-CB 4.22Å; L288-F296 HydrophobicContact CD1-CD1 4.21Å; L288-F296 HydrophobicContact CD1-CG 4.16Å; L292-F296 WeakPolarHBondContact O-CB 3.2Å; L292-F296 PolarHBondContact O-N 2.7Å; L293-F296 HydrophobicContact CD1-CD1 4.25Å; L293-F296 WeakPolarHBondContact O-CB 3.37Å; L293-F296 PolarHBondContact O-N 2.71Å; D294-F296 VanDerWaalsContact C-N 3.32Å; D294-F296 PolarHBondContact O-N 2.91Å; F296-F302 HydrophobicContact CD1-CE1 4.11Å; F296-F302 HydrophobicContact CD2-CE1 4.15Å; F296-F302 AromaticContact CE1-CE1 3.89Å; F296-F302 HydrophobicContact CE1-CE1 3.89Å; F296-F302 HydrophobicContact CE1-CZ 4.07Å; F296-F302 AromaticContact CE2-CE1 3.95Å; F296-F302 HydrophobicContact CE2-CE1 3.95Å; F296-F302 AromaticContact CE2-CZ 3.99Å; F296-F302 HydrophobicContact CE2-CZ 3.99Å; F296-F302 HydrophobicContact CG-CE1 4.25Å; F296-F302 AromaticContact CZ-CE1 3.83Å; F296-F302 HydrophobicContact CZ-CE1 3.83Å; F296-F302 AromaticContact CZ-CZ 3.69Å; F296-F302 HydrophobicContact CZ-CZ 3.69Å; F296-F302 WeakPolarHBondContact O-CD1 3.16Å; F296-S324 PolarHBondContact O-OG 2.97Å |
| 297 | L | 86.5 | Confident | 84.8 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -90.2 | 0.8 | -179.4 | -54.6 | -174.2 | 0 | 0 | 0 | 113.5 | L293 D294 Q299 V304 L316 H322 K323 S324 L326 | L293-L297 HydrophobicContact CD1-CD1 4Å; L293-L297 HydrophobicContact CD1-CD2 4.42Å; L293-L297 HydrophobicContact CD1-CG 3.97Å; L293-L297 HydrophobicContact CG-CD1 4.15Å; L293-L297 HydrophobicContact CG-CG 4.39Å; L293-L297 WeakPolarHBondContact O-CG 3.48Å; L293-L297 PolarHBondContact O-N 2.85Å; D294-L297 CarbonylContact O-C 3.44Å; D294-L297 PolarHBondContact O-N 3.32Å; L297-Q299 VanDerWaalsContact C-N 3.33Å; L297-V304 HydrophobicContact CD2-CG2 4.17Å; L297-L316 HydrophobicContact CD1-CD2 3.79Å; L297-H322 HydrophobicContact CB-CB 3.94Å; L297-H322 CarbonylContact O-C 3.51Å; L297-H322 VanDerWaalsContact O-CA 3.24Å; L297-H322 WeakPolarHBondContact O-CA 3.4Å; L297-H322 WeakPolarHBondContact O-CB 3.39Å; L297-K323 PolarHBondContact O-N 2.97Å; L297-S324 VanDerWaalsContact CA-OG 3.31Å; L297-S324 WeakPolarHBondContact CA-OG 3.46Å; L297-S324 WeakPolarHBondContact O-CB 3.14Å; L297-S324 PolarHBondContact O-N 2.93Å; L297-S324 PolarHBondContact O-OG 2.87Å; L297-L326 HydrophobicContact CD1-CD1 4.43Å; L297-L326 HydrophobicContact CD1-CD2 4.31Å; L297-L326 HydrophobicContact CD2-CD2 3.87Å |
| 298 | S | 85.2 | Confident | 85.5 | Confident | 42 Ų | 42 | 40.7 Ų | 40.7 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 1 | 173.8 | 69.9 | 0 | 0 | 0 | 0 | 113.8 | D294 K295 | D294-S298 VanDerWaalsContact O-CB 3.28Å; D294-S298 WeakPolarHBondContact O-CB 3.37Å; D294-S298 PolarHBondContact O-N 2.88Å; K295-S298 WeakPolarHBondContact CA-OG 3.1Å; K295-S298 PolarHBondContact O-OG 2.91Å |
| 299 | Q | 80.8 | Confident | 85.9 | Confident | 67 Ų | 67 | 41.3 Ų | 41.3 | 31% | 0.313 | 20% | 0.2 | S | C | . | . | trans | -81.6 | 122.6 | -178.5 | -54.8 | -49.6 | -43.1 | 0 | 0 | 110.4 | M271 K295 L297 F302 K323 S324 | M271-Q299 HydrophobicContact CE-CG 4.04Å; M271-Q299 HydrophobicContact SD-CG 4.15Å; K295-Q299 PolarHBondContact O-NE2 3.02Å; L297-Q299 VanDerWaalsContact C-N 3.33Å; Q299-F302 HydrophobicContact CB-CB 3.75Å; Q299-F302 HydrophobicContact CB-CD1 4.18Å; Q299-F302 HydrophobicContact CB-CG 4.33Å; Q299-K323 CarbonylContact O-C 3.58Å; Q299-S324 PolarHBondContact N-OG 3.23Å; Q299-S324 VanDerWaalsContact O-CA 3.3Å; Q299-S324 WeakPolarHBondContact O-CA 3.45Å; Q299-S324 PolarHBondContact O-N 3.09Å; Q299-S324 PolarHBondContact O-OG 2.9Å | ||
| 300 | P | 76.8 | Confident | 86.5 | Confident | 40 Ų | 40 | 41.3 Ų | 41.3 | 26% | 0.26 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 152.3 | 174 | 31.8 | -35.1 | 0 | 0 | 0 | 110.6 | Y222 F302 | Y222-P300 HydrophobicContact CD2-CG 4.43Å; Y222-P300 HydrophobicContact CE1-CG 4.47Å; Y222-P300 HydrophobicContact CE2-CG 4.22Å; P300-F302 PolarHBondContact O-N 3.16Å |
| 301 | S | 77.1 | Confident | 87 | Confident | 27 Ų | 27 | 33.9 Ų | 33.9 | 19% | 0.189 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 6.3 | -176.3 | -45.3 | 0 | 0 | 0 | 0 | 116.1 | H219 H303 | H219-S301 WeakPolarHBondContact CE1-CB 3.44Å; H219-S301 PolarHBondContact CE1-OG 3.41Å; H219-S301 PolarHBondContact ND1-OG 3.29Å; H219-S301 WeakPolarHBondContact NE2-CB 3.25Å; S301-H303 PolarHBondContact O-CD2 3.22Å; S301-H303 VanDerWaalsContact O-CD2 3.25Å; S301-H303 PolarHBondContact O-N 2.88Å |
| 302 | F | 86.6 | Confident | 87.1 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.009 | 15% | 0.148 | C | C | . | . | trans | -83.7 | 113.6 | 175 | -179.2 | -143.1 | 0 | 0 | 0 | 109.7 | V275 G276 L278 F296 Q299 P300 V304 S324 I325 | V275-F302 HydrophobicContact CG1-CE2 4.25Å; V275-F302 WeakPolarHBondContact O-CD2 3.31Å; V275-F302 WeakPolarHBondContact O-CE2 3.47Å; G276-F302 WeakPolarHBondContact O-CA 3.33Å; L278-F302 HydrophobicContact CB-CE2 3.69Å; L278-F302 HydrophobicContact CB-CZ 3.9Å; L278-F302 HydrophobicContact CD2-CZ 3.9Å; F296-F302 HydrophobicContact CD1-CE1 4.11Å; F296-F302 HydrophobicContact CD2-CE1 4.15Å; F296-F302 AromaticContact CE1-CE1 3.89Å; F296-F302 HydrophobicContact CE1-CE1 3.89Å; F296-F302 HydrophobicContact CE1-CZ 4.07Å; F296-F302 AromaticContact CE2-CE1 3.95Å; F296-F302 HydrophobicContact CE2-CE1 3.95Å; F296-F302 AromaticContact CE2-CZ 3.99Å; F296-F302 HydrophobicContact CE2-CZ 3.99Å; F296-F302 HydrophobicContact CG-CE1 4.25Å; F296-F302 AromaticContact CZ-CE1 3.83Å; F296-F302 HydrophobicContact CZ-CE1 3.83Å; F296-F302 AromaticContact CZ-CZ 3.69Å; F296-F302 HydrophobicContact CZ-CZ 3.69Å; F296-F302 WeakPolarHBondContact O-CD1 3.16Å; Q299-F302 HydrophobicContact CB-CB 3.75Å; Q299-F302 HydrophobicContact CB-CD1 4.18Å; Q299-F302 HydrophobicContact CB-CG 4.33Å; P300-F302 PolarHBondContact O-N 3.16Å; F302-V304 HydrophobicContact CD1-CG2 3.73Å; F302-V304 HydrophobicContact CD2-CG2 4.38Å; F302-V304 HydrophobicContact CE1-CG2 3.49Å; F302-V304 VanDerWaalsContact CE1-CG2 3.49Å; F302-V304 HydrophobicContact CE2-CG2 4.17Å; F302-V304 HydrophobicContact CG-CG2 4.18Å; F302-V304 HydrophobicContact CZ-CG2 3.73Å; F302-S324 WeakPolarHBondContact CD1-OG 3.48Å; F302-S324 CarbonylContact O-C 3.36Å; F302-S324 VanDerWaalsContact O-CA 3.22Å; F302-S324 WeakPolarHBondContact O-CA 3.02Å; F302-S324 VanDerWaalsContact O-CB 3.24Å; F302-S324 WeakPolarHBondContact O-CB 3.3Å; F302-I325 PolarHBondContact O-N 3.17Å | ||
| 303 | H | 90.7 | Very high | 87.1 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 122.5 | 178.2 | -65.8 | -89.4 | 0 | 0 | 0 | 110 | F214 E217 H219 G276 W277 L278 S301 L305 Y327 | F214-H303 AromaticContact CD1-CE1 3.73Å; F214-H303 AromaticContact CD1-CG 3.93Å; F214-H303 AromaticContact CD1-ND1 3.56Å; F214-H303 HydrophobicContact CE1-CB 4.28Å; F214-H303 AromaticContact CE1-CE1 3.87Å; F214-H303 AromaticContact CE1-CG 3.88Å; F214-H303 AromaticContact CE1-ND1 3.3Å; F214-H303 VanDerWaalsContact CE1-ND1 3.3Å; F214-H303 WeakPolarHBondContact CE1-ND1 3.36Å; E217-H303 VanDerWaalsContact CD-NE2 3.31Å; E217-H303 IonicContact OE1-CE1 3.75Å; E217-H303 PolarHBondContact OE1-CE1 2.63Å; E217-H303 IonicContact OE1-NE2 2.7Å; E217-H303 PolarHBondContact OE1-NE2 2.91Å; E217-H303 IonicContact OE2-CD2 3.59Å; E217-H303 IonicContact OE2-CE1 2.88Å; E217-H303 PolarHBondContact OE2-CE1 3.13Å; E217-H303 IonicContact OE2-NE2 3.24Å; E217-H303 PolarHBondContact OE2-NE2 2.97Å; H219-H303 AromaticContact NE2-NE2 3.97Å; G276-H303 PolarHBondContact O-N 2.91Å; W277-H303 HydrophobicContact CG-CB 4.41Å; L278-H303 PolarHBondContact N-O 2.9Å; S301-H303 PolarHBondContact O-CD2 3.22Å; S301-H303 VanDerWaalsContact O-CD2 3.25Å; S301-H303 PolarHBondContact O-N 2.88Å; H303-L305 HydrophobicContact CB-CD1 4.11Å; H303-Y327 HydrophobicContact CB-CE2 4.48Å; H303-Y327 AromaticContact ND1-CE2 3.54Å |
| 304 | V | 92.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 103.9 | -179.6 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | L278 L297 F302 L306 I325 L326 Y327 | L278-V304 CarbonylContact O-C 3.45Å; L278-V304 WeakPolarHBondContact O-CA 3.49Å; L297-V304 HydrophobicContact CD2-CG2 4.17Å; F302-V304 HydrophobicContact CD1-CG2 3.73Å; F302-V304 HydrophobicContact CD2-CG2 4.38Å; F302-V304 HydrophobicContact CE1-CG2 3.49Å; F302-V304 VanDerWaalsContact CE1-CG2 3.49Å; F302-V304 HydrophobicContact CE2-CG2 4.17Å; F302-V304 HydrophobicContact CG-CG2 4.18Å; F302-V304 HydrophobicContact CZ-CG2 3.73Å; V304-L306 HydrophobicContact CG1-CD2 3.74Å; V304-L306 HydrophobicContact CG1-CG 4.15Å; V304-I325 PolarHBondContact N-O 3.21Å; V304-L326 HydrophobicContact CB-CD2 3.99Å; V304-L326 HydrophobicContact CG2-CD2 4.41Å; V304-Y327 PolarHBondContact O-N 2.83Å |
| 305 | L | 95.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 112.7 | 177.8 | -62.2 | 80.8 | 0 | 0 | 0 | 107.9 | L210 F214 W277 L278 Q279 C280 H303 Y327 I329 L341 | L210-L305 HydrophobicContact CD2-CD2 4.14Å; F214-L305 HydrophobicContact CE2-CD2 4.02Å; F214-L305 HydrophobicContact CZ-CD1 4.25Å; F214-L305 HydrophobicContact CZ-CD2 4.07Å; F214-L305 HydrophobicContact CZ-CG 4.42Å; W277-L305 HydrophobicContact CD2-CD1 4.13Å; W277-L305 HydrophobicContact CG-CD1 4.38Å; W277-L305 HydrophobicContact CZ2-CD1 3.97Å; W277-L305 HydrophobicContact CZ2-CD2 3.75Å; W277-L305 HydrophobicContact CZ2-CG 4.48Å; L278-L305 PolarHBondContact O-N 3Å; Q279-L305 CarbonylContact C-O 3.59Å; Q279-L305 VanDerWaalsContact CA-O 3.29Å; Q279-L305 WeakPolarHBondContact CA-O 3.24Å; Q279-L305 HydrophobicContact CB-CB 4.29Å; Q279-L305 HydrophobicContact CG-CB 4.42Å; C280-L305 PolarHBondContact N-O 2.67Å; H303-L305 HydrophobicContact CB-CD1 4.11Å; L305-Y327 HydrophobicContact CD1-CD2 4.36Å; L305-Y327 HydrophobicContact CG-CD2 4.12Å; L305-Y327 HydrophobicContact CG-CG 4.36Å; L305-I329 HydrophobicContact CB-CG2 4.15Å; L305-I329 HydrophobicContact CD2-CD1 4.08Å; L305-L341 HydrophobicContact CD2-CD1 4.39Å |
| 306 | L | 94.9 | Very high | 86.4 | Confident | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130.1 | 177.9 | -55.8 | -179.8 | 0 | 0 | 0 | 109.9 | C280 P282 I285 V304 F311 P312 L316 Y327 N328 I329 | C280-L306 WeakPolarHBondContact O-CA 3.42Å; C280-L306 VanDerWaalsContact SG-CD2 3.53Å; P282-L306 HydrophobicContact CG-CB 4.12Å; I285-L306 HydrophobicContact CD1-CD1 3.92Å; I285-L306 HydrophobicContact CD1-CD2 3.81Å; I285-L306 HydrophobicContact CG1-CD2 4.31Å; V304-L306 HydrophobicContact CG1-CD2 3.74Å; V304-L306 HydrophobicContact CG1-CG 4.15Å; L306-F311 HydrophobicContact CB-CD2 3.93Å; L306-F311 HydrophobicContact CB-CE2 3.86Å; L306-F311 HydrophobicContact CD1-CD2 4.36Å; L306-F311 HydrophobicContact CD1-CE2 3.88Å; L306-F311 HydrophobicContact CG-CE2 4.17Å; L306-P312 HydrophobicContact CD1-CG 4.38Å; L306-L316 HydrophobicContact CD1-CD1 3.73Å; L306-Y327 PolarHBondContact N-O 2.89Å; L306-N328 WeakPolarHBondContact O-CA 3.4Å; L306-N328 PolarHBondContact O-OD1 2.86Å; L306-I329 PolarHBondContact O-N 3.17Å |
| 307 | G | 93.3 | Very high | 85.9 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 174.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | C280 E309 I329 | C280-G307 PolarHBondContact O-N 2.99Å; G307-E309 PolarHBondContact O-N 3.16Å; G307-I329 WeakPolarHBondContact CA-O 3.29Å |
| 308 | G | 88.9 | Confident | 85.4 | Confident | 25 Ų | 25 | 28.6 Ų | 28.6 | 26% | 0.258 | 16% | 0.164 | S | C | . | . | S | Bend | trans | 72.1 | 1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116 | K564 | G308-K564 WeakPolarHBondContact O-CE 3.3Š|
| 309 | E | 89.6 | Confident | 85 | Confident | 24 Ų | 24 | 27.2 Ų | 27.2 | 11% | 0.112 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -146.9 | 163.4 | 169.5 | -50.3 | -172.4 | 104.5 | 0 | 0 | 109.9 | P282 S283 G307 F311 R484 K564 L565 | P282-E309 HydrophobicContact CG-CB 4.03Å; S283-E309 WeakPolarHBondContact CB-OE2 3.15Å; S283-E309 PolarHBondContact N-OE2 3.47Å; S283-E309 VanDerWaalsContact OG-CD 3.23Å; S283-E309 PolarHBondContact OG-OE1 3.41Å; S283-E309 VanDerWaalsContact OG-OE1 3.11Å; S283-E309 PolarHBondContact OG-OE2 3.45Å; G307-E309 PolarHBondContact O-N 3.16Å; E309-F311 PolarHBondContact O-N 3.35Å; E309-R484 IonicContact OE1-NH2 3.37Å; E309-K564 HydrophobicContact CG-CB 4.19Å; E309-K564 HydrophobicContact CG-CG 4Å; E309-L565 WeakPolarHBondContact OE1-CB 3.48Å; E309-L565 PolarHBondContact OE1-N 3.33Å |
| 310 | P | 89.7 | Confident | 84.6 | Confident | 50 Ų | 50 | 33.4 Ų | 33.4 | 33% | 0.325 | 18% | 0.178 | S | C | . | . | trans | -61.2 | 126.4 | -179.3 | -24.4 | 35.8 | 0 | 0 | 0 | 113.5 | F446 | P310-F446 HydrophobicContact CB-CD1 4.27Å; P310-F446 HydrophobicContact CB-CE1 4.16Å; P310-F446 HydrophobicContact CG-CD1 4.19Å; P310-F446 HydrophobicContact CG-CE1 3.59Å; P310-F446 HydrophobicContact CG-CZ 4.34Å | ||
| 311 | F | 91 | Very high | 84.2 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | trans | -63.2 | 125.6 | -173.7 | -168.1 | -103.8 | 0 | 0 | 0 | 113.2 | L306 E309 L313 L316 Y327 N328 V344 S368 | L306-F311 HydrophobicContact CB-CD2 3.93Å; L306-F311 HydrophobicContact CB-CE2 3.86Å; L306-F311 HydrophobicContact CD1-CD2 4.36Å; L306-F311 HydrophobicContact CD1-CE2 3.88Å; L306-F311 HydrophobicContact CG-CE2 4.17Å; E309-F311 PolarHBondContact O-N 3.35Å; F311-L313 HydrophobicContact CD1-CB 3.9Å; F311-L313 HydrophobicContact CD1-CD1 4.09Å; F311-L313 HydrophobicContact CE1-CB 4.27Å; F311-L313 HydrophobicContact CE1-CD1 3.79Å; F311-L313 PolarHBondContact O-N 3.4Å; F311-L316 HydrophobicContact CE1-CD1 3.96Å; F311-L316 HydrophobicContact CE2-CD1 3.97Å; F311-L316 HydrophobicContact CZ-CD1 3.5Å; F311-Y327 VanDerWaalsContact CE2-O 3.3Å; F311-Y327 WeakPolarHBondContact CE2-O 3.42Å; F311-N328 HydrophobicContact CB-CB 3.98Å; F311-N328 WeakPolarHBondContact CB-OD1 3.27Å; F311-N328 HydrophobicContact CD1-CB 4.31Å; F311-N328 HydrophobicContact CD2-CB 3.45Å; F311-N328 VanDerWaalsContact CD2-CB 3.45Å; F311-N328 WeakPolarHBondContact CD2-OD1 3.39Å; F311-N328 HydrophobicContact CE2-CB 3.96Å; F311-N328 HydrophobicContact CG-CB 3.66Å; F311-V344 HydrophobicContact CE1-CG2 3.61Å; F311-V344 HydrophobicContact CZ-CG2 3.58Å; F311-S368 PolarHBondContact N-OG 3.37Å; F311-S368 PolarHBondContact O-OG 2.83Å | ||
| 312 | P | 86.3 | Confident | 84.3 | Confident | 26 Ų | 26 | 37.6 Ų | 37.6 | 17% | 0.169 | 20% | 0.196 | C | C | . | . | trans | -81.8 | 53.9 | -174.8 | 35.1 | -37.2 | 0 | 0 | 0 | 112.6 | P282 L306 N314 D315 L316 | P282-P312 HydrophobicContact CB-CG 4.17Å; L306-P312 HydrophobicContact CD1-CG 4.38Å; P312-N314 PolarHBondContact O-N 2.82Å; P312-N314 VanDerWaalsContact O-N 3.1Å; P312-D315 HydrophobicContact CB-CB 4.37Å; P312-D315 PolarHBondContact O-N 3.05Å; P312-L316 HydrophobicContact CG-CD1 3.86Å; P312-L316 HydrophobicContact CG-CG 4.18Å; P312-L316 PolarHBondContact O-N 2.94Å; P312-L316 VanDerWaalsContact O-N 3.07Å | ||
| 313 | L | 84.2 | Confident | 84.1 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -49 | -43.3 | -172.8 | -171.8 | 65.4 | 0 | 0 | 0 | 113.1 | F311 R317 V344 P369 W445 | F311-L313 HydrophobicContact CD1-CB 3.9Å; F311-L313 HydrophobicContact CD1-CD1 4.09Å; F311-L313 HydrophobicContact CE1-CB 4.27Å; F311-L313 HydrophobicContact CE1-CD1 3.79Å; F311-L313 PolarHBondContact O-N 3.4Å; L313-R317 HydrophobicContact CD1-CG 4.19Å; L313-R317 HydrophobicContact CG-CG 4.39Å; L313-R317 VanDerWaalsContact O-CB 3.29Å; L313-R317 WeakPolarHBondContact O-CB 3.37Å; L313-R317 WeakPolarHBondContact O-CG 3.34Å; L313-R317 PolarHBondContact O-N 3.44Å; L313-V344 HydrophobicContact CD1-CG1 4.42Å; L313-V344 HydrophobicContact CD1-CG2 4.32Å; L313-P369 HydrophobicContact CD2-CG 4.21Å; L313-W445 HydrophobicContact CD2-CH2 3.85Å; L313-W445 HydrophobicContact CD2-CZ3 3.98Å |
| 314 | N | 79.4 | Confident | 83.8 | Confident | 78 Ų | 78 | 44.3 Ų | 44.3 | 42% | 0.417 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -73.3 | -31.3 | -176.6 | -67.6 | -29.3 | 0 | 0 | 0 | 113.5 | P312 H468 | P312-N314 PolarHBondContact O-N 2.82Å; P312-N314 VanDerWaalsContact O-N 3.1Å; N314-H468 PolarHBondContact ND2-NE2 2.81Å |
| 315 | D | 78.4 | Confident | 83.6 | Confident | 51 Ų | 51 | 45.6 Ų | 45.6 | 27% | 0.273 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -73.1 | -44.4 | 173.1 | -82.7 | -72 | 0 | 0 | 0 | 110 | P312 S318 F319 K479 | P312-D315 HydrophobicContact CB-CB 4.37Å; P312-D315 PolarHBondContact O-N 3.05Å; D315-S318 VanDerWaalsContact O-CB 3.29Å; D315-S318 WeakPolarHBondContact O-CB 3.24Å; D315-S318 PolarHBondContact O-N 2.62Å; D315-S318 PolarHBondContact O-OG 3.49Å; D315-F319 VanDerWaalsContact O-CD2 3.28Å; D315-F319 WeakPolarHBondContact O-CD2 3.03Å; D315-F319 WeakPolarHBondContact O-CE2 3.29Å; D315-K479 IonicContact OD1-NZ 2.66Å; D315-K479 PolarHBondContact OD1-NZ 3.37Å |
| 316 | L | 81.6 | Confident | 83.3 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.5 | -44.4 | -177 | -66.7 | 172.4 | 0 | 0 | 0 | 112.9 | L297 L306 F311 P312 S318 F319 L326 | L297-L316 HydrophobicContact CD1-CD2 3.79Å; L306-L316 HydrophobicContact CD1-CD1 3.73Å; F311-L316 HydrophobicContact CE1-CD1 3.96Å; F311-L316 HydrophobicContact CE2-CD1 3.97Å; F311-L316 HydrophobicContact CZ-CD1 3.5Å; P312-L316 HydrophobicContact CG-CD1 3.86Å; P312-L316 HydrophobicContact CG-CG 4.18Å; P312-L316 PolarHBondContact O-N 2.94Å; P312-L316 VanDerWaalsContact O-N 3.07Å; L316-S318 PolarHBondContact O-N 2.82Å; L316-F319 PolarHBondContact O-N 3.08Å; L316-L326 HydrophobicContact CB-CD1 4.09Å; L316-L326 HydrophobicContact CD1-CD1 4.41Å; L316-L326 HydrophobicContact CD2-CD1 4.4Å |
| 317 | R | 76 | Confident | 83.2 | Confident | 102 Ų | 102 | 46.1 Ų | 46.1 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -9.8 | 171.8 | -75 | -176.4 | 172.6 | 178.8 | -2.1 | 113.4 | L313 F319 | L313-R317 HydrophobicContact CD1-CG 4.19Å; L313-R317 HydrophobicContact CG-CG 4.39Å; L313-R317 VanDerWaalsContact O-CB 3.29Å; L313-R317 WeakPolarHBondContact O-CB 3.37Å; L313-R317 WeakPolarHBondContact O-CG 3.34Å; L313-R317 PolarHBondContact O-N 3.44Å; R317-F319 VanDerWaalsContact C-N 3.31Å |
| 318 | S | 76 | Confident | 83.3 | Confident | 48 Ų | 48 | 46.2 Ų | 46.2 | 34% | 0.336 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -4.9 | 174.7 | 87 | 0 | 0 | 0 | 0 | 114.5 | R290 D315 L316 | R290-S318 PolarHBondContact NH2-O 2.97Å; D315-S318 VanDerWaalsContact O-CB 3.29Å; D315-S318 WeakPolarHBondContact O-CB 3.24Å; D315-S318 PolarHBondContact O-N 2.62Å; D315-S318 PolarHBondContact O-OG 3.49Å; L316-S318 PolarHBondContact O-N 2.82Å |
| 319 | F | 77.3 | Confident | 83.6 | Confident | 14 Ų | 14 | 45 Ų | 45 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | trans | -100.4 | 86 | 176.9 | -67.2 | -94.7 | 0 | 0 | 0 | 110.3 | R290 L293 D294 D315 L316 R317 N321 H322 | R290-F319 HydrophobicContact CG-CE1 3.51Å; R290-F319 HydrophobicContact CG-CZ 3.66Å; L293-F319 HydrophobicContact CB-CE1 4.26Å; L293-F319 HydrophobicContact CB-CZ 4.08Å; L293-F319 HydrophobicContact CD2-CE2 3.89Å; L293-F319 HydrophobicContact CD2-CZ 3.68Å; L293-F319 HydrophobicContact CG-CE1 4.33Å; L293-F319 HydrophobicContact CG-CE2 4.36Å; L293-F319 HydrophobicContact CG-CZ 3.91Å; D294-F319 HydrophobicContact CB-CD1 4Å; D294-F319 HydrophobicContact CB-CE1 4Å; D315-F319 VanDerWaalsContact O-CD2 3.28Å; D315-F319 WeakPolarHBondContact O-CD2 3.03Å; D315-F319 WeakPolarHBondContact O-CE2 3.29Å; L316-F319 PolarHBondContact O-N 3.08Å; R317-F319 VanDerWaalsContact C-N 3.31Å; F319-N321 PolarHBondContact O-N 2.66Å; F319-H322 PolarHBondContact O-CD2 3.31Å; F319-H322 PolarHBondContact O-N 2.81Å | ||
| 320 | K | 70.6 | Confident | 83.9 | Confident | 196 Ų | 196 | 45 Ų | 45 | 85% | 0.852 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -17.2 | -176.3 | -73.1 | -169 | 172.8 | -168 | 0 | 115.4 | ||
| 321 | N | 69.4 | Low | 84 | Confident | 122 Ų | 122 | 43.2 Ų | 43.2 | 65% | 0.652 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113 | 17.3 | -169.8 | -60.8 | 6.9 | 0 | 0 | 0 | 112.9 | F319 K323 | F319-N321 PolarHBondContact O-N 2.66Å; N321-K323 PolarHBondContact O-N 3.18Å |
| 322 | H | 78.3 | Confident | 84 | Confident | 34 Ų | 34 | 44 Ų | 44 | 16% | 0.157 | 22% | 0.217 | C | C | . | . | trans | -66.7 | 130.9 | 177.7 | 77.7 | 86.4 | 0 | 0 | 0 | 111 | L297 F319 S324 | L297-H322 HydrophobicContact CB-CB 3.94Å; L297-H322 CarbonylContact O-C 3.51Å; L297-H322 VanDerWaalsContact O-CA 3.24Å; L297-H322 WeakPolarHBondContact O-CA 3.4Å; L297-H322 WeakPolarHBondContact O-CB 3.39Å; F319-H322 PolarHBondContact O-CD2 3.31Å; F319-H322 PolarHBondContact O-N 2.81Å; H322-S324 PolarHBondContact ND1-O 2.82Å | ||
| 323 | K | 82.6 | Confident | 84.2 | Confident | 142 Ų | 142 | 43.6 Ų | 43.6 | 62% | 0.617 | 21% | 0.213 | S | C | * | . | trans | -103.6 | -18.8 | 171.4 | -61.2 | -168.7 | 176.4 | -171.8 | 0 | 112.2 | L297 Q299 N321 | L297-K323 PolarHBondContact O-N 2.97Å; Q299-K323 CarbonylContact O-C 3.58Å; N321-K323 PolarHBondContact O-N 3.18Å | ||
| 324 | S | 85.5 | Confident | 84.4 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -72.5 | 143.6 | 174.2 | -50.6 | 0 | 0 | 0 | 0 | 110 | F296 L297 Q299 F302 H322 | F296-S324 PolarHBondContact O-OG 2.97Å; L297-S324 VanDerWaalsContact CA-OG 3.31Å; L297-S324 WeakPolarHBondContact CA-OG 3.46Å; L297-S324 WeakPolarHBondContact O-CB 3.14Å; L297-S324 PolarHBondContact O-N 2.93Å; L297-S324 PolarHBondContact O-OG 2.87Å; Q299-S324 PolarHBondContact N-OG 3.23Å; Q299-S324 VanDerWaalsContact O-CA 3.3Å; Q299-S324 WeakPolarHBondContact O-CA 3.45Å; Q299-S324 PolarHBondContact O-N 3.09Å; Q299-S324 PolarHBondContact O-OG 2.9Å; F302-S324 WeakPolarHBondContact CD1-OG 3.48Å; F302-S324 CarbonylContact O-C 3.36Å; F302-S324 VanDerWaalsContact O-CA 3.22Å; F302-S324 WeakPolarHBondContact O-CA 3.02Å; F302-S324 VanDerWaalsContact O-CB 3.24Å; F302-S324 WeakPolarHBondContact O-CB 3.3Å; H322-S324 PolarHBondContact ND1-O 2.82Å |
| 325 | I | 87 | Confident | 84.7 | Confident | 28 Ų | 28 | 40.5 Ų | 40.5 | 14% | 0.144 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 117.6 | -172.9 | -49.7 | 179.9 | 0 | 0 | 0 | 108.1 | F302 V304 Y327 K343 | F302-I325 PolarHBondContact O-N 3.17Å; V304-I325 PolarHBondContact N-O 3.21Å; I325-Y327 HydrophobicContact CB-CE2 4.04Å; I325-Y327 HydrophobicContact CG2-CD2 4.49Å; I325-Y327 HydrophobicContact CG2-CE2 3.54Å; I325-Y327 WeakPolarHBondContact CG2-OH 3.39Å; I325-K343 HydrophobicContact CG2-CD 4.42Å |
| 326 | L | 89.8 | Confident | 85.1 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 133.5 | -169.4 | -49.1 | 179.9 | 0 | 0 | 0 | 110.8 | L297 V304 L316 V344 | L297-L326 HydrophobicContact CD1-CD1 4.43Å; L297-L326 HydrophobicContact CD1-CD2 4.31Å; L297-L326 HydrophobicContact CD2-CD2 3.87Å; V304-L326 HydrophobicContact CB-CD2 3.99Å; V304-L326 HydrophobicContact CG2-CD2 4.41Å; L316-L326 HydrophobicContact CB-CD1 4.09Å; L316-L326 HydrophobicContact CD1-CD1 4.41Å; L316-L326 HydrophobicContact CD2-CD1 4.4Å; L326-V344 HydrophobicContact CB-CB 4.1Å; L326-V344 HydrophobicContact CB-CG2 4Å; L326-V344 PolarHBondContact O-N 2.7Å |
| 327 | Y | 92.8 | Very high | 85.5 | Confident | 10 Ų | 10 | 38 Ų | 38 | 4% | 0.039 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 144.2 | 175.2 | -55.3 | -99.1 | 0 | 0 | 0 | 110.8 | F214 H303 V304 L305 L306 F311 I325 L341 F342 K343 I356 | F214-Y327 HydrophobicContact CE1-CD2 4.36Å; F214-Y327 HydrophobicContact CE1-CE1 4.28Å; F214-Y327 AromaticContact CE1-CE2 3.58Å; F214-Y327 HydrophobicContact CE1-CE2 3.58Å; F214-Y327 AromaticContact CE1-CZ 3.53Å; F214-Y327 WeakPolarHBondContact CE1-OH 3.35Å; F214-Y327 HydrophobicContact CZ-CD1 4.48Å; F214-Y327 HydrophobicContact CZ-CD2 4.2Å; F214-Y327 HydrophobicContact CZ-CE1 4.12Å; F214-Y327 AromaticContact CZ-CE2 3.83Å; F214-Y327 HydrophobicContact CZ-CE2 3.83Å; F214-Y327 AromaticContact CZ-CZ 3.79Å; H303-Y327 HydrophobicContact CB-CE2 4.48Å; H303-Y327 AromaticContact ND1-CE2 3.54Å; V304-Y327 PolarHBondContact O-N 2.83Å; L305-Y327 HydrophobicContact CD1-CD2 4.36Å; L305-Y327 HydrophobicContact CG-CD2 4.12Å; L305-Y327 HydrophobicContact CG-CG 4.36Å; L306-Y327 PolarHBondContact N-O 2.89Å; F311-Y327 VanDerWaalsContact CE2-O 3.3Å; F311-Y327 WeakPolarHBondContact CE2-O 3.42Å; I325-Y327 HydrophobicContact CB-CE2 4.04Å; I325-Y327 HydrophobicContact CG2-CD2 4.49Å; I325-Y327 HydrophobicContact CG2-CE2 3.54Å; I325-Y327 WeakPolarHBondContact CG2-OH 3.39Å; Y327-L341 HydrophobicContact CD1-CD1 4.17Å; Y327-L341 HydrophobicContact CD1-CD2 4.45Å; Y327-L341 HydrophobicContact CD1-CG 4.3Å; Y327-L341 HydrophobicContact CG-CD1 4.4Å; Y327-F342 CarbonylContact C-O 3.55Å; Y327-F342 WeakPolarHBondContact CA-O 3.07Å; Y327-K343 HydrophobicContact CD1-CB 3.77Å; Y327-K343 HydrophobicContact CD1-CG 4.09Å; Y327-K343 HydrophobicContact CE1-CB 3.65Å; Y327-K343 HydrophobicContact CE1-CD 3.81Å; Y327-K343 HydrophobicContact CE1-CG 3.64Å; Y327-I356 HydrophobicContact CD1-CD1 4.44Å; Y327-I356 HydrophobicContact CE1-CD1 4.07Å |
| 328 | N | 94.5 | Very high | 86.3 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 137.6 | 154 | -172.8 | 41.8 | 0 | 0 | 0 | 108.4 | L306 F311 F342 P369 | L306-N328 WeakPolarHBondContact O-CA 3.4Å; L306-N328 PolarHBondContact O-OD1 2.86Å; F311-N328 HydrophobicContact CB-CB 3.98Å; F311-N328 WeakPolarHBondContact CB-OD1 3.27Å; F311-N328 HydrophobicContact CD1-CB 4.31Å; F311-N328 HydrophobicContact CD2-CB 3.45Å; F311-N328 VanDerWaalsContact CD2-CB 3.45Å; F311-N328 WeakPolarHBondContact CD2-OD1 3.39Å; F311-N328 HydrophobicContact CE2-CB 3.96Å; F311-N328 HydrophobicContact CG-CB 3.66Å; N328-F342 HydrophobicContact CB-CB 4.2Å; N328-F342 PolarHBondContact N-O 2.98Å; N328-F342 PolarHBondContact O-N 3.16Å; N328-P369 PolarHBondContact ND2-O 3.42Å |
| 329 | I | 95.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 128.9 | 171.2 | -163.7 | 170 | 0 | 0 | 0 | 108.8 | L210 L305 L306 G307 W338 S340 L341 M374 | L210-I329 HydrophobicContact CD2-CD1 4.1Å; L305-I329 HydrophobicContact CB-CG2 4.15Å; L305-I329 HydrophobicContact CD2-CD1 4.08Å; L306-I329 PolarHBondContact O-N 3.17Å; G307-I329 WeakPolarHBondContact CA-O 3.29Å; I329-W338 HydrophobicContact CB-CD2 4.41Å; I329-W338 HydrophobicContact CB-CE3 4.44Å; I329-W338 HydrophobicContact CD1-CB 3.84Å; I329-W338 VanDerWaalsContact CD1-CD1 3.4Å; I329-W338 HydrophobicContact CD1-CD2 3.75Å; I329-W338 HydrophobicContact CD1-CG 3.39Å; I329-W338 HydrophobicContact CG1-CB 3.81Å; I329-W338 HydrophobicContact CG1-CD2 3.63Å; I329-W338 HydrophobicContact CG1-CE3 3.97Å; I329-W338 HydrophobicContact CG1-CG 3.59Å; I329-W338 HydrophobicContact CG2-CD2 4.06Å; I329-W338 HydrophobicContact CG2-CE3 4.07Å; I329-W338 HydrophobicContact CG2-CH2 3.89Å; I329-W338 HydrophobicContact CG2-CZ2 3.86Å; I329-W338 HydrophobicContact CG2-CZ3 3.99Å; I329-S340 WeakPolarHBondContact CA-O 3.46Å; I329-L341 HydrophobicContact CB-CD1 4.02Å; I329-L341 HydrophobicContact CD1-CD1 4.1Å; I329-L341 HydrophobicContact CG1-CD1 4Å; I329-M374 HydrophobicContact CD1-CE 4.43Å; I329-M374 HydrophobicContact CD1-SD 4.08Å; I329-M374 HydrophobicContact CG1-SD 4.17Å |
| 330 | Y | 95.5 | Very high | 88.1 | Confident | 22 Ų | 22 | 30.5 Ų | 30.5 | 9% | 0.086 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 148.2 | -173.9 | 159.7 | -88.3 | 0 | 0 | 0 | 111 | A339 S340 L370 L392 L394 T431 D433 | Y330-A339 WeakPolarHBondContact O-CA 3.26Å; Y330-A339 PolarHBondContact O-N 2.95Å; Y330-S340 WeakPolarHBondContact CD1-OG 3.37Å; Y330-S340 PolarHBondContact N-O 3.21Å; Y330-S340 PolarHBondContact O-N 2.83Å; Y330-L370 HydrophobicContact CD1-CD1 4.11Å; Y330-L370 HydrophobicContact CD1-CD2 4.02Å; Y330-L370 HydrophobicContact CD1-CG 4.46Å; Y330-L370 HydrophobicContact CD2-CD2 3.69Å; Y330-L370 HydrophobicContact CE1-CD1 4.06Å; Y330-L370 HydrophobicContact CE2-CD2 4.32Å; Y330-L370 HydrophobicContact CG-CD1 4.41Å; Y330-L370 HydrophobicContact CG-CD2 3.53Å; Y330-L370 HydrophobicContact CG-CG 4.42Å; Y330-L392 HydrophobicContact CE1-CD2 3.65Å; Y330-L394 HydrophobicContact CE1-CD1 4.05Å; Y330-T431 PolarHBondContact OH-OG1 3.4Å; Y330-D433 WeakPolarHBondContact CE2-OD2 3.26Å; Y330-D433 PolarHBondContact OH-OD2 2.96Å |
| 331 | G | 92.6 | Very high | 89.2 | Confident | 13 Ų | 13 | 21.2 Ų | 21.2 | 13% | 0.134 | 11% | 0.106 | C | C | . | . | trans | 174.2 | -178.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | S337 | G331-S337 CarbonylContact C-O 3.53Å; G331-S337 VanDerWaalsContact CA-O 3.29Å; G331-S337 WeakPolarHBondContact CA-O 3.38Å | ||
| 332 | T | 91.1 | Very high | 90.3 | Very high | 21 Ų | 21 | 15.4 Ų | 15.4 | 13% | 0.129 | 8% | 0.075 | C | C | . | . | trans | -132.4 | 152.4 | 176.1 | 84.7 | 0 | 0 | 0 | 0 | 108.7 | E334 V335 S336 T431 | T332-E334 WeakPolarHBondContact CB-OE2 3.39Å; T332-E334 PolarHBondContact O-N 2.75Å; T332-E334 VanDerWaalsContact O-N 3.13Å; T332-E334 PolarHBondContact OG1-OE2 3.33Å; T332-V335 CarbonylContact O-C 3.54Å; T332-V335 WeakPolarHBondContact O-CG2 3.35Å; T332-V335 PolarHBondContact O-N 2.84Å; T332-S336 PolarHBondContact O-N 2.99Å; T332-T431 HydrophobicContact CG2-CG2 3.85Å | ||
| 333 | T | 89.9 | Confident | 90.8 | Very high | 16 Ų | 16 | 14.9 Ų | 14.9 | 10% | 0.098 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -57.3 | -32.7 | -175.2 | -55.5 | 0 | 0 | 0 | 0 | 112.2 | L183 T185 V196 D236 V335 S336 | L183-T333 HydrophobicContact CB-CG2 4.2Å; L183-T333 HydrophobicContact CD1-CG2 4.01Å; T185-T333 HydrophobicContact CG2-CG2 3.94Å; V196-T333 HydrophobicContact CB-CG2 4.21Å; V196-T333 HydrophobicContact CG2-CG2 4.12Å; D236-T333 HydrophobicContact CB-CG2 4.49Å; D236-T333 WeakPolarHBondContact OD1-CB 3.49Å; D236-T333 VanDerWaalsContact OD1-CG2 3.26Å; D236-T333 WeakPolarHBondContact OD1-CG2 3.39Å; D236-T333 PolarHBondContact OD1-OG1 2.83Å; D236-T333 VanDerWaalsContact OD2-CA 3.3Å; D236-T333 WeakPolarHBondContact OD2-CA 3.42Å; D236-T333 PolarHBondContact OD2-OG1 3.37Å; T333-V335 PolarHBondContact O-N 3.47Å; T333-S336 PolarHBondContact O-N 3.14Å |
| 334 | E | 87.9 | Confident | 90.9 | Very high | 19 Ų | 19 | 8.3 Ų | 8.3 | 9% | 0.089 | 5% | 0.045 | C | C | . | . | G | 310 helix | trans | -56.8 | -28.8 | 174.1 | -56.4 | 96.1 | 144.8 | 0 | 0 | 114 | K194 V196 T332 F401 I403 W429 | K194-E334 WeakPolarHBondContact CE-OE1 3.31Å; K194-E334 IonicContact NZ-OE1 2.82Å; K194-E334 PolarHBondContact NZ-OE1 2.78Å; V196-E334 HydrophobicContact CG2-CG 4.24Å; T332-E334 WeakPolarHBondContact CB-OE2 3.39Å; T332-E334 PolarHBondContact O-N 2.75Å; T332-E334 VanDerWaalsContact O-N 3.13Å; T332-E334 PolarHBondContact OG1-OE2 3.33Å; E334-F401 WeakPolarHBondContact O-CB 3.27Å; E334-F401 WeakPolarHBondContact O-CD2 3.49Å; E334-F401 WeakPolarHBondContact O-CG 3.47Å; E334-I403 HydrophobicContact CB-CD1 3.94Å; E334-I403 HydrophobicContact CB-CG1 4.41Å; E334-I403 HydrophobicContact CG-CD1 3.61Å; E334-I403 HydrophobicContact CG-CG1 4.09Å; E334-W429 HydrophobicContact CB-CD2 4.03Å; E334-W429 HydrophobicContact CB-CG 3.98Å; E334-W429 HydrophobicContact CB-CZ2 4.42Å; E334-W429 HydrophobicContact CG-CD2 4.24Å; E334-W429 HydrophobicContact CG-CZ2 3.73Å; E334-W429 VanDerWaalsContact OE1-CZ2 3.3Å; E334-W429 WeakPolarHBondContact OE1-CZ2 3.34Å |
| 335 | V | 86.1 | Confident | 90.1 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | G | 310 helix | trans | -111.7 | 22.7 | 174.5 | -59.9 | 0 | 0 | 0 | 0 | 112.8 | T332 T333 A339 L394 R396 F401 W429 | T332-V335 CarbonylContact O-C 3.54Å; T332-V335 WeakPolarHBondContact O-CG2 3.35Å; T332-V335 PolarHBondContact O-N 2.84Å; T333-V335 PolarHBondContact O-N 3.47Å; V335-A339 HydrophobicContact CG2-CB 4.25Å; V335-L394 HydrophobicContact CG1-CB 3.86Å; V335-L394 HydrophobicContact CG2-CB 4.32Å; V335-L394 HydrophobicContact CG2-CD1 3.73Å; V335-R396 HydrophobicContact CB-CG 4.39Å; V335-F401 HydrophobicContact CG1-CD1 4.46Å; V335-F401 HydrophobicContact CG1-CE1 3.99Å; V335-F401 HydrophobicContact CG1-CZ 4.02Å; V335-W429 HydrophobicContact CG1-CB 4.04Å; V335-W429 HydrophobicContact CG1-CG 4.42Å |
| 336 | S | 86.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | trans | 66.3 | 80.3 | 171.2 | -46.7 | 0 | 0 | 0 | 0 | 114.8 | V198 C202 N206 T332 T333 W338 | V198-S336 WeakPolarHBondContact CG1-OG 3.49Å; V198-S336 VanDerWaalsContact CG2-OG 3.3Å; V198-S336 WeakPolarHBondContact CG2-OG 3.39Å; C202-S336 VanDerWaalsContact CB-OG 3.25Å; C202-S336 WeakPolarHBondContact CB-OG 3.5Å; N206-S336 PolarHBondContact OD1-O 3.21Å; T332-S336 PolarHBondContact O-N 2.99Å; T333-S336 PolarHBondContact O-N 3.14Å; S336-W338 PolarHBondContact O-N 2.95Å | ||
| 337 | S | 89.7 | Confident | 87.1 | Confident | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.014 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 66.3 | -82.4 | 179.9 | -153.1 | 0 | 0 | 0 | 0 | 114.6 | D236 P237 G331 | D236-S337 WeakPolarHBondContact OD2-CA 3.3Å; D236-S337 PolarHBondContact OD2-N 3.3Å; P237-S337 WeakPolarHBondContact CA-OG 3.39Å; P237-S337 WeakPolarHBondContact CD-OG 3.48Å; P237-S337 WeakPolarHBondContact CG-OG 3.3Å; G331-S337 CarbonylContact C-O 3.53Å; G331-S337 VanDerWaalsContact CA-O 3.29Å; G331-S337 WeakPolarHBondContact CA-O 3.38Å |
| 338 | W | 94.4 | Very high | 85.1 | Confident | 8 Ų | 8 | 19.4 Ų | 19.4 | 3% | 0.03 | 12% | 0.119 | C | C | . | . | trans | -125.1 | 134.7 | -166.6 | -46.3 | 121 | 0 | 0 | 0 | 113.6 | N206 P237 Q279 I329 S336 M374 | N206-W338 PolarHBondContact ND2-O 3.18Å; N206-W338 WeakPolarHBondContact OD1-CA 3.27Å; N206-W338 WeakPolarHBondContact OD1-CB 3.4Å; N206-W338 PolarHBondContact OD1-N 3.16Å; N206-W338 PolarHBondContact OD1-O 2.97Å; P237-W338 HydrophobicContact CB-CH2 4.49Å; P237-W338 HydrophobicContact CB-CZ2 3.79Å; P237-W338 HydrophobicContact CG-CH2 3.85Å; P237-W338 HydrophobicContact CG-CZ2 3.53Å; Q279-W338 HydrophobicContact CG-CZ2 3.85Å; I329-W338 HydrophobicContact CB-CD2 4.41Å; I329-W338 HydrophobicContact CB-CE3 4.44Å; I329-W338 HydrophobicContact CD1-CB 3.84Å; I329-W338 VanDerWaalsContact CD1-CD1 3.4Å; I329-W338 HydrophobicContact CD1-CD2 3.75Å; I329-W338 HydrophobicContact CD1-CG 3.39Å; I329-W338 HydrophobicContact CG1-CB 3.81Å; I329-W338 HydrophobicContact CG1-CD2 3.63Å; I329-W338 HydrophobicContact CG1-CE3 3.97Å; I329-W338 HydrophobicContact CG1-CG 3.59Å; I329-W338 HydrophobicContact CG2-CD2 4.06Å; I329-W338 HydrophobicContact CG2-CE3 4.07Å; I329-W338 HydrophobicContact CG2-CH2 3.89Å; I329-W338 HydrophobicContact CG2-CZ2 3.86Å; I329-W338 HydrophobicContact CG2-CZ3 3.99Å; S336-W338 PolarHBondContact O-N 2.95Å; W338-M374 HydrophobicContact CB-CE 4.24Å; W338-M374 HydrophobicContact CB-SD 3.67Å | ||
| 339 | A | 94.7 | Very high | 82.9 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -110.6 | -31 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y330 V335 M374 T377 L394 | Y330-A339 WeakPolarHBondContact O-CA 3.26Å; Y330-A339 PolarHBondContact O-N 2.95Å; V335-A339 HydrophobicContact CG2-CB 4.25Å; A339-M374 PolarHBondContact O-N 2.75Å; A339-T377 HydrophobicContact CB-CG2 3.98Å; A339-T377 WeakPolarHBondContact O-CG2 3.5Å; A339-T377 PolarHBondContact O-OG1 2.87Å; A339-L394 HydrophobicContact CB-CD1 3.71Å; A339-L394 HydrophobicContact CB-CD2 4.12Å |
| 340 | S | 94.8 | Very high | 80.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 152.7 | -173.3 | 78.3 | 0 | 0 | 0 | 0 | 114.4 | I329 Y330 L370 F372 | I329-S340 WeakPolarHBondContact CA-O 3.46Å; Y330-S340 WeakPolarHBondContact CD1-OG 3.37Å; Y330-S340 PolarHBondContact N-O 3.21Å; Y330-S340 PolarHBondContact O-N 2.83Å; S340-L370 WeakPolarHBondContact CB-O 3.49Å; S340-L370 PolarHBondContact OG-O 2.94Å; S340-F372 CarbonylContact C-O 3.57Å; S340-F372 WeakPolarHBondContact CA-O 3.42Å; S340-F372 VanDerWaalsContact CB-O 3.25Å; S340-F372 WeakPolarHBondContact CB-O 3.43Å |
| 341 | L | 94.2 | Very high | 78.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 142.9 | 178.5 | -169.7 | 68.6 | 0 | 0 | 0 | 110.9 | L305 Y327 I329 I356 F372 M374 | L305-L341 HydrophobicContact CD2-CD1 4.39Å; Y327-L341 HydrophobicContact CD1-CD1 4.17Å; Y327-L341 HydrophobicContact CD1-CD2 4.45Å; Y327-L341 HydrophobicContact CD1-CG 4.3Å; Y327-L341 HydrophobicContact CG-CD1 4.4Å; I329-L341 HydrophobicContact CB-CD1 4.02Å; I329-L341 HydrophobicContact CD1-CD1 4.1Å; I329-L341 HydrophobicContact CG1-CD1 4Å; L341-I356 HydrophobicContact CD2-CD1 3.81Å; L341-I356 HydrophobicContact CG-CD1 4.32Å; L341-F372 PolarHBondContact N-O 2.74Å; L341-F372 PolarHBondContact O-N 3.38Å; L341-F372 VanDerWaalsContact O-N 3.1Å; L341-M374 HydrophobicContact CB-CG 4.01Å; L341-M374 HydrophobicContact CB-SD 4.19Å |
| 342 | F | 92.4 | Very high | 76 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 121 | 173.1 | 179.3 | -100.5 | 0 | 0 | 0 | 110.4 | Y327 N328 V344 I356 C358 P369 F372 | Y327-F342 CarbonylContact C-O 3.55Å; Y327-F342 WeakPolarHBondContact CA-O 3.07Å; N328-F342 HydrophobicContact CB-CB 4.2Å; N328-F342 PolarHBondContact N-O 2.98Å; N328-F342 PolarHBondContact O-N 3.16Å; F342-V344 HydrophobicContact CD1-CG2 4.43Å; F342-V344 HydrophobicContact CE1-CG2 4.26Å; F342-I356 WeakPolarHBondContact CA-O 3.25Å; F342-C358 HydrophobicContact CE2-CB 3.72Å; F342-C358 HydrophobicContact CZ-CB 4.45Å; F342-P369 HydrophobicContact CD1-CB 4.12Å; F342-P369 HydrophobicContact CD1-CG 3.72Å; F342-P369 HydrophobicContact CD2-CB 4.15Å; F342-P369 HydrophobicContact CE1-CB 4.14Å; F342-P369 HydrophobicContact CE1-CG 3.66Å; F342-P369 HydrophobicContact CE2-CB 4.16Å; F342-P369 HydrophobicContact CG-CB 4.13Å; F342-P369 HydrophobicContact CG-CG 4.22Å; F342-P369 HydrophobicContact CZ-CB 4.15Å; F342-P369 HydrophobicContact CZ-CG 4.1Å; F342-F372 HydrophobicContact CD2-CE2 4.35Å |
| 343 | K | 90.2 | Very high | 74.2 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 10% | 0.104 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 129.6 | 171.1 | -175.1 | 168.7 | 177.1 | 168.3 | 0 | 109.8 | I325 Y327 C351 I356 H357 | I325-K343 HydrophobicContact CG2-CD 4.42Å; Y327-K343 HydrophobicContact CD1-CB 3.77Å; Y327-K343 HydrophobicContact CD1-CG 4.09Å; Y327-K343 HydrophobicContact CE1-CB 3.65Å; Y327-K343 HydrophobicContact CE1-CD 3.81Å; Y327-K343 HydrophobicContact CE1-CG 3.64Å; K343-C351 PolarHBondContact NZ-SG 3.41Å; K343-C351 VanDerWaalsContact NZ-SG 3.44Å; K343-I356 HydrophobicContact CB-CD1 3.94Å; K343-I356 HydrophobicContact CB-CG1 3.97Å; K343-I356 PolarHBondContact N-O 3.46Å; K343-H357 PolarHBondContact O-ND1 3.46Å |
| 344 | V | 84.1 | Confident | 72.7 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 134.8 | 167.8 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | F311 L313 L326 F342 S346 | F311-V344 HydrophobicContact CE1-CG2 3.61Å; F311-V344 HydrophobicContact CZ-CG2 3.58Å; L313-V344 HydrophobicContact CD1-CG1 4.42Å; L313-V344 HydrophobicContact CD1-CG2 4.32Å; L326-V344 HydrophobicContact CB-CB 4.1Å; L326-V344 HydrophobicContact CB-CG2 4Å; L326-V344 PolarHBondContact O-N 2.7Å; F342-V344 HydrophobicContact CD1-CG2 4.43Å; F342-V344 HydrophobicContact CE1-CG2 4.26Å; V344-S346 PolarHBondContact O-N 2.75Å |
| 345 | S | 69.1 | Low | 72.1 | Confident | 51 Ų | 51 | 61 Ų | 61 | 36% | 0.357 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 123.3 | 175.6 | -159.8 | 0 | 0 | 0 | 0 | 110.4 | H357 | S345-H357 PolarHBondContact N-CE1 2.83Š|
| 346 | S | 59.2 | Low | 71.9 | Confident | 22 Ų | 22 | 61.4 Ų | 61.4 | 15% | 0.154 | 31% | 0.311 | C | S | . | . | trans | -78.4 | 174.2 | 158.1 | 56.5 | 0 | 0 | 0 | 0 | 109.2 | V344 D348 | V344-S346 PolarHBondContact O-N 2.75Å; S346-D348 PolarHBondContact O-N 2.54Å; S346-D348 VanDerWaalsContact O-N 3.17Å | ||
| 347 | S | 54.5 | Low | 71.6 | Confident | 106 Ų | 106 | 63.3 Ų | 63.3 | 74% | 0.741 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -63 | -15.9 | 171.9 | 43.2 | 0 | 0 | 0 | 0 | 113.8 | R349 | S347-R349 PolarHBondContact O-N 3.12Å; S347-R349 VanDerWaalsContact O-N 3.13Å |
| 348 | D | 50.6 | Low | 71.1 | Confident | 96 Ų | 96 | 63.6 Ų | 63.6 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | trans | -82.2 | 89.7 | -176.3 | -57.6 | -57 | 0 | 0 | 0 | 111.9 | S346 Y350 C351 | S346-D348 PolarHBondContact O-N 2.54Å; S346-D348 VanDerWaalsContact O-N 3.17Å; D348-Y350 PolarHBondContact O-N 2.86Å; D348-C351 PolarHBondContact O-N 3.2Å; D348-C351 VanDerWaalsContact O-N 3.13Å | ||
| 349 | R | 47.7 | Very low | 70.3 | Confident | 230 Ų | 230 | 70.3 Ų | 70.3 | 87% | 0.868 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -9.2 | 171.9 | -68.8 | -178.6 | 171 | 177.7 | -3.9 | 114.9 | S347 | S347-R349 PolarHBondContact O-N 3.12Å; S347-R349 VanDerWaalsContact O-N 3.13Å |
| 350 | Y | 47.4 | Very low | 69.6 | Low | 208 Ų | 208 | 71.4 Ų | 71.4 | 82% | 0.816 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 8.4 | 178.7 | -61.1 | -73.4 | 0 | 0 | 0 | 114.1 | D348 I352 | D348-Y350 PolarHBondContact O-N 2.86Å; Y350-I352 VanDerWaalsContact C-N 3.34Å; Y350-I352 PolarHBondContact O-N 3.41Å |
| 351 | C | 47.3 | Very low | 68.9 | Low | 50 Ų | 50 | 74.9 Ų | 74.9 | 34% | 0.338 | 39% | 0.386 | S | S | . | . | trans | -73.4 | 79.4 | 171.2 | -83.5 | 0 | 0 | 0 | 0 | 112.4 | K343 D348 N353 | K343-C351 PolarHBondContact NZ-SG 3.41Å; K343-C351 VanDerWaalsContact NZ-SG 3.44Å; D348-C351 PolarHBondContact O-N 3.2Å; D348-C351 VanDerWaalsContact O-N 3.13Å; C351-N353 PolarHBondContact O-N 3.33Å | ||
| 352 | I | 45 | Very low | 68.4 | Low | 144 Ų | 144 | 77 Ų | 77 | 74% | 0.738 | 40% | 0.4 | S | S | * | . | trans | -56.7 | -11.2 | -167.7 | -73.5 | 161.3 | 0 | 0 | 0 | 117.2 | Y350 N354 | Y350-I352 VanDerWaalsContact C-N 3.34Å; Y350-I352 PolarHBondContact O-N 3.41Å; I352-N354 VanDerWaalsContact C-N 3.31Å; I352-N354 PolarHBondContact O-N 2.88Å | ||
| 353 | N | 52.2 | Low | 68.1 | Low | 95 Ų | 95 | 79 Ų | 79 | 51% | 0.508 | 41% | 0.412 | S | S | . | . | trans | -77.5 | 73.8 | 177.7 | -70.9 | 5.6 | 0 | 0 | 0 | 112.6 | C351 D355 | C351-N353 PolarHBondContact O-N 3.33Å; N353-D355 VanDerWaalsContact C-N 3.27Å; N353-D355 PolarHBondContact O-N 3.11Å | ||
| 354 | N | 58.8 | Low | 67.8 | Low | 121 Ų | 121 | 80.3 Ų | 80.3 | 65% | 0.647 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -63.8 | -23.3 | -177.5 | -76.6 | -29.3 | 0 | 0 | 0 | 114.8 | I352 I356 H357 | I352-N354 VanDerWaalsContact C-N 3.31Å; I352-N354 PolarHBondContact O-N 2.88Å; N354-I356 PolarHBondContact O-N 2.85Å; N354-I356 VanDerWaalsContact O-N 3.13Å; N354-H357 PolarHBondContact O-N 2.81Å |
| 355 | D | 74.3 | Confident | 67.7 | Low | 121 Ų | 121 | 83.3 Ų | 83.3 | 65% | 0.647 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -70.3 | -12.6 | -167.3 | -54.9 | -38.7 | 0 | 0 | 0 | 115.1 | N353 F372 | N353-D355 VanDerWaalsContact C-N 3.27Å; N353-D355 PolarHBondContact O-N 3.11Å; D355-F372 VanDerWaalsContact O-CG 3.28Å; D355-F372 WeakPolarHBondContact O-CG 3.48Å |
| 356 | I | 82.4 | Confident | 68.1 | Low | 8 Ų | 8 | 81.6 Ų | 81.6 | 4% | 0.041 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -119.8 | 19.8 | 179.9 | 59 | 172.3 | 0 | 0 | 0 | 113.5 | R213 Y327 L341 F342 K343 N354 | R213-I356 VanDerWaalsContact NH1-CG2 3.27Å; Y327-I356 HydrophobicContact CD1-CD1 4.44Å; Y327-I356 HydrophobicContact CE1-CD1 4.07Å; L341-I356 HydrophobicContact CD2-CD1 3.81Å; L341-I356 HydrophobicContact CG-CD1 4.32Å; F342-I356 WeakPolarHBondContact CA-O 3.25Å; K343-I356 HydrophobicContact CB-CD1 3.94Å; K343-I356 HydrophobicContact CB-CG1 3.97Å; K343-I356 PolarHBondContact N-O 3.46Å; N354-I356 PolarHBondContact O-N 2.85Å; N354-I356 VanDerWaalsContact O-N 3.13Å |
| 357 | H | 81.1 | Confident | 69.5 | Low | 39 Ų | 39 | 81 Ų | 81 | 18% | 0.181 | 42% | 0.421 | C | S | . | . | trans | -124.1 | 154.3 | -178.3 | -167.7 | 54.3 | 0 | 0 | 0 | 115.1 | K343 S345 N354 E359 F372 | K343-H357 PolarHBondContact O-ND1 3.46Å; S345-H357 PolarHBondContact N-CE1 2.83Å; N354-H357 PolarHBondContact O-N 2.81Å; H357-E359 PolarHBondContact NE2-N 2.86Å; H357-F372 WeakPolarHBondContact O-CE2 3.37Å; H357-F372 VanDerWaalsContact O-CZ 3.24Å; H357-F372 WeakPolarHBondContact O-CZ 3.45Å | ||
| 358 | C | 78.9 | Confident | 71.2 | Confident | 8 Ų | 8 | 76 Ų | 76 | 5% | 0.054 | 39% | 0.387 | C | S | . | . | trans | -154.1 | 116.9 | 177.3 | -143 | 0 | 0 | 0 | 0 | 108.7 | F342 C360 F372 C440 C443 | F342-C358 HydrophobicContact CE2-CB 3.72Å; F342-C358 HydrophobicContact CZ-CB 4.45Å; C358-C360 HydrophobicContact CB-CB 3.87Å; C358-C360 WeakPolarHBondContact CB-SG 3.3Å; C358-C360 PolarHBondContact O-N 2.95Å; C358-C360 WeakPolarHBondContact SG-CB 3.47Å; C358-C360 CovalentContact SG-SG 2.04Å; C358-C360 PolarHBondContact SG-SG 3.22Å; C358-F372 HydrophobicContact CB-CZ 4.46Å; C358-C440 PolarHBondContact SG-SG 2.89Å; C358-C443 HydrophobicContact CB-CB 4.03Å; C358-C443 WeakPolarHBondContact SG-CB 3.26Å | ||
| 359 | E | 78.2 | Confident | 73.2 | Confident | 149 Ų | 149 | 71.4 Ų | 71.4 | 70% | 0.696 | 36% | 0.362 | S | S | * | . | trans | -73.3 | -13.3 | 171.3 | -64.4 | -161.5 | 138.8 | 0 | 0 | 112.7 | H357 | H357-E359 PolarHBondContact NE2-N 2.86Š| ||
| 360 | C | 78.7 | Confident | 75.3 | Confident | 23 Ų | 23 | 60.7 Ų | 60.7 | 16% | 0.155 | 32% | 0.322 | C | S | . | . | trans | -30.3 | 130.5 | 174.6 | -44.9 | 0 | 0 | 0 | 0 | 114.8 | C358 W445 | C358-C360 HydrophobicContact CB-CB 3.87Å; C358-C360 WeakPolarHBondContact CB-SG 3.3Å; C358-C360 PolarHBondContact O-N 2.95Å; C358-C360 WeakPolarHBondContact SG-CB 3.47Å; C358-C360 CovalentContact SG-SG 2.04Å; C358-C360 PolarHBondContact SG-SG 3.22Å; C360-W445 HydrophobicContact CB-CZ2 4.39Å; C360-W445 WeakPolarHBondContact O-CZ2 3.24Å | ||
| 361 | S | 80.6 | Confident | 77.2 | Confident | 74 Ų | 74 | 50.8 Ų | 50.8 | 52% | 0.517 | 28% | 0.283 | S | S | . | . | trans | -71.4 | 150.7 | 172.8 | -72.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 362 | P | 84.5 | Confident | 79.3 | Confident | 45 Ų | 45 | 49.3 Ų | 49.3 | 29% | 0.292 | 27% | 0.271 | S | S | . | . | trans | -60.9 | 128.4 | 174.6 | -17.9 | 29.4 | 0 | 0 | 0 | 110.5 | L364 S367 W445 | P362-L364 PolarHBondContact O-N 3.24Å; P362-S367 WeakPolarHBondContact CB-OG 3.36Å; P362-W445 HydrophobicContact CB-CE3 3.98Å; P362-W445 HydrophobicContact CB-CH2 3.97Å; P362-W445 HydrophobicContact CB-CZ3 3.52Å; P362-W445 HydrophobicContact CG-CH2 3.77Å; P362-W445 HydrophobicContact CG-CZ3 3.63Å | ||
| 363 | P | 85.7 | Confident | 81.6 | Confident | 40 Ų | 40 | 45.3 Ų | 45.3 | 26% | 0.26 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -65.4 | -27.3 | -179.6 | 24.8 | -33.6 | 0 | 0 | 0 | 112.7 | S367 H436 W445 | P363-S367 WeakPolarHBondContact CD-OG 3.22Å; P363-H436 HydrophobicContact CG-CB 4.27Å; P363-W445 VanDerWaalsContact CD-CD2 3.47Å; P363-W445 VanDerWaalsContact CD-CG 3.45Å; P363-W445 HydrophobicContact CG-CB 3.79Å; P363-W445 HydrophobicContact CG-CD2 4.37Å; P363-W445 HydrophobicContact CG-CG 3.85Å |
| 364 | L | 83.9 | Confident | 83.5 | Confident | 53 Ų | 53 | 41 Ų | 41 | 28% | 0.277 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -135.6 | 149.4 | 174.8 | -70.3 | 173.4 | 0 | 0 | 0 | 111.2 | P362 G366 S367 L447 | P362-L364 PolarHBondContact O-N 3.24Å; L364-G366 PolarHBondContact O-N 3.11Å; L364-S367 PolarHBondContact O-N 3.12Å; L364-S367 VanDerWaalsContact O-N 3.09Å; L364-S367 PolarHBondContact O-OG 3.45Å; L364-L447 HydrophobicContact CB-CD2 4.4Å; L364-L447 HydrophobicContact CD1-CD1 3.94Å; L364-L447 HydrophobicContact CD1-CD2 3.98Å |
| 365 | L | 81.5 | Confident | 85.1 | Confident | 67 Ų | 67 | 37.8 Ų | 37.8 | 35% | 0.351 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 107.3 | 176 | 179.4 | 60.4 | 0 | 0 | 0 | 110.3 | V469 V537 | L365-V469 HydrophobicContact CD2-CG2 4.09Å; L365-V469 HydrophobicContact CG-CG2 4.34Å; L365-V537 HydrophobicContact CD2-CG1 4.03Å; L365-V537 HydrophobicContact CD2-CG2 4.06Å |
| 366 | G | 78.6 | Confident | 85.9 | Confident | 14 Ų | 14 | 32.4 Ų | 32.4 | 14% | 0.144 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 111.2 | -5.1 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | L364 H468 | L364-G366 PolarHBondContact O-N 3.11Å; G366-H468 WeakPolarHBondContact CA-CD2 3.27Å; G366-H468 WeakPolarHBondContact CA-ND1 3.44Å |
| 367 | S | 88.9 | Confident | 86.5 | Confident | 9 Ų | 9 | 32.5 Ų | 32.5 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | trans | -69.2 | 144.1 | 175.4 | 62.7 | 0 | 0 | 0 | 0 | 112.4 | P362 P363 L364 F446 | P362-S367 WeakPolarHBondContact CB-OG 3.36Å; P363-S367 WeakPolarHBondContact CD-OG 3.22Å; L364-S367 PolarHBondContact O-N 3.12Å; L364-S367 VanDerWaalsContact O-N 3.09Å; L364-S367 PolarHBondContact O-OG 3.45Å; S367-F446 CarbonylContact C-O 3.44Å; S367-F446 WeakPolarHBondContact CA-O 3.44Å; S367-F446 VanDerWaalsContact CB-O 3.25Å; S367-F446 WeakPolarHBondContact CB-O 3.22Å | ||
| 368 | S | 90.1 | Very high | 87.1 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 136.6 | 179.4 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | F311 L370 W445 F446 | F311-S368 PolarHBondContact N-OG 3.37Å; F311-S368 PolarHBondContact O-OG 2.83Å; S368-L370 PolarHBondContact O-N 3.13Å; S368-W445 CarbonylContact O-C 3.57Å; S368-W445 WeakPolarHBondContact O-CA 3.11Å; S368-F446 PolarHBondContact N-O 3.1Å; S368-F446 PolarHBondContact O-N 3.37Å |
| 369 | P | 91.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 118.3 | -177.7 | 29.6 | -32.2 | 0 | 0 | 0 | 110.1 | L313 N328 F342 G371 W445 | L313-P369 HydrophobicContact CD2-CG 4.21Å; N328-P369 PolarHBondContact ND2-O 3.42Å; F342-P369 HydrophobicContact CD1-CB 4.12Å; F342-P369 HydrophobicContact CD1-CG 3.72Å; F342-P369 HydrophobicContact CD2-CB 4.15Å; F342-P369 HydrophobicContact CE1-CB 4.14Å; F342-P369 HydrophobicContact CE1-CG 3.66Å; F342-P369 HydrophobicContact CE2-CB 4.16Å; F342-P369 HydrophobicContact CG-CB 4.13Å; F342-P369 HydrophobicContact CG-CG 4.22Å; F342-P369 HydrophobicContact CZ-CB 4.15Å; F342-P369 HydrophobicContact CZ-CG 4.1Å; P369-G371 VanDerWaalsContact C-N 3.34Å; P369-W445 HydrophobicContact CB-CD2 4.05Å; P369-W445 HydrophobicContact CB-CE3 4.03Å; P369-W445 HydrophobicContact CB-CH2 4.02Å; P369-W445 HydrophobicContact CB-CZ2 4.03Å; P369-W445 HydrophobicContact CB-CZ3 4.02Å; P369-W445 HydrophobicContact CG-CE3 4.46Å; P369-W445 HydrophobicContact CG-CH2 4.2Å; P369-W445 HydrophobicContact CG-CZ3 4.08Å |
| 370 | L | 91.6 | Very high | 88.6 | Confident | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -28.1 | 172.5 | -63.5 | -172.9 | 0 | 0 | 0 | 111.5 | Y330 S340 S368 L392 V435 L444 F446 | Y330-L370 HydrophobicContact CD1-CD1 4.11Å; Y330-L370 HydrophobicContact CD1-CD2 4.02Å; Y330-L370 HydrophobicContact CD1-CG 4.46Å; Y330-L370 HydrophobicContact CD2-CD2 3.69Å; Y330-L370 HydrophobicContact CE1-CD1 4.06Å; Y330-L370 HydrophobicContact CE2-CD2 4.32Å; Y330-L370 HydrophobicContact CG-CD1 4.41Å; Y330-L370 HydrophobicContact CG-CD2 3.53Å; Y330-L370 HydrophobicContact CG-CG 4.42Å; S340-L370 WeakPolarHBondContact CB-O 3.49Å; S340-L370 PolarHBondContact OG-O 2.94Å; S368-L370 PolarHBondContact O-N 3.13Å; L370-L392 HydrophobicContact CD1-CD2 3.76Å; L370-V435 HydrophobicContact CD1-CG1 3.67Å; L370-L444 HydrophobicContact CB-CB 4.35Å; L370-L444 PolarHBondContact N-O 2.77Å; L370-F446 HydrophobicContact CD1-CB 4.23Å; L370-F446 HydrophobicContact CD2-CB 3.69Å; L370-F446 HydrophobicContact CG-CB 3.9Å |
| 371 | G | 88.3 | Confident | 89.3 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 86.6 | -130.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P369 L444 | P369-G371 VanDerWaalsContact C-N 3.34Å; G371-L444 PolarHBondContact O-N 2.84Å |
| 372 | F | 90.1 | Very high | 90 | Very high | 18 Ų | 18 | 30.1 Ų | 30.1 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 152.4 | -163.8 | -56.3 | -98.2 | 0 | 0 | 0 | 110.1 | S340 L341 F342 D355 H357 C358 R442 C443 | S340-F372 CarbonylContact C-O 3.57Å; S340-F372 WeakPolarHBondContact CA-O 3.42Å; S340-F372 VanDerWaalsContact CB-O 3.25Å; S340-F372 WeakPolarHBondContact CB-O 3.43Å; L341-F372 PolarHBondContact N-O 2.74Å; L341-F372 PolarHBondContact O-N 3.38Å; L341-F372 VanDerWaalsContact O-N 3.1Å; F342-F372 HydrophobicContact CD2-CE2 4.35Å; D355-F372 VanDerWaalsContact O-CG 3.28Å; D355-F372 WeakPolarHBondContact O-CG 3.48Å; H357-F372 WeakPolarHBondContact O-CE2 3.37Å; H357-F372 VanDerWaalsContact O-CZ 3.24Å; H357-F372 WeakPolarHBondContact O-CZ 3.45Å; C358-F372 HydrophobicContact CB-CZ 4.46Å; F372-R442 HydrophobicContact CE1-CB 4.01Å; F372-C443 HydrophobicContact CE1-CB 4.36Å; F372-C443 HydrophobicContact CE2-CB 4.16Å; F372-C443 HydrophobicContact CZ-CB 3.86Å |
| 373 | P | 92.8 | Very high | 90.4 | Very high | 60 Ų | 60 | 33.3 Ų | 33.3 | 39% | 0.39 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 142.1 | -177.8 | -21.6 | 31.2 | 0 | 0 | 0 | 113.4 | T377 F379 | P373-T377 WeakPolarHBondContact CB-O 3.22Å; P373-F379 HydrophobicContact CB-CD1 4.48Å; P373-F379 HydrophobicContact CB-CE1 4.01Å; P373-F379 HydrophobicContact CB-CZ 4.07Å; P373-F379 HydrophobicContact CG-CD1 4.12Å; P373-F379 HydrophobicContact CG-CD2 3.93Å; P373-F379 HydrophobicContact CG-CE1 3.87Å; P373-F379 HydrophobicContact CG-CE2 3.69Å; P373-F379 HydrophobicContact CG-CG 4.13Å; P373-F379 HydrophobicContact CG-CZ 3.64Å |
| 374 | M | 93.4 | Very high | 90.5 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -85.5 | 166.5 | 166.8 | -72.9 | 179.2 | 65.6 | 0 | 0 | 111.3 | D209 L210 I329 W338 A339 L341 G376 T377 | D209-M374 HydrophobicContact CB-CE 4.29Å; D209-M374 VanDerWaalsContact OD2-CA 3.26Å; D209-M374 WeakPolarHBondContact OD2-CA 3.07Å; D209-M374 VanDerWaalsContact OD2-CB 3.27Å; D209-M374 WeakPolarHBondContact OD2-CB 3.46Å; L210-M374 HydrophobicContact CD1-CE 4.32Å; L210-M374 HydrophobicContact CD2-CE 3.87Å; L210-M374 HydrophobicContact CG-CE 3.83Å; I329-M374 HydrophobicContact CD1-CE 4.43Å; I329-M374 HydrophobicContact CD1-SD 4.08Å; I329-M374 HydrophobicContact CG1-SD 4.17Å; W338-M374 HydrophobicContact CB-CE 4.24Å; W338-M374 HydrophobicContact CB-SD 3.67Å; A339-M374 PolarHBondContact O-N 2.75Å; L341-M374 HydrophobicContact CB-CG 4.01Å; L341-M374 HydrophobicContact CB-SD 4.19Å; M374-G376 PolarHBondContact O-N 3.2Å; M374-T377 VanDerWaalsContact O-CB 3.32Å; M374-T377 WeakPolarHBondContact O-CB 3.43Å; M374-T377 PolarHBondContact O-N 3.03Å |
| 375 | L | 92.9 | Very high | 90.4 | Very high | 53 Ų | 53 | 37.6 Ų | 37.6 | 28% | 0.277 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | 128.3 | -177.8 | -175.9 | 62.3 | 0 | 0 | 0 | 112.6 | W5 A205 I208 D209 T377 R396 | W5-L375 HydrophobicContact CB-CD2 3.85Å; W5-L375 HydrophobicContact CD2-CD1 4.49Å; W5-L375 HydrophobicContact CD2-CD2 4.04Å; W5-L375 HydrophobicContact CD2-CG 4.14Å; W5-L375 HydrophobicContact CE3-CD1 3.99Å; W5-L375 HydrophobicContact CE3-CD2 4.33Å; W5-L375 HydrophobicContact CE3-CG 4.12Å; W5-L375 HydrophobicContact CG-CD2 3.85Å; W5-L375 HydrophobicContact CG-CG 4.47Å; W5-L375 HydrophobicContact CZ3-CD1 4.26Å; W5-L375 HydrophobicContact CZ3-CG 4.49Å; A205-L375 HydrophobicContact CB-CB 4.27Å; A205-L375 HydrophobicContact CB-CD2 4.17Å; A205-L375 HydrophobicContact CB-CG 4.05Å; A205-L375 WeakPolarHBondContact CB-O 3.32Å; I208-L375 HydrophobicContact CB-CD2 4.38Å; I208-L375 HydrophobicContact CG2-CD2 4.09Å; D209-L375 HydrophobicContact CB-CB 3.62Å; D209-L375 HydrophobicContact CB-CD2 4.39Å; D209-L375 PolarHBondContact OD2-N 2.98Å; L375-T377 PolarHBondContact O-N 3.08Å; L375-R396 PolarHBondContact O-NH1 3.34Å; L375-R396 PolarHBondContact O-NH2 3.39Å |
| 376 | G | 90.8 | Very high | 90.4 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 8% | 0.082 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | 2.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | M374 R396 Q397 | M374-G376 PolarHBondContact O-N 3.2Å; G376-R396 CarbonylContact O-C 3.55Å; G376-R396 VanDerWaalsContact O-CA 3.29Å; G376-R396 WeakPolarHBondContact O-CA 3.35Å; G376-R396 PolarHBondContact O-NH1 3.38Å; G376-Q397 PolarHBondContact O-N 2.8Å |
| 377 | T | 93.6 | Very high | 90.6 | Very high | 11 Ų | 11 | 45 Ų | 45 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 137.4 | 174.6 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | A339 P373 M374 L375 F379 L394 S395 R396 | A339-T377 HydrophobicContact CB-CG2 3.98Å; A339-T377 WeakPolarHBondContact O-CG2 3.5Å; A339-T377 PolarHBondContact O-OG1 2.87Å; P373-T377 WeakPolarHBondContact CB-O 3.22Å; M374-T377 VanDerWaalsContact O-CB 3.32Å; M374-T377 WeakPolarHBondContact O-CB 3.43Å; M374-T377 PolarHBondContact O-N 3.03Å; L375-T377 PolarHBondContact O-N 3.08Å; T377-F379 HydrophobicContact CG2-CD1 4.07Å; T377-F379 HydrophobicContact CG2-CE1 4Å; T377-L394 HydrophobicContact CG2-CD2 4.39Å; T377-S395 WeakPolarHBondContact CA-O 3.3Å; T377-R396 VanDerWaalsContact N-NH1 3.18Å; T377-R396 PolarHBondContact OG1-NH1 3.31Å |
| 378 | S | 94 | Very high | 90.5 | Very high | 63 Ų | 63 | 48.6 Ų | 48.6 | 44% | 0.441 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 142.3 | 163.5 | -71.4 | 0 | 0 | 0 | 0 | 110.9 | S395 | S378-S395 PolarHBondContact N-O 3.03Å; S378-S395 PolarHBondContact O-N 3.14Å |
| 379 | F | 93.8 | Very high | 90.6 | Very high | 45 Ų | 45 | 49.1 Ų | 49.1 | 20% | 0.197 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 143.7 | 169.1 | -58.8 | -14.7 | 0 | 0 | 0 | 109.7 | P373 T377 L392 L394 L444 | P373-F379 HydrophobicContact CB-CD1 4.48Å; P373-F379 HydrophobicContact CB-CE1 4.01Å; P373-F379 HydrophobicContact CB-CZ 4.07Å; P373-F379 HydrophobicContact CG-CD1 4.12Å; P373-F379 HydrophobicContact CG-CD2 3.93Å; P373-F379 HydrophobicContact CG-CE1 3.87Å; P373-F379 HydrophobicContact CG-CE2 3.69Å; P373-F379 HydrophobicContact CG-CG 4.13Å; P373-F379 HydrophobicContact CG-CZ 3.64Å; T377-F379 HydrophobicContact CG2-CD1 4.07Å; T377-F379 HydrophobicContact CG2-CE1 4Å; F379-L392 HydrophobicContact CB-CD1 4.08Å; F379-L392 HydrophobicContact CG-CD1 4.25Å; F379-L394 HydrophobicContact CD1-CD2 3.52Å; F379-L394 HydrophobicContact CE1-CD2 3.99Å; F379-L394 HydrophobicContact CG-CD2 4.48Å; F379-L444 HydrophobicContact CD2-CD1 3.5Å; F379-L444 HydrophobicContact CD2-CG 4.32Å; F379-L444 HydrophobicContact CE2-CD1 3.94Å; F379-L444 HydrophobicContact CG-CD1 4.2Å |
| 380 | S | 94.3 | Very high | 90.7 | Very high | 35 Ų | 35 | 52.4 Ų | 52.4 | 25% | 0.245 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 144.2 | 168.5 | -66.4 | 0 | 0 | 0 | 0 | 108.6 | G393 I428 | S380-G393 PolarHBondContact N-O 2.86Å; S380-G393 WeakPolarHBondContact O-CA 3.48Å; S380-G393 PolarHBondContact O-N 3.21Å; S380-I428 WeakPolarHBondContact OG-CD1 3.47Å |
| 381 | L | 94.6 | Very high | 90.9 | Very high | 49 Ų | 49 | 52.6 Ų | 52.6 | 26% | 0.257 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 108 | 179.7 | -65.7 | -171.9 | 0 | 0 | 0 | 110.2 | W390 L392 V435 Y437 L444 | L381-W390 HydrophobicContact CB-CB 3.89Å; L381-W390 HydrophobicContact CB-CG 3.8Å; L381-W390 HydrophobicContact CD1-CB 4.41Å; L381-W390 HydrophobicContact CD1-CD2 3.96Å; L381-W390 HydrophobicContact CD1-CE3 4.26Å; L381-W390 HydrophobicContact CD1-CG 4.02Å; L381-W390 HydrophobicContact CD2-CB 4.01Å; L381-W390 HydrophobicContact CD2-CG 4.49Å; L381-W390 HydrophobicContact CG-CB 4.32Å; L381-W390 HydrophobicContact CG-CG 4.33Å; L381-L392 HydrophobicContact CD2-CD1 4.22Å; L381-V435 HydrophobicContact CD2-CG2 3.75Å; L381-Y437 HydrophobicContact CD1-CD2 4.17Å; L381-Y437 HydrophobicContact CD1-CE2 3.35Å; L381-L444 HydrophobicContact CD1-CD2 4.48Å; L381-L444 HydrophobicContact CD2-CD1 4.16Å; L381-L444 HydrophobicContact CD2-CD2 4.17Å |
| 382 | I | 95.1 | Very high | 91.2 | Very high | 51 Ų | 51 | 52.6 Ų | 52.6 | 26% | 0.262 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 128.8 | 179.4 | -57.4 | 172.8 | 0 | 0 | 0 | 107.5 | W390 E391 I428 P430 | I382-W390 CarbonylContact O-C 3.57Å; I382-W390 WeakPolarHBondContact O-CA 3.5Å; I382-E391 HydrophobicContact CB-CB 4.12Å; I382-E391 WeakPolarHBondContact CB-O 3.35Å; I382-E391 PolarHBondContact N-O 2.94Å; I382-E391 PolarHBondContact O-N 3.16Å; I382-I428 HydrophobicContact CD1-CG2 4.46Å; I382-P430 HydrophobicContact CD1-CB 3.73Å |
| 383 | P | 92.3 | Very high | 91.5 | Very high | 111 Ų | 111 | 51.8 Ų | 51.8 | 72% | 0.721 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 140.1 | 178.8 | -27 | 35.5 | 0 | 0 | 0 | 112.9 | ||
| 384 | S | 87.7 | Confident | 91.6 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 21% | 0.21 | 27% | 0.265 | C | S | . | . | trans | -117.6 | 166 | 172.5 | 94.4 | 0 | 0 | 0 | 0 | 111.4 | M386 V389 | S384-M386 PolarHBondContact O-N 3.21Å; S384-M386 VanDerWaalsContact O-N 3.11Å; S384-M386 PolarHBondContact OG-N 2.65Å; S384-M386 PolarHBondContact OG-O 2.99Å; S384-V389 VanDerWaalsContact CB-O 3.3Å; S384-V389 WeakPolarHBondContact CB-O 3.42Å; S384-V389 PolarHBondContact OG-O 2.9Å | ||
| 385 | N | 83.2 | Confident | 91.6 | Very high | 154 Ų | 154 | 49.5 Ų | 49.5 | 82% | 0.824 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -73.3 | 6.6 | 177.9 | -58.5 | 47 | 0 | 0 | 0 | 113.7 | ||
| 386 | M | 81.6 | Confident | 91.5 | Very high | 62 Ų | 62 | 47.2 Ų | 47.2 | 31% | 0.305 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -118.2 | 132.7 | 179.2 | -70.6 | -176 | -68.3 | 0 | 0 | 110.5 | S384 N388 V389 L434 | S384-M386 PolarHBondContact O-N 3.21Å; S384-M386 VanDerWaalsContact O-N 3.11Å; S384-M386 PolarHBondContact OG-N 2.65Å; S384-M386 PolarHBondContact OG-O 2.99Å; M386-N388 PolarHBondContact O-N 3.2Å; M386-V389 HydrophobicContact CB-CB 3.97Å; M386-V389 HydrophobicContact CB-CG2 4.19Å; M386-V389 HydrophobicContact CE-CG1 4.18Å; M386-V389 PolarHBondContact O-N 3.1Å; M386-V389 VanDerWaalsContact O-N 3.14Å; M386-L434 HydrophobicContact CE-CD1 3.83Å; M386-L434 HydrophobicContact CE-CD2 4.47Å |
| 387 | E | 82.6 | Confident | 91.4 | Very high | 173 Ų | 173 | 51.3 Ų | 51.3 | 81% | 0.808 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 132.9 | -178.7 | -159.2 | -161.2 | 140 | 0 | 0 | 111.8 | V389 | E387-V389 PolarHBondContact O-N 2.7Å; E387-V389 VanDerWaalsContact O-N 3.1Å |
| 388 | N | 86.1 | Confident | 90.9 | Very high | 86 Ų | 86 | 54.2 Ų | 54.2 | 46% | 0.46 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 22 | -177 | -56.3 | -60.8 | 0 | 0 | 0 | 114.9 | M386 W390 H436 | M386-N388 PolarHBondContact O-N 3.2Å; N388-W390 HydrophobicContact CB-CH2 4.34Å; N388-W390 WeakPolarHBondContact O-CZ3 3.32Å; N388-H436 PolarHBondContact O-CD2 3.5Å |
| 389 | V | 91.4 | Very high | 90.3 | Very high | 13 Ų | 13 | 51.2 Ų | 51.2 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | trans | -120.5 | 133.9 | 172.5 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | S384 M386 E387 L434 L447 | S384-V389 VanDerWaalsContact CB-O 3.3Å; S384-V389 WeakPolarHBondContact CB-O 3.42Å; S384-V389 PolarHBondContact OG-O 2.9Å; M386-V389 HydrophobicContact CB-CB 3.97Å; M386-V389 HydrophobicContact CB-CG2 4.19Å; M386-V389 HydrophobicContact CE-CG1 4.18Å; M386-V389 PolarHBondContact O-N 3.1Å; M386-V389 VanDerWaalsContact O-N 3.14Å; E387-V389 PolarHBondContact O-N 2.7Å; E387-V389 VanDerWaalsContact O-N 3.1Å; V389-L434 HydrophobicContact CG1-CB 3.96Å; V389-L434 HydrophobicContact CG1-CD2 4.22Å; V389-L447 HydrophobicContact CB-CD1 4.38Å; V389-L447 HydrophobicContact CG1-CD1 3.85Å; V389-L447 HydrophobicContact CG2-CD1 3.63Å | ||
| 390 | W | 94.6 | Very high | 89.8 | Confident | 69 Ų | 69 | 49 Ų | 49 | 26% | 0.261 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 153.7 | 179.2 | -59.2 | -89.5 | 0 | 0 | 0 | 110.6 | L381 I382 N388 L434 V435 Y437 | L381-W390 HydrophobicContact CB-CB 3.89Å; L381-W390 HydrophobicContact CB-CG 3.8Å; L381-W390 HydrophobicContact CD1-CB 4.41Å; L381-W390 HydrophobicContact CD1-CD2 3.96Å; L381-W390 HydrophobicContact CD1-CE3 4.26Å; L381-W390 HydrophobicContact CD1-CG 4.02Å; L381-W390 HydrophobicContact CD2-CB 4.01Å; L381-W390 HydrophobicContact CD2-CG 4.49Å; L381-W390 HydrophobicContact CG-CB 4.32Å; L381-W390 HydrophobicContact CG-CG 4.33Å; I382-W390 CarbonylContact O-C 3.57Å; I382-W390 WeakPolarHBondContact O-CA 3.5Å; N388-W390 HydrophobicContact CB-CH2 4.34Å; N388-W390 WeakPolarHBondContact O-CZ3 3.32Å; W390-L434 CarbonylContact O-C 3.54Å; W390-L434 WeakPolarHBondContact O-CA 3.45Å; W390-V435 HydrophobicContact CB-CG2 4.2Å; W390-V435 PolarHBondContact N-O 2.97Å; W390-V435 PolarHBondContact O-N 3.21Å; W390-Y437 HydrophobicContact CZ3-CD2 4.36Å |
| 391 | E | 95 | Very high | 89.6 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 131.6 | 161.7 | 171.7 | 168.3 | -164.2 | 0 | 0 | 108.6 | I382 G393 S432 D433 K450 | I382-E391 HydrophobicContact CB-CB 4.12Å; I382-E391 WeakPolarHBondContact CB-O 3.35Å; I382-E391 PolarHBondContact N-O 2.94Å; I382-E391 PolarHBondContact O-N 3.16Å; E391-G393 PolarHBondContact O-N 3.07Å; E391-S432 WeakPolarHBondContact OE1-CA 3.43Å; E391-S432 WeakPolarHBondContact OE1-CB 3.47Å; E391-S432 PolarHBondContact OE1-N 3.32Å; E391-S432 VanDerWaalsContact OE1-N 3.09Å; E391-S432 PolarHBondContact OE1-OG 3Å; E391-D433 WeakPolarHBondContact CA-O 3.44Å; E391-K450 IonicContact OE1-NZ 3.99Å; E391-K450 WeakPolarHBondContact OE2-CD 3.45Å; E391-K450 WeakPolarHBondContact OE2-CE 3.42Å; E391-K450 IonicContact OE2-NZ 2.76Å; E391-K450 PolarHBondContact OE2-NZ 3.07Å |
| 392 | L | 95.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 117.4 | -179.1 | -176.7 | 54.1 | 0 | 0 | 0 | 110.3 | Y330 L370 F379 L381 L394 T431 D433 V435 L444 | Y330-L392 HydrophobicContact CE1-CD2 3.65Å; L370-L392 HydrophobicContact CD1-CD2 3.76Å; F379-L392 HydrophobicContact CB-CD1 4.08Å; F379-L392 HydrophobicContact CG-CD1 4.25Å; L381-L392 HydrophobicContact CD2-CD1 4.22Å; L392-L394 HydrophobicContact CD1-CD2 4.03Å; L392-L394 HydrophobicContact CD2-CD2 4.04Å; L392-L394 HydrophobicContact CD2-CG 4.49Å; L392-L394 HydrophobicContact CG-CD2 3.88Å; L392-L394 HydrophobicContact CG-CG 4.13Å; L392-T431 PolarHBondContact O-N 3.2Å; L392-T431 PolarHBondContact O-OG1 3.41Å; L392-D433 PolarHBondContact N-O 3.4Å; L392-V435 HydrophobicContact CB-CG1 4.04Å; L392-V435 HydrophobicContact CB-CG2 4.13Å; L392-V435 HydrophobicContact CD2-CG1 4.2Å; L392-L444 HydrophobicContact CD1-CD1 3.8Å; L392-L444 HydrophobicContact CD2-CD1 4.47Å |
| 393 | G | 95.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 138.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | S380 E391 W429 | S380-G393 PolarHBondContact N-O 2.86Å; S380-G393 WeakPolarHBondContact O-CA 3.48Å; S380-G393 PolarHBondContact O-N 3.21Å; E391-G393 PolarHBondContact O-N 3.07Å; G393-W429 CarbonylContact C-O 3.59Å; G393-W429 WeakPolarHBondContact CA-O 3.35Å |
| 394 | L | 95 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.4 | 176.9 | -63.6 | 176.9 | 0 | 0 | 0 | 110.3 | Y330 V335 A339 T377 F379 L392 W429 T431 | Y330-L394 HydrophobicContact CE1-CD1 4.05Å; V335-L394 HydrophobicContact CG1-CB 3.86Å; V335-L394 HydrophobicContact CG2-CB 4.32Å; V335-L394 HydrophobicContact CG2-CD1 3.73Å; A339-L394 HydrophobicContact CB-CD1 3.71Å; A339-L394 HydrophobicContact CB-CD2 4.12Å; T377-L394 HydrophobicContact CG2-CD2 4.39Å; F379-L394 HydrophobicContact CD1-CD2 3.52Å; F379-L394 HydrophobicContact CE1-CD2 3.99Å; F379-L394 HydrophobicContact CG-CD2 4.48Å; L392-L394 HydrophobicContact CD1-CD2 4.03Å; L392-L394 HydrophobicContact CD2-CD2 4.04Å; L392-L394 HydrophobicContact CD2-CG 4.49Å; L392-L394 HydrophobicContact CG-CD2 3.88Å; L392-L394 HydrophobicContact CG-CG 4.13Å; L394-W429 PolarHBondContact N-O 3.46Å; L394-W429 PolarHBondContact O-N 3.24Å; L394-T431 HydrophobicContact CB-CG2 4.42Å; L394-T431 HydrophobicContact CD1-CG2 3.47Å; L394-T431 VanDerWaalsContact CD1-CG2 3.47Å; L394-T431 HydrophobicContact CG-CG2 3.76Å |
| 395 | S | 93.4 | Very high | 89.2 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 13% | 0.126 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 163.5 | 171.6 | 62.8 | 0 | 0 | 0 | 0 | 111.5 | T377 S378 | T377-S395 WeakPolarHBondContact CA-O 3.3Å; S378-S395 PolarHBondContact N-O 3.03Å; S378-S395 PolarHBondContact O-N 3.14Å |
| 396 | R | 90.9 | Very high | 89 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 134.2 | -176.6 | -61.6 | -70.1 | -70.9 | 151 | 3.2 | 109.1 | C202 A205 V335 L375 G376 T377 Y398 G399 F401 | C202-R396 PolarHBondContact O-NH2 3.07Å; A205-R396 VanDerWaalsContact CB-NH2 3.25Å; V335-R396 HydrophobicContact CB-CG 4.39Å; L375-R396 PolarHBondContact O-NH1 3.34Å; L375-R396 PolarHBondContact O-NH2 3.39Å; G376-R396 CarbonylContact O-C 3.55Å; G376-R396 VanDerWaalsContact O-CA 3.29Å; G376-R396 WeakPolarHBondContact O-CA 3.35Å; G376-R396 PolarHBondContact O-NH1 3.38Å; T377-R396 VanDerWaalsContact N-NH1 3.18Å; T377-R396 PolarHBondContact OG1-NH1 3.31Å; R396-Y398 VanDerWaalsContact C-N 3.26Å; R396-Y398 PolarHBondContact O-N 3.32Å; R396-Y398 VanDerWaalsContact O-N 3.14Å; R396-G399 WeakPolarHBondContact CB-O 3.29Å; R396-G399 PolarHBondContact O-N 2.94Å; R396-F401 HydrophobicContact CB-CD1 4.46Å; R396-F401 HydrophobicContact CB-CE1 4.22Å; R396-F401 HydrophobicContact CG-CD1 4.04Å; R396-F401 HydrophobicContact CG-CE1 3.87Å |
| 397 | Q | 88.2 | Confident | 88.8 | Confident | 94 Ų | 94 | 46.8 Ų | 46.8 | 44% | 0.439 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -25.6 | -167.1 | 177.2 | 177.1 | -10.4 | 0 | 0 | 115.4 | W5 G376 Q426 | W5-Q397 HydrophobicContact CH2-CB 4.14Å; W5-Q397 HydrophobicContact CH2-CG 4.33Å; G376-Q397 PolarHBondContact O-N 2.8Å; Q397-Q426 VanDerWaalsContact O-CD 3.23Å; Q397-Q426 PolarHBondContact O-NE2 2.69Å; Q397-Q426 VanDerWaalsContact O-NE2 3.12Å; Q397-Q426 PolarHBondContact O-OE1 3.19Å |
| 398 | Y | 84 | Confident | 88.6 | Confident | 71 Ų | 71 | 45.2 Ų | 45.2 | 28% | 0.278 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | 14.9 | 176 | -63.5 | -57.4 | 0 | 0 | 0 | 112.8 | W5 P6 R396 | W5-Y398 HydrophobicContact CD2-CE2 4.46Å; W5-Y398 AromaticContact CE2-CE2 3.99Å; W5-Y398 HydrophobicContact CE3-CE2 4.32Å; W5-Y398 AromaticContact CH2-CD2 3.71Å; W5-Y398 HydrophobicContact CH2-CD2 3.71Å; W5-Y398 AromaticContact CH2-CE2 3.31Å; W5-Y398 HydrophobicContact CH2-CE2 3.31Å; W5-Y398 AromaticContact CZ2-CD2 3.51Å; W5-Y398 HydrophobicContact CZ2-CD2 3.51Å; W5-Y398 AromaticContact CZ2-CE2 3.42Å; W5-Y398 HydrophobicContact CZ2-CE2 3.42Å; W5-Y398 VanDerWaalsContact CZ2-CE2 3.42Å; W5-Y398 AromaticContact CZ3-CE2 3.78Å; W5-Y398 HydrophobicContact CZ3-CE2 3.78Å; P6-Y398 HydrophobicContact CB-CE2 4.03Å; P6-Y398 HydrophobicContact CG-CE2 4.21Å; R396-Y398 VanDerWaalsContact C-N 3.26Å; R396-Y398 PolarHBondContact O-N 3.32Å; R396-Y398 VanDerWaalsContact O-N 3.14Å |
| 399 | G | 81.5 | Confident | 88.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | 66.8 | -137.8 | -159.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | C202 R396 S425 | C202-G399 PolarHBondContact SG-O 3.04Å; R396-G399 WeakPolarHBondContact CB-O 3.29Å; R396-G399 PolarHBondContact O-N 2.94Å; G399-S425 WeakPolarHBondContact CA-O 3.4Å | ||
| 400 | G | 83.3 | Confident | 88 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | 112.2 | 23.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A199 C202 L423 | A199-G400 PolarHBondContact N-O 3.01Å; C202-G400 VanDerWaalsContact SG-C 3.57Å; C202-G400 VanDerWaalsContact SG-CA 3.59Å; C202-G400 PolarHBondContact SG-O 3.48Å; G400-L423 WeakPolarHBondContact CA-O 3.33Å; G400-L423 PolarHBondContact N-O 3.21Å | ||
| 401 | F | 90.4 | Very high | 87.6 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 152 | 173.2 | 63.2 | -92.3 | 0 | 0 | 0 | 112.8 | C197 E334 V335 R396 S427 W429 | C197-F401 CarbonylContact O-C 3.54Å; C197-F401 VanDerWaalsContact O-CA 3.24Å; C197-F401 WeakPolarHBondContact O-CA 3.42Å; E334-F401 WeakPolarHBondContact O-CB 3.27Å; E334-F401 WeakPolarHBondContact O-CD2 3.49Å; E334-F401 WeakPolarHBondContact O-CG 3.47Å; V335-F401 HydrophobicContact CG1-CD1 4.46Å; V335-F401 HydrophobicContact CG1-CE1 3.99Å; V335-F401 HydrophobicContact CG1-CZ 4.02Å; R396-F401 HydrophobicContact CB-CD1 4.46Å; R396-F401 HydrophobicContact CB-CE1 4.22Å; R396-F401 HydrophobicContact CG-CD1 4.04Å; R396-F401 HydrophobicContact CG-CE1 3.87Å; F401-S427 WeakPolarHBondContact CZ-O 3.5Å; F401-W429 HydrophobicContact CE2-CB 3.94Å; F401-W429 HydrophobicContact CZ-CB 3.99Å |
| 402 | Y | 92 | Very high | 87.2 | Confident | 63 Ų | 63 | 45.5 Ų | 45.5 | 25% | 0.247 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 157 | 168.5 | -172.1 | -97.8 | 0 | 0 | 0 | 111.5 | C197 L404 Y418 A419 Q422 | C197-Y402 PolarHBondContact N-O 2.87Å; C197-Y402 PolarHBondContact O-N 3.31Å; Y402-L404 HydrophobicContact CD1-CG 4.27Å; Y402-L404 HydrophobicContact CE1-CD2 4.15Å; Y402-L404 HydrophobicContact CE1-CG 4.21Å; Y402-Y418 HydrophobicContact CE2-CE1 4.41Å; Y402-Y418 AromaticContact CZ-CE1 3.99Å; Y402-Y418 WeakPolarHBondContact OH-CE1 3.18Å; Y402-A419 VanDerWaalsContact CD1-CA 3.49Å; Y402-A419 HydrophobicContact CD1-CB 3.36Å; Y402-A419 HydrophobicContact CE1-CB 3.89Å; Y402-A419 HydrophobicContact CG-CB 4.19Å; Y402-Q422 HydrophobicContact CD2-CB 3.35Å; Y402-Q422 HydrophobicContact CD2-CG 3.93Å; Y402-Q422 HydrophobicContact CE2-CB 3.8Å; Y402-Q422 HydrophobicContact CE2-CG 3.81Å; Y402-Q422 HydrophobicContact CG-CB 3.95Å |
| 403 | I | 91.7 | Very high | 86.5 | Confident | 12 Ų | 12 | 47.3 Ų | 47.3 | 6% | 0.062 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 103.1 | -173 | -56.2 | 160.2 | 0 | 0 | 0 | 110.5 | K194 L195 E334 W429 | K194-I403 HydrophobicContact CB-CG2 3.93Å; K194-I403 HydrophobicContact CD-CG2 3.99Å; K194-I403 HydrophobicContact CG-CG2 4.21Å; L195-I403 CarbonylContact O-C 3.57Å; L195-I403 WeakPolarHBondContact O-CA 3.29Å; E334-I403 HydrophobicContact CB-CD1 3.94Å; E334-I403 HydrophobicContact CB-CG1 4.41Å; E334-I403 HydrophobicContact CG-CD1 3.61Å; E334-I403 HydrophobicContact CG-CG1 4.09Å; I403-W429 HydrophobicContact CD1-CD2 3.82Å; I403-W429 HydrophobicContact CD1-CE3 3.36Å; I403-W429 HydrophobicContact CD1-CH2 3.5Å; I403-W429 HydrophobicContact CD1-CZ2 3.9Å; I403-W429 HydrophobicContact CD1-CZ3 3.21Å |
| 404 | L | 90.5 | Very high | 85.9 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 133.6 | 171.5 | -79.2 | 167.6 | 0 | 0 | 0 | 110.7 | K194 L195 Y402 I411 E415 F416 A419 | K194-L404 CarbonylContact C-O 3.56Å; K194-L404 WeakPolarHBondContact CA-O 3.24Å; L195-L404 HydrophobicContact CB-CB 4.14Å; L195-L404 PolarHBondContact N-O 2.94Å; L195-L404 PolarHBondContact O-N 2.9Å; Y402-L404 HydrophobicContact CD1-CG 4.27Å; Y402-L404 HydrophobicContact CE1-CD2 4.15Å; Y402-L404 HydrophobicContact CE1-CG 4.21Å; L404-I411 HydrophobicContact CB-CD1 4.21Å; L404-I411 HydrophobicContact CD1-CD1 4.32Å; L404-I411 HydrophobicContact CD1-CG2 4.14Å; L404-I411 HydrophobicContact CD2-CD1 4.46Å; L404-E415 HydrophobicContact CD2-CB 4.02Å; L404-F416 HydrophobicContact CD1-CD2 4.13Å; L404-A419 HydrophobicContact CD1-CB 3.76Å; L404-A419 HydrophobicContact CD2-CB 4.04Å; L404-A419 HydrophobicContact CG-CB 3.77Å |
| 405 | R | 87.3 | Confident | 85.5 | Confident | 131 Ų | 131 | 55.5 Ų | 55.5 | 49% | 0.494 | 27% | 0.265 | S | S | . | . | trans | -115.5 | 97.2 | 170.2 | -68.7 | 175.1 | -174.9 | 75 | -7.2 | 107.1 | K194 K407 | K194-R405 HydrophobicContact CB-CG 4.38Å; R405-K407 PolarHBondContact O-N 3.38Å | ||
| 406 | P | 77.9 | Confident | 85.3 | Confident | 36 Ų | 36 | 54.9 Ų | 54.9 | 23% | 0.234 | 26% | 0.26 | C | S | . | . | trans | -58.7 | 125.2 | 179.2 | 22.1 | -31.9 | 0 | 0 | 0 | 110.2 | T109 I411 | T109-P406 HydrophobicContact CG2-CB 4.48Å; T109-P406 HydrophobicContact CG2-CG 4.32Å; P406-I411 HydrophobicContact CB-CD1 3.68Å; P406-I411 HydrophobicContact CG-CD1 4.42Å | ||
| 407 | K | 76.6 | Confident | 84.9 | Confident | 186 Ų | 186 | 56.2 Ų | 56.2 | 81% | 0.809 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -79 | -27.5 | 170.9 | -64.1 | 173.7 | -176.7 | 171.1 | 0 | 111.9 | R405 | R405-K407 PolarHBondContact O-N 3.38Š|
| 408 | E | 79.3 | Confident | 84.8 | Confident | 140 Ų | 140 | 57.7 Ų | 57.7 | 65% | 0.654 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -119.5 | -173.1 | -175.3 | -64 | 177.6 | -161.1 | 0 | 0 | 110.7 | T410 | E408-T410 VanDerWaalsContact C-N 3.31Å; E408-T410 PolarHBondContact O-N 3.42Å |
| 409 | T | 80.6 | Confident | 85 | Confident | 108 Ų | 108 | 54.3 Ų | 54.3 | 66% | 0.663 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -70.9 | -23.8 | 178.4 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | T109 | T109-T409 WeakPolarHBondContact CA-O 3.38Š|
| 410 | T | 84.5 | Confident | 85.2 | Confident | 32 Ų | 32 | 55.2 Ų | 55.2 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -131.8 | 151.5 | -178.7 | 81 | 0 | 0 | 0 | 0 | 111.3 | V108 N112 E408 | V108-T410 HydrophobicContact CG1-CG2 4.13Å; V108-T410 WeakPolarHBondContact O-CG2 3.45Å; N112-T410 PolarHBondContact ND2-OG1 3.47Å; E408-T410 VanDerWaalsContact C-N 3.31Å; E408-T410 PolarHBondContact O-N 3.42Å |
| 411 | I | 86.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -81.1 | 131.8 | 172.5 | -63.9 | -69.2 | 0 | 0 | 0 | 110.3 | T109 L110 N112 H113 L195 L404 P406 E415 F416 | T109-I411 HydrophobicContact CG2-CG1 4.42Å; T109-I411 PolarHBondContact O-N 3Å; L110-I411 HydrophobicContact CD2-CB 4.1Å; L110-I411 HydrophobicContact CD2-CG1 4.07Å; N112-I411 PolarHBondContact ND2-O 3.36Å; N112-I411 VanDerWaalsContact ND2-O 3.09Å; H113-I411 PolarHBondContact NE2-O 2.92Å; L195-I411 HydrophobicContact CD1-CD1 4.25Å; L195-I411 HydrophobicContact CD1-CG1 3.74Å; L404-I411 HydrophobicContact CB-CD1 4.21Å; L404-I411 HydrophobicContact CD1-CD1 4.32Å; L404-I411 HydrophobicContact CD1-CG2 4.14Å; L404-I411 HydrophobicContact CD2-CD1 4.46Å; P406-I411 HydrophobicContact CB-CD1 3.68Å; P406-I411 HydrophobicContact CG-CD1 4.42Å; I411-E415 HydrophobicContact CG2-CB 4.01Å; I411-F416 HydrophobicContact CG2-CB 4.02Å | ||
| 412 | T | 85.4 | Confident | 85.3 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 26% | 0.264 | 30% | 0.297 | S | S | . | . | trans | -71.6 | 167.5 | 175.8 | 61.5 | 0 | 0 | 0 | 0 | 112.6 | H113 E415 F416 | H113-T412 PolarHBondContact NE2-O 2.87Å; H113-T412 VanDerWaalsContact NE2-O 3.15Å; T412-E415 WeakPolarHBondContact CB-OE2 3.28Å; T412-E415 WeakPolarHBondContact CG2-OE2 3.31Å; T412-E415 PolarHBondContact N-OE2 2.71Å; T412-E415 VanDerWaalsContact OG1-CB 3.31Å; T412-E415 WeakPolarHBondContact OG1-CB 3.48Å; T412-E415 VanDerWaalsContact OG1-CD 3.3Å; T412-E415 WeakPolarHBondContact OG1-CG 3.35Å; T412-E415 PolarHBondContact OG1-N 2.69Å; T412-E415 VanDerWaalsContact OG1-N 3.15Å; T412-E415 PolarHBondContact OG1-OE2 2.76Å; T412-F416 PolarHBondContact O-N 2.85Å | ||
| 413 | I | 81.8 | Confident | 85.1 | Confident | 39 Ų | 39 | 57.9 Ų | 57.9 | 20% | 0.2 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.1 | -42 | 175.1 | -64.9 | 176.4 | 0 | 0 | 0 | 110.3 | P163 L165 F168 F416 S417 | P163-I413 HydrophobicContact CB-CD1 4.34Å; P163-I413 HydrophobicContact CG-CD1 4.27Å; L165-I413 HydrophobicContact CD2-CD1 4.45Å; F168-I413 HydrophobicContact CE2-CG2 3.86Å; F168-I413 HydrophobicContact CZ-CG2 4.4Å; I413-F416 PolarHBondContact O-N 3.24Å; I413-S417 WeakPolarHBondContact O-CB 3.34Å; I413-S417 PolarHBondContact O-N 2.79Å; I413-S417 PolarHBondContact O-OG 3.11Å |
| 414 | Q | 83.3 | Confident | 84.7 | Confident | 129 Ų | 129 | 59.6 Ų | 59.6 | 60% | 0.603 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.4 | -43.8 | -179.6 | -62.9 | 82.1 | -8.7 | 0 | 0 | 112.3 | Y418 | Q414-Y418 VanDerWaalsContact O-CB 3.32Å; Q414-Y418 WeakPolarHBondContact O-CB 3.46Å; Q414-Y418 PolarHBondContact O-N 2.61Å |
| 415 | E | 87.3 | Confident | 84.5 | Confident | 43 Ų | 43 | 61.1 Ų | 61.1 | 20% | 0.201 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 176.2 | -75.6 | 167.8 | 128.3 | 0 | 0 | 112.3 | L404 I411 T412 Y418 A419 | L404-E415 HydrophobicContact CD2-CB 4.02Å; I411-E415 HydrophobicContact CG2-CB 4.01Å; T412-E415 WeakPolarHBondContact CB-OE2 3.28Å; T412-E415 WeakPolarHBondContact CG2-OE2 3.31Å; T412-E415 PolarHBondContact N-OE2 2.71Å; T412-E415 VanDerWaalsContact OG1-CB 3.31Å; T412-E415 WeakPolarHBondContact OG1-CB 3.48Å; T412-E415 VanDerWaalsContact OG1-CD 3.3Å; T412-E415 WeakPolarHBondContact OG1-CG 3.35Å; T412-E415 PolarHBondContact OG1-N 2.69Å; T412-E415 VanDerWaalsContact OG1-N 3.15Å; T412-E415 PolarHBondContact OG1-OE2 2.76Å; E415-Y418 PolarHBondContact O-N 2.93Å; E415-A419 WeakPolarHBondContact O-CB 3.46Å; E415-A419 PolarHBondContact O-N 2.84Å |
| 416 | F | 87.6 | Confident | 84.5 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 2% | 0.022 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.3 | -44.6 | 179.5 | -168 | -117.5 | 0 | 0 | 0 | 111.9 | V70 H113 L179 I182 L404 I411 T412 I413 Y418 A419 L420 | V70-F416 HydrophobicContact CG2-CE1 4.3Å; V70-F416 HydrophobicContact CG2-CZ 3.94Å; H113-F416 WeakPolarHBondContact CE1-CB 3.48Å; H113-F416 AromaticContact CE1-CD1 3.59Å; H113-F416 AromaticContact CE1-CG 3.61Å; H113-F416 AromaticContact CG-CD1 3.96Å; H113-F416 AromaticContact ND1-CD1 3.32Å; H113-F416 VanDerWaalsContact ND1-CD1 3.32Å; H113-F416 WeakPolarHBondContact ND1-CD1 3.46Å; H113-F416 AromaticContact ND1-CE1 3.94Å; H113-F416 AromaticContact ND1-CG 3.73Å; H113-F416 AromaticContact NE2-CG 3.98Å; L179-F416 HydrophobicContact CD2-CE2 4.16Å; L179-F416 HydrophobicContact CD2-CZ 3.72Å; I182-F416 HydrophobicContact CD1-CE2 3.63Å; I182-F416 HydrophobicContact CD1-CZ 3.93Å; L404-F416 HydrophobicContact CD1-CD2 4.13Å; I411-F416 HydrophobicContact CG2-CB 4.02Å; T412-F416 PolarHBondContact O-N 2.85Å; I413-F416 PolarHBondContact O-N 3.24Å; F416-Y418 VanDerWaalsContact C-N 3.28Å; F416-Y418 PolarHBondContact O-N 3.18Å; F416-A419 WeakPolarHBondContact O-CB 3.34Å; F416-A419 PolarHBondContact O-N 3.04Å; F416-A419 VanDerWaalsContact O-N 3.11Å; F416-L420 HydrophobicContact CD1-CD1 4.21Å; F416-L420 HydrophobicContact CE1-CD1 4.05Å; F416-L420 HydrophobicContact CE1-CG 4.45Å; F416-L420 HydrophobicContact CZ-CD2 4.48Å; F416-L420 WeakPolarHBondContact O-CG 3.34Å; F416-L420 PolarHBondContact O-N 3.46Å |
| 417 | S | 83.2 | Confident | 85.1 | Confident | 33 Ų | 33 | 62 Ų | 62 | 23% | 0.231 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.1 | -38.5 | 173.5 | -62.7 | 0 | 0 | 0 | 0 | 112 | I413 L420 S421 | I413-S417 WeakPolarHBondContact O-CB 3.34Å; I413-S417 PolarHBondContact O-N 2.79Å; I413-S417 PolarHBondContact O-OG 3.11Å; S417-L420 PolarHBondContact O-N 3.25Å; S417-S421 PolarHBondContact O-N 3.44Å |
| 418 | Y | 86.8 | Confident | 85.9 | Confident | 124 Ų | 124 | 57.2 Ų | 57.2 | 49% | 0.486 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.7 | -47 | 171.6 | -175.6 | -104.8 | 0 | 0 | 0 | 111.6 | Y402 Q414 E415 F416 L420 S421 Q422 | Y402-Y418 HydrophobicContact CE2-CE1 4.41Å; Y402-Y418 AromaticContact CZ-CE1 3.99Å; Y402-Y418 WeakPolarHBondContact OH-CE1 3.18Å; Q414-Y418 VanDerWaalsContact O-CB 3.32Å; Q414-Y418 WeakPolarHBondContact O-CB 3.46Å; Q414-Y418 PolarHBondContact O-N 2.61Å; E415-Y418 PolarHBondContact O-N 2.93Å; F416-Y418 VanDerWaalsContact C-N 3.28Å; F416-Y418 PolarHBondContact O-N 3.18Å; Y418-L420 VanDerWaalsContact C-N 3.31Å; Y418-L420 PolarHBondContact O-N 3.24Å; Y418-S421 WeakPolarHBondContact O-CB 3.41Å; Y418-S421 PolarHBondContact O-N 3.38Å; Y418-S421 VanDerWaalsContact O-N 3.11Å; Y418-S421 PolarHBondContact O-OG 3.27Å; Y418-Q422 HydrophobicContact CD1-CG 4.24Å; Y418-Q422 HydrophobicContact CE1-CG 3.82Å; Y418-Q422 HydrophobicContact CE2-CG 4.23Å; Y418-Q422 WeakPolarHBondContact O-CG 3.12Å; Y418-Q422 PolarHBondContact O-N 3.17Å; Y418-Q422 VanDerWaalsContact O-N 3.13Å |
| 419 | A | 87.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.8 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y402 L404 E415 F416 Q422 L423 | Y402-A419 VanDerWaalsContact CD1-CA 3.49Å; Y402-A419 HydrophobicContact CD1-CB 3.36Å; Y402-A419 HydrophobicContact CE1-CB 3.89Å; Y402-A419 HydrophobicContact CG-CB 4.19Å; L404-A419 HydrophobicContact CD1-CB 3.76Å; L404-A419 HydrophobicContact CD2-CB 4.04Å; L404-A419 HydrophobicContact CG-CB 3.77Å; E415-A419 WeakPolarHBondContact O-CB 3.46Å; E415-A419 PolarHBondContact O-N 2.84Å; F416-A419 WeakPolarHBondContact O-CB 3.34Å; F416-A419 PolarHBondContact O-N 3.04Å; F416-A419 VanDerWaalsContact O-N 3.11Å; A419-Q422 PolarHBondContact O-N 3.42Å; A419-L423 PolarHBondContact O-N 3.31Å |
| 420 | L | 86 | Confident | 87.1 | Confident | 20 Ų | 20 | 49.6 Ų | 49.6 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 174.1 | -66.9 | 177.3 | 0 | 0 | 0 | 111.6 | L68 P171 L179 F416 S417 Y418 Q422 L423 | L68-L420 HydrophobicContact CB-CD1 4.19Å; L68-L420 HydrophobicContact CD2-CD1 3.9Å; L68-L420 HydrophobicContact CD2-CD2 3.81Å; P171-L420 HydrophobicContact CB-CD1 4.39Å; P171-L420 HydrophobicContact CG-CD1 4.47Å; L179-L420 HydrophobicContact CB-CD2 3.8Å; L179-L420 HydrophobicContact CD1-CD2 4.49Å; L179-L420 HydrophobicContact CD2-CD2 3.9Å; L179-L420 HydrophobicContact CG-CD2 4.29Å; F416-L420 HydrophobicContact CD1-CD1 4.21Å; F416-L420 HydrophobicContact CE1-CD1 4.05Å; F416-L420 HydrophobicContact CE1-CG 4.45Å; F416-L420 HydrophobicContact CZ-CD2 4.48Å; F416-L420 WeakPolarHBondContact O-CG 3.34Å; F416-L420 PolarHBondContact O-N 3.46Å; S417-L420 PolarHBondContact O-N 3.25Å; Y418-L420 VanDerWaalsContact C-N 3.31Å; Y418-L420 PolarHBondContact O-N 3.24Å; L420-Q422 PolarHBondContact O-N 3.46Å; L420-Q422 VanDerWaalsContact O-N 3.14Å; L420-L423 HydrophobicContact CD2-CD1 3.95Å; L420-L423 WeakPolarHBondContact O-CB 3.16Å; L420-L423 PolarHBondContact O-N 3.25Å; L420-L423 VanDerWaalsContact O-N 3.09Å |
| 421 | S | 84.9 | Confident | 87.4 | Confident | 65 Ų | 65 | 48.3 Ų | 48.3 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.8 | -24 | 177.4 | 80.2 | 0 | 0 | 0 | 0 | 114.2 | S417 Y418 P424 | S417-S421 PolarHBondContact O-N 3.44Å; Y418-S421 WeakPolarHBondContact O-CB 3.41Å; Y418-S421 PolarHBondContact O-N 3.38Å; Y418-S421 VanDerWaalsContact O-N 3.11Å; Y418-S421 PolarHBondContact O-OG 3.27Å; S421-P424 WeakPolarHBondContact O-CD 3.49Å |
| 422 | Q | 89.4 | Confident | 87.7 | Confident | 57 Ų | 57 | 49.7 Ų | 49.7 | 27% | 0.266 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -91.5 | -10.5 | -179.9 | -63.6 | -53 | -73.9 | 0 | 0 | 113.2 | Y402 Y418 A419 L420 P424 S425 | Y402-Q422 HydrophobicContact CD2-CB 3.35Å; Y402-Q422 HydrophobicContact CD2-CG 3.93Å; Y402-Q422 HydrophobicContact CE2-CB 3.8Å; Y402-Q422 HydrophobicContact CE2-CG 3.81Å; Y402-Q422 HydrophobicContact CG-CB 3.95Å; Y418-Q422 HydrophobicContact CD1-CG 4.24Å; Y418-Q422 HydrophobicContact CE1-CG 3.82Å; Y418-Q422 HydrophobicContact CE2-CG 4.23Å; Y418-Q422 WeakPolarHBondContact O-CG 3.12Å; Y418-Q422 PolarHBondContact O-N 3.17Å; Y418-Q422 VanDerWaalsContact O-N 3.13Å; A419-Q422 PolarHBondContact O-N 3.42Å; L420-Q422 PolarHBondContact O-N 3.46Å; L420-Q422 VanDerWaalsContact O-N 3.14Å; Q422-P424 VanDerWaalsContact C-CD 3.45Å; Q422-P424 VanDerWaalsContact C-N 3.33Å; Q422-S425 WeakPolarHBondContact O-CB 3.35Å; Q422-S425 PolarHBondContact O-N 2.84Å |
| 423 | L | 87.9 | Confident | 88.1 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -37.4 | 176.9 | -67.8 | 176.7 | 0 | 0 | 0 | 113.7 | L179 C197 G400 A419 L420 S425 | L179-L423 HydrophobicContact CB-CD1 3.91Å; L179-L423 HydrophobicContact CD1-CD1 3.99Å; L179-L423 HydrophobicContact CD1-CD2 4.47Å; C197-L423 HydrophobicContact CB-CD2 4.26Å; G400-L423 WeakPolarHBondContact CA-O 3.33Å; G400-L423 PolarHBondContact N-O 3.21Å; A419-L423 PolarHBondContact O-N 3.31Å; L420-L423 HydrophobicContact CD2-CD1 3.95Å; L420-L423 WeakPolarHBondContact O-CB 3.16Å; L420-L423 PolarHBondContact O-N 3.25Å; L420-L423 VanDerWaalsContact O-N 3.09Å; L423-S425 PolarHBondContact O-N 3.3Å; L423-S425 VanDerWaalsContact O-N 3.13Å |
| 424 | P | 85.2 | Confident | 88.7 | Confident | 48 Ų | 48 | 46.6 Ų | 46.6 | 31% | 0.312 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -8.6 | 175 | -23.5 | 35.8 | 0 | 0 | 0 | 115.5 | K177 S421 Q422 | K177-P424 HydrophobicContact CD-CB 3.96Å; K177-P424 HydrophobicContact CD-CG 4.13Å; S421-P424 WeakPolarHBondContact O-CD 3.49Å; Q422-P424 VanDerWaalsContact C-CD 3.45Å; Q422-P424 VanDerWaalsContact C-N 3.33Å |
| 425 | S | 86.1 | Confident | 89.2 | Confident | 40 Ų | 40 | 40.5 Ų | 40.5 | 28% | 0.28 | 22% | 0.22 | S | C | . | . | trans | -71.7 | 129 | -175.1 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | G399 Q422 L423 S427 | G399-S425 WeakPolarHBondContact CA-O 3.4Å; Q422-S425 WeakPolarHBondContact O-CB 3.35Å; Q422-S425 PolarHBondContact O-N 2.84Å; L423-S425 PolarHBondContact O-N 3.3Å; L423-S425 VanDerWaalsContact O-N 3.13Å; S425-S427 PolarHBondContact O-N 3.21Å; S425-S427 WeakPolarHBondContact OG-CB 3.43Å; S425-S427 PolarHBondContact OG-N 3.12Å; S425-S427 PolarHBondContact OG-OG 2.98Å; S425-S427 VanDerWaalsContact OG-OG 3.13Å | ||
| 426 | Q | 87.5 | Confident | 89.5 | Confident | 122 Ų | 122 | 40.8 Ų | 40.8 | 57% | 0.57 | 22% | 0.222 | S | C | * | . | trans | -87.5 | 19.9 | 173.2 | -61.2 | -176.1 | 33.5 | 0 | 0 | 112.9 | Q397 | Q397-Q426 VanDerWaalsContact O-CD 3.23Å; Q397-Q426 PolarHBondContact O-NE2 2.69Å; Q397-Q426 VanDerWaalsContact O-NE2 3.12Å; Q397-Q426 PolarHBondContact O-OE1 3.19Å | ||
| 427 | S | 89.6 | Confident | 89.6 | Confident | 63 Ų | 63 | 44.5 Ų | 44.5 | 44% | 0.441 | 24% | 0.236 | S | C | . | . | trans | -55 | 136.8 | -178.7 | 50.2 | 0 | 0 | 0 | 0 | 113 | F401 S425 W429 | F401-S427 WeakPolarHBondContact CZ-O 3.5Å; S425-S427 PolarHBondContact O-N 3.21Å; S425-S427 WeakPolarHBondContact OG-CB 3.43Å; S425-S427 PolarHBondContact OG-N 3.12Å; S425-S427 PolarHBondContact OG-OG 2.98Å; S425-S427 VanDerWaalsContact OG-OG 3.13Å; S427-W429 PolarHBondContact O-N 3.14Å | ||
| 428 | I | 92.5 | Very high | 89.7 | Confident | 86 Ų | 86 | 43.2 Ų | 43.2 | 44% | 0.441 | 23% | 0.228 | S | C | . | . | trans | -69.7 | 124.1 | 177.9 | -59.6 | 164.8 | 0 | 0 | 0 | 109.6 | S380 I382 P430 | S380-I428 WeakPolarHBondContact OG-CD1 3.47Å; I382-I428 HydrophobicContact CD1-CG2 4.46Å; I428-P430 WeakPolarHBondContact O-CD 3.37Å | ||
| 429 | W | 92.6 | Very high | 89.6 | Confident | 39 Ų | 39 | 45.3 Ų | 45.3 | 15% | 0.148 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 114.8 | 171.1 | 177.1 | -118.4 | 0 | 0 | 0 | 111.2 | E334 V335 G393 L394 F401 I403 S427 T431 | E334-W429 HydrophobicContact CB-CD2 4.03Å; E334-W429 HydrophobicContact CB-CG 3.98Å; E334-W429 HydrophobicContact CB-CZ2 4.42Å; E334-W429 HydrophobicContact CG-CD2 4.24Å; E334-W429 HydrophobicContact CG-CZ2 3.73Å; E334-W429 VanDerWaalsContact OE1-CZ2 3.3Å; E334-W429 WeakPolarHBondContact OE1-CZ2 3.34Å; V335-W429 HydrophobicContact CG1-CB 4.04Å; V335-W429 HydrophobicContact CG1-CG 4.42Å; G393-W429 CarbonylContact C-O 3.59Å; G393-W429 WeakPolarHBondContact CA-O 3.35Å; L394-W429 PolarHBondContact N-O 3.46Å; L394-W429 PolarHBondContact O-N 3.24Å; F401-W429 HydrophobicContact CE2-CB 3.94Å; F401-W429 HydrophobicContact CZ-CB 3.99Å; I403-W429 HydrophobicContact CD1-CD2 3.82Å; I403-W429 HydrophobicContact CD1-CE3 3.36Å; I403-W429 HydrophobicContact CD1-CH2 3.5Å; I403-W429 HydrophobicContact CD1-CZ2 3.9Å; I403-W429 HydrophobicContact CD1-CZ3 3.21Å; S427-W429 PolarHBondContact O-N 3.14Å; W429-T431 PolarHBondContact O-N 2.82Å |
| 430 | P | 93.1 | Very high | 89.4 | Confident | 50 Ų | 50 | 47.8 Ų | 47.8 | 33% | 0.325 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 111.3 | 170.9 | 29.3 | -33.6 | 0 | 0 | 0 | 110.3 | I382 I428 S432 | I382-P430 HydrophobicContact CD1-CB 3.73Å; I428-P430 WeakPolarHBondContact O-CD 3.37Å; P430-S432 VanDerWaalsContact C-N 3.29Å; P430-S432 PolarHBondContact O-N 3.11Å |
| 431 | T | 92 | Very high | 89.4 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | -18.7 | -176 | 68.3 | 0 | 0 | 0 | 0 | 113.4 | Y330 T332 L392 L394 W429 D433 R449 | Y330-T431 PolarHBondContact OH-OG1 3.4Å; T332-T431 HydrophobicContact CG2-CG2 3.85Å; L392-T431 PolarHBondContact O-N 3.2Å; L392-T431 PolarHBondContact O-OG1 3.41Å; L394-T431 HydrophobicContact CB-CG2 4.42Å; L394-T431 HydrophobicContact CD1-CG2 3.47Å; L394-T431 VanDerWaalsContact CD1-CG2 3.47Å; L394-T431 HydrophobicContact CG-CG2 3.76Å; W429-T431 PolarHBondContact O-N 2.82Å; T431-D433 WeakPolarHBondContact CB-OD2 3.27Å; T431-D433 PolarHBondContact O-N 2.99Å; T431-D433 WeakPolarHBondContact OG1-CB 3.48Å; T431-D433 PolarHBondContact OG1-N 3.42Å; T431-D433 PolarHBondContact OG1-OD2 2.93Å; T431-R449 VanDerWaalsContact O-CZ 3.31Å; T431-R449 PolarHBondContact O-NH1 3Å; T431-R449 PolarHBondContact O-NH2 2.92Å |
| 432 | S | 91.9 | Very high | 89.4 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 20% | 0.203 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 59 | 18.4 | -165.5 | -76.3 | 0 | 0 | 0 | 0 | 115.2 | E391 P430 R449 K450 | E391-S432 WeakPolarHBondContact OE1-CA 3.43Å; E391-S432 WeakPolarHBondContact OE1-CB 3.47Å; E391-S432 PolarHBondContact OE1-N 3.32Å; E391-S432 VanDerWaalsContact OE1-N 3.09Å; E391-S432 PolarHBondContact OE1-OG 3Å; P430-S432 VanDerWaalsContact C-N 3.29Å; P430-S432 PolarHBondContact O-N 3.11Å; S432-R449 WeakPolarHBondContact O-CA 3.44Å; S432-K450 PolarHBondContact O-N 3.1Å |
| 433 | D | 93.7 | Very high | 89.4 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 131.5 | 162.2 | -60.4 | -50.6 | 0 | 0 | 0 | 109.9 | Y330 E391 L392 T431 F446 R449 | Y330-D433 WeakPolarHBondContact CE2-OD2 3.26Å; Y330-D433 PolarHBondContact OH-OD2 2.96Å; E391-D433 WeakPolarHBondContact CA-O 3.44Å; L392-D433 PolarHBondContact N-O 3.4Å; T431-D433 WeakPolarHBondContact CB-OD2 3.27Å; T431-D433 PolarHBondContact O-N 2.99Å; T431-D433 WeakPolarHBondContact OG1-CB 3.48Å; T431-D433 PolarHBondContact OG1-N 3.42Å; T431-D433 PolarHBondContact OG1-OD2 2.93Å; D433-F446 HydrophobicContact CB-CD2 3.95Å; D433-F446 HydrophobicContact CB-CE2 3.89Å; D433-F446 WeakPolarHBondContact OD1-CE2 3.19Å; D433-R449 VanDerWaalsContact CG-NH1 3.29Å; D433-R449 VanDerWaalsContact OD1-CG 3.24Å; D433-R449 WeakPolarHBondContact OD1-CG 3.35Å; D433-R449 IonicContact OD1-CZ 3.6Å; D433-R449 IonicContact OD1-NH1 2.76Å; D433-R449 PolarHBondContact OD1-NH1 3.37Å; D433-R449 IonicContact OD2-NH1 3.76Å |
| 434 | L | 94.2 | Very high | 89.6 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 132.1 | -179.4 | -60.6 | 166 | 0 | 0 | 0 | 109.9 | M386 V389 W390 L447 G448 K450 | M386-L434 HydrophobicContact CE-CD1 3.83Å; M386-L434 HydrophobicContact CE-CD2 4.47Å; V389-L434 HydrophobicContact CG1-CB 3.96Å; V389-L434 HydrophobicContact CG1-CD2 4.22Å; W390-L434 CarbonylContact O-C 3.54Å; W390-L434 WeakPolarHBondContact O-CA 3.45Å; L434-L447 HydrophobicContact CB-CB 4.41Å; L434-L447 PolarHBondContact O-N 3.15Å; L434-G448 VanDerWaalsContact CB-O 3.31Å; L434-G448 WeakPolarHBondContact CB-O 3.18Å; L434-G448 PolarHBondContact N-O 3.28Å; L434-K450 HydrophobicContact CD2-CB 4.48Å |
| 435 | V | 95 | Very high | 90 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 156 | -172.4 | -63.1 | 0 | 0 | 0 | 0 | 113.5 | L370 L381 W390 L392 L444 W445 | L370-V435 HydrophobicContact CD1-CG1 3.67Å; L381-V435 HydrophobicContact CD2-CG2 3.75Å; W390-V435 HydrophobicContact CB-CG2 4.2Å; W390-V435 PolarHBondContact N-O 2.97Å; W390-V435 PolarHBondContact O-N 3.21Å; L392-V435 HydrophobicContact CB-CG1 4.04Å; L392-V435 HydrophobicContact CB-CG2 4.13Å; L392-V435 HydrophobicContact CD2-CG1 4.2Å; V435-L444 HydrophobicContact CB-CD2 4.37Å; V435-L444 HydrophobicContact CG2-CD1 4.42Å; V435-L444 HydrophobicContact CG2-CD2 4.18Å; V435-W445 VanDerWaalsContact CA-O 3.25Å; V435-W445 WeakPolarHBondContact CA-O 3.48Å |
| 436 | H | 92.7 | Very high | 90.3 | Very high | 50 Ų | 50 | 47.4 Ų | 47.4 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 145.7 | 172 | -169.6 | -63.6 | 0 | 0 | 0 | 108.8 | P363 N388 W445 L447 | P363-H436 HydrophobicContact CG-CB 4.27Å; N388-H436 PolarHBondContact O-CD2 3.5Å; H436-W445 PolarHBondContact N-O 3.09Å; H436-W445 PolarHBondContact O-N 2.91Å; H436-L447 HydrophobicContact CB-CD1 4.16Å; H436-L447 HydrophobicContact CB-CD2 4.16Å; H436-L447 HydrophobicContact CB-CG 4.39Å |
| 437 | Y | 89.9 | Confident | 90.6 | Very high | 83 Ų | 83 | 42.8 Ų | 42.8 | 33% | 0.325 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 143.6 | 173.1 | -82.5 | -66.3 | 0 | 0 | 0 | 112.1 | L381 W390 G441 L444 | L381-Y437 HydrophobicContact CD1-CD2 4.17Å; L381-Y437 HydrophobicContact CD1-CE2 3.35Å; W390-Y437 HydrophobicContact CZ3-CD2 4.36Å; Y437-G441 WeakPolarHBondContact CD1-O 3.21Å; Y437-G441 WeakPolarHBondContact CE1-O 3.31Å; Y437-L444 HydrophobicContact CD1-CD2 3.61Å; Y437-L444 HydrophobicContact CD1-CG 4.33Å; Y437-L444 HydrophobicContact CD2-CD2 4.39Å; Y437-L444 HydrophobicContact CE1-CD2 3.56Å; Y437-L444 HydrophobicContact CE1-CG 4.09Å; Y437-L444 HydrophobicContact CE2-CD2 4.36Å; Y437-L444 HydrophobicContact CG-CD2 4.03Å |
| 438 | G | 85.7 | Confident | 90.6 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | trans | -70.6 | 164.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | C440 G441 C443 | G438-C440 PolarHBondContact O-N 3Å; G438-G441 PolarHBondContact O-N 3.14Å; G438-C443 PolarHBondContact N-O 2.96Å | ||
| 439 | Q | 84.8 | Confident | 90.5 | Very high | 169 Ų | 169 | 37.4 Ų | 37.4 | 79% | 0.79 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -11.1 | -177.1 | -67.6 | 171.1 | -47.8 | 0 | 0 | 115.5 | ||
| 440 | C | 83.7 | Confident | 90.3 | Very high | 51 Ų | 51 | 40.7 Ų | 40.7 | 35% | 0.345 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -4.6 | 174.1 | 67 | 0 | 0 | 0 | 0 | 115 | C358 G438 R442 C443 | C358-C440 PolarHBondContact SG-SG 2.89Å; G438-C440 PolarHBondContact O-N 3Å; C440-R442 PolarHBondContact O-N 3.13Å; C440-R442 VanDerWaalsContact O-N 3.11Å; C440-R442 PolarHBondContact SG-N 3.38Å; C440-R442 VanDerWaalsContact SG-N 3.38Å; C440-C443 PolarHBondContact SG-N 3.14Å; C440-C443 VanDerWaalsContact SG-N 3.38Å |
| 441 | G | 84.7 | Confident | 90 | Very high | 47 Ų | 47 | 40.6 Ų | 40.6 | 49% | 0.485 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 68.4 | 1.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y437 G438 | Y437-G441 WeakPolarHBondContact CD1-O 3.21Å; Y437-G441 WeakPolarHBondContact CE1-O 3.31Å; G438-G441 PolarHBondContact O-N 3.14Å |
| 442 | R | 85.2 | Confident | 89.8 | Confident | 160 Ų | 160 | 40.6 Ų | 40.6 | 60% | 0.604 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -116.9 | -49.7 | -175.2 | -63.4 | -169.4 | -67.7 | 147.4 | -1.1 | 114.5 | F372 C440 | F372-R442 HydrophobicContact CE1-CB 4.01Å; C440-R442 PolarHBondContact O-N 3.13Å; C440-R442 VanDerWaalsContact O-N 3.11Å; C440-R442 PolarHBondContact SG-N 3.38Å; C440-R442 VanDerWaalsContact SG-N 3.38Å |
| 443 | C | 89.3 | Confident | 89.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -77.9 | 125.1 | -178.2 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | C358 F372 G438 C440 | C358-C443 HydrophobicContact CB-CB 4.03Å; C358-C443 WeakPolarHBondContact SG-CB 3.26Å; F372-C443 HydrophobicContact CE1-CB 4.36Å; F372-C443 HydrophobicContact CE2-CB 4.16Å; F372-C443 HydrophobicContact CZ-CB 3.86Å; G438-C443 PolarHBondContact N-O 2.96Å; C440-C443 PolarHBondContact SG-N 3.14Å; C440-C443 VanDerWaalsContact SG-N 3.38Å |
| 444 | L | 92.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 147.9 | 173.2 | -71.7 | 177.6 | 0 | 0 | 0 | 111.9 | L370 G371 F379 L381 L392 V435 Y437 | L370-L444 HydrophobicContact CB-CB 4.35Å; L370-L444 PolarHBondContact N-O 2.77Å; G371-L444 PolarHBondContact O-N 2.84Å; F379-L444 HydrophobicContact CD2-CD1 3.5Å; F379-L444 HydrophobicContact CD2-CG 4.32Å; F379-L444 HydrophobicContact CE2-CD1 3.94Å; F379-L444 HydrophobicContact CG-CD1 4.2Å; L381-L444 HydrophobicContact CD1-CD2 4.48Å; L381-L444 HydrophobicContact CD2-CD1 4.16Å; L381-L444 HydrophobicContact CD2-CD2 4.17Å; L392-L444 HydrophobicContact CD1-CD1 3.8Å; L392-L444 HydrophobicContact CD2-CD1 4.47Å; V435-L444 HydrophobicContact CB-CD2 4.37Å; V435-L444 HydrophobicContact CG2-CD1 4.42Å; V435-L444 HydrophobicContact CG2-CD2 4.18Å; Y437-L444 HydrophobicContact CD1-CD2 3.61Å; Y437-L444 HydrophobicContact CD1-CG 4.33Å; Y437-L444 HydrophobicContact CD2-CD2 4.39Å; Y437-L444 HydrophobicContact CE1-CD2 3.56Å; Y437-L444 HydrophobicContact CE1-CG 4.09Å; Y437-L444 HydrophobicContact CE2-CD2 4.36Å; Y437-L444 HydrophobicContact CG-CD2 4.03Å |
| 445 | W | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 122.4 | 176.2 | -69 | 73.4 | 0 | 0 | 0 | 110.8 | L313 C360 P362 P363 S368 P369 V435 H436 | L313-W445 HydrophobicContact CD2-CH2 3.85Å; L313-W445 HydrophobicContact CD2-CZ3 3.98Å; C360-W445 HydrophobicContact CB-CZ2 4.39Å; C360-W445 WeakPolarHBondContact O-CZ2 3.24Å; P362-W445 HydrophobicContact CB-CE3 3.98Å; P362-W445 HydrophobicContact CB-CH2 3.97Å; P362-W445 HydrophobicContact CB-CZ3 3.52Å; P362-W445 HydrophobicContact CG-CH2 3.77Å; P362-W445 HydrophobicContact CG-CZ3 3.63Å; P363-W445 VanDerWaalsContact CD-CD2 3.47Å; P363-W445 VanDerWaalsContact CD-CG 3.45Å; P363-W445 HydrophobicContact CG-CB 3.79Å; P363-W445 HydrophobicContact CG-CD2 4.37Å; P363-W445 HydrophobicContact CG-CG 3.85Å; S368-W445 CarbonylContact O-C 3.57Å; S368-W445 WeakPolarHBondContact O-CA 3.11Å; P369-W445 HydrophobicContact CB-CD2 4.05Å; P369-W445 HydrophobicContact CB-CE3 4.03Å; P369-W445 HydrophobicContact CB-CH2 4.02Å; P369-W445 HydrophobicContact CB-CZ2 4.03Å; P369-W445 HydrophobicContact CB-CZ3 4.02Å; P369-W445 HydrophobicContact CG-CE3 4.46Å; P369-W445 HydrophobicContact CG-CH2 4.2Å; P369-W445 HydrophobicContact CG-CZ3 4.08Å; V435-W445 VanDerWaalsContact CA-O 3.25Å; V435-W445 WeakPolarHBondContact CA-O 3.48Å; H436-W445 PolarHBondContact N-O 3.09Å; H436-W445 PolarHBondContact O-N 2.91Å |
| 446 | F | 93.9 | Very high | 88.4 | Confident | 20 Ų | 20 | 48.4 Ų | 48.4 | 9% | 0.088 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 131.2 | 173.3 | 173 | -92.7 | 0 | 0 | 0 | 111.1 | P310 S367 S368 L370 D433 G448 R449 E464 | P310-F446 HydrophobicContact CB-CD1 4.27Å; P310-F446 HydrophobicContact CB-CE1 4.16Å; P310-F446 HydrophobicContact CG-CD1 4.19Å; P310-F446 HydrophobicContact CG-CE1 3.59Å; P310-F446 HydrophobicContact CG-CZ 4.34Å; S367-F446 CarbonylContact C-O 3.44Å; S367-F446 WeakPolarHBondContact CA-O 3.44Å; S367-F446 VanDerWaalsContact CB-O 3.25Å; S367-F446 WeakPolarHBondContact CB-O 3.22Å; S368-F446 PolarHBondContact N-O 3.1Å; S368-F446 PolarHBondContact O-N 3.37Å; L370-F446 HydrophobicContact CD1-CB 4.23Å; L370-F446 HydrophobicContact CD2-CB 3.69Å; L370-F446 HydrophobicContact CG-CB 3.9Å; D433-F446 HydrophobicContact CB-CD2 3.95Å; D433-F446 HydrophobicContact CB-CE2 3.89Å; D433-F446 WeakPolarHBondContact OD1-CE2 3.19Å; F446-G448 VanDerWaalsContact CE1-CA 3.46Å; F446-G448 VanDerWaalsContact CE1-N 3.31Å; F446-G448 WeakPolarHBondContact CE2-O 3.14Å; F446-G448 VanDerWaalsContact CZ-C 3.48Å; F446-R449 HydrophobicContact CE2-CG 4.14Å; F446-R449 HydrophobicContact CZ-CG 4.2Å; F446-E464 HydrophobicContact CE1-CG 4.4Å |
| 447 | L | 91.9 | Very high | 87.8 | Confident | 24 Ų | 24 | 50.3 Ų | 50.3 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -23.1 | 179.3 | -53.8 | -170.9 | 0 | 0 | 0 | 113.6 | L364 V389 L434 H436 | L364-L447 HydrophobicContact CB-CD2 4.4Å; L364-L447 HydrophobicContact CD1-CD1 3.94Å; L364-L447 HydrophobicContact CD1-CD2 3.98Å; V389-L447 HydrophobicContact CB-CD1 4.38Å; V389-L447 HydrophobicContact CG1-CD1 3.85Å; V389-L447 HydrophobicContact CG2-CD1 3.63Å; L434-L447 HydrophobicContact CB-CB 4.41Å; L434-L447 PolarHBondContact O-N 3.15Å; H436-L447 HydrophobicContact CB-CD1 4.16Å; H436-L447 HydrophobicContact CB-CD2 4.16Å; H436-L447 HydrophobicContact CB-CG 4.39Å |
| 448 | G | 90.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.3 | -177.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L434 F446 E464 | L434-G448 VanDerWaalsContact CB-O 3.31Å; L434-G448 WeakPolarHBondContact CB-O 3.18Å; L434-G448 PolarHBondContact N-O 3.28Å; F446-G448 VanDerWaalsContact CE1-CA 3.46Å; F446-G448 VanDerWaalsContact CE1-N 3.31Å; F446-G448 WeakPolarHBondContact CE2-O 3.14Å; F446-G448 VanDerWaalsContact CZ-C 3.48Å; G448-E464 WeakPolarHBondContact CA-OE1 3.3Å |
| 449 | R | 89.5 | Confident | 87.2 | Confident | 37 Ų | 37 | 54.5 Ų | 54.5 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 153.8 | 179.2 | -66.2 | -173.7 | 55.7 | 83 | 1.5 | 114.8 | T431 S432 D433 F446 D451 R452 T453 E464 | T431-R449 VanDerWaalsContact O-CZ 3.31Å; T431-R449 PolarHBondContact O-NH1 3Å; T431-R449 PolarHBondContact O-NH2 2.92Å; S432-R449 WeakPolarHBondContact O-CA 3.44Å; D433-R449 VanDerWaalsContact CG-NH1 3.29Å; D433-R449 VanDerWaalsContact OD1-CG 3.24Å; D433-R449 WeakPolarHBondContact OD1-CG 3.35Å; D433-R449 IonicContact OD1-CZ 3.6Å; D433-R449 IonicContact OD1-NH1 2.76Å; D433-R449 PolarHBondContact OD1-NH1 3.37Å; D433-R449 IonicContact OD2-NH1 3.76Å; F446-R449 HydrophobicContact CE2-CG 4.14Å; F446-R449 HydrophobicContact CZ-CG 4.2Å; R449-D451 WeakPolarHBondContact CB-OD1 3.38Å; R449-D451 IonicContact CZ-OD1 3.3Å; R449-D451 IonicContact NE-OD1 3.9Å; R449-D451 PolarHBondContact NE-OD1 3.29Å; R449-D451 IonicContact NE-OD2 2.63Å; R449-D451 IonicContact NH2-OD1 2.75Å; R449-D451 IonicContact NH2-OD2 3.13Å; R449-R452 HydrophobicContact CB-CB 4.25Å; R449-R452 HydrophobicContact CB-CG 4.37Å; R449-R452 CarbonylContact O-C 3.57Å; R449-R452 PolarHBondContact O-N 2.96Å; R449-R452 VanDerWaalsContact O-N 3.16Å; R449-T453 PolarHBondContact O-N 3.31Å; R449-T453 PolarHBondContact O-OG1 2.87Å; R449-E464 PolarHBondContact N-OE1 3.28Å |
| 450 | K | 89.4 | Confident | 87.3 | Confident | 107 Ų | 107 | 50.4 Ų | 50.4 | 47% | 0.465 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -61.9 | -43.8 | 173.8 | -164.9 | 178.5 | -175 | 177.6 | 0 | 111.6 | E391 S432 L434 R452 T453 | E391-K450 IonicContact OE1-NZ 3.99Å; E391-K450 WeakPolarHBondContact OE2-CD 3.45Å; E391-K450 WeakPolarHBondContact OE2-CE 3.42Å; E391-K450 IonicContact OE2-NZ 2.76Å; E391-K450 PolarHBondContact OE2-NZ 3.07Å; S432-K450 PolarHBondContact O-N 3.1Å; L434-K450 HydrophobicContact CD2-CB 4.48Å; K450-R452 PolarHBondContact O-N 2.96Å; K450-T453 PolarHBondContact O-N 3.23Å; K450-T453 VanDerWaalsContact O-N 3.14Å |
| 451 | D | 86 | Confident | 87.5 | Confident | 48 Ų | 48 | 48.1 Ų | 48.1 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -71.4 | -11.4 | 174.9 | 64.4 | -9.6 | 0 | 0 | 0 | 113.9 | S188 F189 R449 | S188-D451 WeakPolarHBondContact CB-OD2 3.35Å; S188-D451 PolarHBondContact OG-OD2 2.82Å; F189-D451 HydrophobicContact CD2-CB 3.86Å; F189-D451 WeakPolarHBondContact CD2-OD2 3.47Å; F189-D451 HydrophobicContact CE2-CB 4.45Å; F189-D451 WeakPolarHBondContact CE2-O 3.28Å; F189-D451 HydrophobicContact CG-CB 4.25Å; F189-D451 WeakPolarHBondContact CZ-O 3.36Å; R449-D451 WeakPolarHBondContact CB-OD1 3.38Å; R449-D451 IonicContact CZ-OD1 3.3Å; R449-D451 IonicContact NE-OD1 3.9Å; R449-D451 PolarHBondContact NE-OD1 3.29Å; R449-D451 IonicContact NE-OD2 2.63Å; R449-D451 IonicContact NH2-OD1 2.75Å; R449-D451 IonicContact NH2-OD2 3.13Å |
| 452 | R | 88 | Confident | 87.7 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 2% | 0.019 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -107.2 | 17.1 | 171.5 | -63.5 | -172.1 | 61.9 | 76 | 1.2 | 113.4 | F189 R449 K450 C462 L463 E464 E467 C485 | F189-R452 HydrophobicContact CD2-CG 4.5Å; F189-R452 HydrophobicContact CE2-CG 3.43Å; F189-R452 VanDerWaalsContact CE2-CG 3.43Å; F189-R452 HydrophobicContact CZ-CG 3.82Å; R449-R452 HydrophobicContact CB-CB 4.25Å; R449-R452 HydrophobicContact CB-CG 4.37Å; R449-R452 CarbonylContact O-C 3.57Å; R449-R452 PolarHBondContact O-N 2.96Å; R449-R452 VanDerWaalsContact O-N 3.16Å; K450-R452 PolarHBondContact O-N 2.96Å; R452-C462 WeakPolarHBondContact O-CA 3.27Å; R452-L463 HydrophobicContact CB-CB 4.43Å; R452-L463 HydrophobicContact CB-CD1 4.37Å; R452-L463 WeakPolarHBondContact O-CG 3.29Å; R452-L463 PolarHBondContact O-N 3.33Å; R452-E464 WeakPolarHBondContact CB-OE2 3.5Å; R452-E464 WeakPolarHBondContact CD-OE2 3.38Å; R452-E464 IonicContact CZ-OE2 3.08Å; R452-E464 IonicContact NE-OE1 3.85Å; R452-E464 IonicContact NE-OE2 2.65Å; R452-E464 PolarHBondContact NE-OE2 3.04Å; R452-E464 IonicContact NH2-OE2 2.89Å; R452-E467 IonicContact CZ-OE1 3.7Å; R452-E467 IonicContact NH2-OE1 3.84Å; R452-E467 PolarHBondContact NH2-OE1 2.94Å; R452-C485 PolarHBondContact NH2-O 3.04Å |
| 453 | T | 88.4 | Confident | 88 | Confident | 27 Ų | 27 | 39.1 Ų | 39.1 | 17% | 0.166 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 105.9 | 174.8 | -61.4 | 0 | 0 | 0 | 0 | 110.1 | R449 K450 Q460 I461 | R449-T453 PolarHBondContact O-N 3.31Å; R449-T453 PolarHBondContact O-OG1 2.87Å; K450-T453 PolarHBondContact O-N 3.23Å; K450-T453 VanDerWaalsContact O-N 3.14Å; T453-Q460 HydrophobicContact CG2-CB 4.07Å; T453-Q460 HydrophobicContact CG2-CG 4.46Å; T453-I461 CarbonylContact C-O 3.53Å; T453-I461 WeakPolarHBondContact CA-O 3.49Å |
| 454 | I | 87 | Confident | 88.1 | Confident | 25 Ų | 25 | 39.9 Ų | 39.9 | 13% | 0.128 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 153.7 | -178.4 | 63 | 168.4 | 0 | 0 | 0 | 112 | Q460 I461 V487 N495 I497 | I454-Q460 CarbonylContact O-C 3.54Å; I454-Q460 WeakPolarHBondContact O-CA 3.18Å; I454-I461 HydrophobicContact CD1-CD1 4.23Å; I454-I461 HydrophobicContact CD1-CG1 4.24Å; I454-I461 HydrophobicContact CG1-CD1 4.17Å; I454-I461 HydrophobicContact CG1-CG1 3.63Å; I454-I461 PolarHBondContact N-O 2.94Å; I454-I461 PolarHBondContact O-N 3.38Å; I454-V487 HydrophobicContact CD1-CG1 4.43Å; I454-V487 HydrophobicContact CD1-CG2 3.86Å; I454-V487 HydrophobicContact CG2-CG2 4.05Å; I454-N495 HydrophobicContact CD1-CB 4.24Å; I454-I497 HydrophobicContact CD1-CD1 4.1Å; I454-I497 HydrophobicContact CD1-CG1 4.28Å |
| 455 | K | 85.3 | Confident | 87.9 | Confident | 143 Ų | 143 | 43.4 Ų | 43.4 | 62% | 0.622 | 21% | 0.213 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 135.5 | 161.1 | -75.9 | -176.8 | 175.2 | -179.3 | 0 | 110.1 | Y459 Q460 N495 | K455-Y459 CarbonylContact C-O 3.57Å; K455-Y459 WeakPolarHBondContact CA-O 3.44Å; K455-Q460 HydrophobicContact CG-CG 3.91Å; K455-N495 PolarHBondContact O-ND2 2.91Å |
| 456 | R | 84.4 | Confident | 87.9 | Confident | 16 Ų | 16 | 43.5 Ų | 43.5 | 6% | 0.06 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 122.9 | 176 | -161.8 | 177.1 | -174.6 | -134.3 | 0.9 | 110.6 | G458 Y459 I461 N495 P544 L546 T548 | R456-G458 PolarHBondContact O-N 2.85Å; R456-Y459 PolarHBondContact N-O 2.91Å; R456-Y459 PolarHBondContact O-N 3.01Å; R456-Y459 VanDerWaalsContact O-N 3.14Å; R456-I461 HydrophobicContact CB-CD1 4.14Å; R456-N495 PolarHBondContact NE-O 3.14Å; R456-P544 HydrophobicContact CB-CB 4.4Å; R456-P544 WeakPolarHBondContact CD-O 3.39Å; R456-P544 PolarHBondContact NH1-O 3.45Å; R456-L546 PolarHBondContact NH1-O 3.38Å; R456-T548 PolarHBondContact NH2-OG1 3.48Å; R456-T548 VanDerWaalsContact NH2-OG1 3.12Å |
| 457 | F | 81.5 | Confident | 87.9 | Confident | 90 Ų | 90 | 43 Ų | 43 | 40% | 0.395 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 39.5 | -169.9 | -46.4 | -71.4 | 0 | 0 | 0 | 113.3 | Y459 Q494 Q543 P544 | F457-Y459 VanDerWaalsContact C-N 3.26Å; F457-Y459 WeakPolarHBondContact O-CD2 3.29Å; F457-Y459 PolarHBondContact O-N 3.15Å; F457-Q494 HydrophobicContact CE1-CG 4.3Å; F457-Q543 HydrophobicContact CD2-CG 4.35Å; F457-Q543 HydrophobicContact CE2-CG 4.14Å; F457-P544 HydrophobicContact CB-CG 4.47Å; F457-P544 HydrophobicContact CD2-CB 4.3Å; F457-P544 HydrophobicContact CD2-CG 4.19Å |
| 458 | G | 79.7 | Confident | 87.7 | Confident | 70 Ų | 70 | 43.5 Ų | 43.5 | 72% | 0.722 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -28.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R456 | R456-G458 PolarHBondContact O-N 2.85Š|
| 459 | Y | 83.1 | Confident | 87.7 | Confident | 106 Ų | 106 | 43.5 Ų | 43.5 | 42% | 0.416 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 141.1 | -177.7 | -62.3 | -88 | 0 | 0 | 0 | 112.6 | K455 R456 F457 N541 P544 | K455-Y459 CarbonylContact C-O 3.57Å; K455-Y459 WeakPolarHBondContact CA-O 3.44Å; R456-Y459 PolarHBondContact N-O 2.91Å; R456-Y459 PolarHBondContact O-N 3.01Å; R456-Y459 VanDerWaalsContact O-N 3.14Å; F457-Y459 VanDerWaalsContact C-N 3.26Å; F457-Y459 WeakPolarHBondContact O-CD2 3.29Å; F457-Y459 PolarHBondContact O-N 3.15Å; Y459-N541 HydrophobicContact CE1-CB 3.96Å; Y459-N541 VanDerWaalsContact OH-CG 3.31Å; Y459-N541 PolarHBondContact OH-ND2 3.02Å; Y459-P544 HydrophobicContact CD2-CG 3.45Å; Y459-P544 VanDerWaalsContact CD2-CG 3.45Å; Y459-P544 HydrophobicContact CE2-CG 4.31Å; Y459-P544 HydrophobicContact CG-CG 3.83Å |
| 460 | Q | 85.9 | Confident | 87.9 | Confident | 83 Ų | 83 | 41.7 Ų | 41.7 | 39% | 0.388 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 130.2 | 163.8 | -77.7 | -177.8 | -39.9 | 0 | 0 | 110.3 | T453 I454 K455 | T453-Q460 HydrophobicContact CG2-CB 4.07Å; T453-Q460 HydrophobicContact CG2-CG 4.46Å; I454-Q460 CarbonylContact O-C 3.54Å; I454-Q460 WeakPolarHBondContact O-CA 3.18Å; K455-Q460 HydrophobicContact CG-CG 3.91Å |
| 461 | I | 87.4 | Confident | 87.8 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 136.8 | 178.3 | 64.1 | 179.8 | 0 | 0 | 0 | 110.8 | T453 I454 R456 I497 P544 W545 | T453-I461 CarbonylContact C-O 3.53Å; T453-I461 WeakPolarHBondContact CA-O 3.49Å; I454-I461 HydrophobicContact CD1-CD1 4.23Å; I454-I461 HydrophobicContact CD1-CG1 4.24Å; I454-I461 HydrophobicContact CG1-CD1 4.17Å; I454-I461 HydrophobicContact CG1-CG1 3.63Å; I454-I461 PolarHBondContact N-O 2.94Å; I454-I461 PolarHBondContact O-N 3.38Å; R456-I461 HydrophobicContact CB-CD1 4.14Å; I461-I497 HydrophobicContact CD1-CD1 3.94Å; I461-P544 HydrophobicContact CD1-CB 4.11Å; I461-P544 WeakPolarHBondContact CD1-O 3.1Å; I461-P544 HydrophobicContact CG2-CB 3.84Å; I461-W545 HydrophobicContact CB-CD2 4.1Å; I461-W545 HydrophobicContact CB-CE3 4Å; I461-W545 HydrophobicContact CB-CH2 3.87Å; I461-W545 HydrophobicContact CB-CZ2 3.97Å; I461-W545 HydrophobicContact CB-CZ3 3.88Å; I461-W545 HydrophobicContact CG2-CD2 3.73Å; I461-W545 HydrophobicContact CG2-CE3 4.16Å; I461-W545 HydrophobicContact CG2-CG 4.26Å; I461-W545 HydrophobicContact CG2-CH2 4.02Å; I461-W545 HydrophobicContact CG2-CZ2 3.57Å; I461-W545 HydrophobicContact CG2-CZ3 4.29Å |
| 462 | C | 90.2 | Very high | 87.8 | Confident | 16 Ų | 16 | 39 Ų | 39 | 11% | 0.108 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 130.6 | 177.1 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | R452 E464 R465 L466 | R452-C462 WeakPolarHBondContact O-CA 3.27Å; C462-E464 PolarHBondContact O-N 2.64Å; C462-R465 PolarHBondContact O-N 3.3Å; C462-L466 PolarHBondContact O-N 3.42Å |
| 463 | L | 91.6 | Very high | 87.8 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.8 | -35.1 | -175.2 | -61.4 | 171.7 | 0 | 0 | 0 | 112.7 | R452 R465 L466 E467 C485 V487 | R452-L463 HydrophobicContact CB-CB 4.43Å; R452-L463 HydrophobicContact CB-CD1 4.37Å; R452-L463 WeakPolarHBondContact O-CG 3.29Å; R452-L463 PolarHBondContact O-N 3.33Å; L463-R465 VanDerWaalsContact C-N 3.32Å; L463-R465 PolarHBondContact O-N 2.98Å; L463-L466 WeakPolarHBondContact O-CB 3.28Å; L463-L466 PolarHBondContact O-N 3.16Å; L463-L466 VanDerWaalsContact O-N 3.16Å; L463-E467 WeakPolarHBondContact O-CB 3.19Å; L463-E467 VanDerWaalsContact O-CG 3.27Å; L463-E467 WeakPolarHBondContact O-CG 3.29Å; L463-E467 PolarHBondContact O-N 2.78Å; L463-C485 HydrophobicContact CB-CB 4.38Å; L463-C485 HydrophobicContact CD2-CB 4.13Å; L463-V487 HydrophobicContact CD1-CG2 3.74Å; L463-V487 HydrophobicContact CD2-CG2 3.95Å; L463-V487 HydrophobicContact CG-CG2 4.43Å |
| 464 | E | 90.2 | Very high | 87.3 | Confident | 15 Ų | 15 | 46.9 Ų | 46.9 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -39.1 | 178.8 | -73 | 80.5 | 109.9 | 0 | 0 | 111.4 | F446 G448 R449 R452 C462 L466 E467 H468 | F446-E464 HydrophobicContact CE1-CG 4.4Å; G448-E464 WeakPolarHBondContact CA-OE1 3.3Å; R449-E464 PolarHBondContact N-OE1 3.28Å; R452-E464 WeakPolarHBondContact CB-OE2 3.5Å; R452-E464 WeakPolarHBondContact CD-OE2 3.38Å; R452-E464 IonicContact CZ-OE2 3.08Å; R452-E464 IonicContact NE-OE1 3.85Å; R452-E464 IonicContact NE-OE2 2.65Å; R452-E464 PolarHBondContact NE-OE2 3.04Å; R452-E464 IonicContact NH2-OE2 2.89Å; C462-E464 PolarHBondContact O-N 2.64Å; E464-L466 VanDerWaalsContact C-N 3.34Å; E464-E467 PolarHBondContact O-N 2.84Å; E464-H468 WeakPolarHBondContact O-CB 3.11Å; E464-H468 PolarHBondContact O-N 3.4Å |
| 465 | R | 90 | Very high | 86.8 | Confident | 75 Ų | 75 | 46 Ų | 46 | 28% | 0.283 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66 | -39 | 175.3 | -172.7 | 172.8 | 175.9 | 179.1 | -3.8 | 111 | C462 L463 V469 F538 W545 | C462-R465 PolarHBondContact O-N 3.3Å; L463-R465 VanDerWaalsContact C-N 3.32Å; L463-R465 PolarHBondContact O-N 2.98Å; R465-V469 VanDerWaalsContact O-CG2 3.27Å; R465-V469 WeakPolarHBondContact O-CG2 3.5Å; R465-V469 PolarHBondContact O-N 3.3Å; R465-V469 VanDerWaalsContact O-N 3.09Å; R465-F538 HydrophobicContact CG-CE1 4.39Å; R465-F538 HydrophobicContact CG-CZ 4.31Å; R465-W545 HydrophobicContact CB-CZ3 4.18Å; R465-W545 HydrophobicContact CG-CH2 4.47Å; R465-W545 HydrophobicContact CG-CZ3 4.27Å |
| 466 | L | 92.3 | Very high | 86.2 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.1 | -49.1 | 171.9 | 174.9 | 56.2 | 0 | 0 | 0 | 111.6 | C462 L463 E464 H468 V469 I470 I497 L534 W545 P547 | C462-L466 PolarHBondContact O-N 3.42Å; L463-L466 WeakPolarHBondContact O-CB 3.28Å; L463-L466 PolarHBondContact O-N 3.16Å; L463-L466 VanDerWaalsContact O-N 3.16Å; E464-L466 VanDerWaalsContact C-N 3.34Å; L466-H468 PolarHBondContact O-N 3.31Å; L466-V469 PolarHBondContact O-N 3.09Å; L466-I470 HydrophobicContact CD1-CD1 3.88Å; L466-I470 HydrophobicContact CD1-CG1 4.24Å; L466-I470 HydrophobicContact CG-CD1 4.05Å; L466-I470 VanDerWaalsContact O-CG1 3.29Å; L466-I470 WeakPolarHBondContact O-CG1 3.18Å; L466-I470 PolarHBondContact O-N 3.33Å; L466-I497 HydrophobicContact CD2-CD1 4.25Å; L466-I497 HydrophobicContact CD2-CG2 4.08Å; L466-L534 HydrophobicContact CD1-CD1 4.11Å; L466-L534 HydrophobicContact CD1-CD2 3.44Å; L466-L534 VanDerWaalsContact CD1-CD2 3.44Å; L466-L534 HydrophobicContact CD1-CG 4.45Å; L466-W545 HydrophobicContact CB-CE3 4.33Å; L466-W545 WeakPolarHBondContact CD1-O 3.48Å; L466-P547 HydrophobicContact CD1-CG 4.45Å; L466-P547 HydrophobicContact CD2-CG 4.42Å |
| 467 | E | 92.6 | Very high | 85.7 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.7 | -44 | 177.4 | -72.4 | 165.6 | -157.9 | 0 | 0 | 112.4 | R452 L463 E464 I470 K471 R484 C485 | R452-E467 IonicContact CZ-OE1 3.7Å; R452-E467 IonicContact NH2-OE1 3.84Å; R452-E467 PolarHBondContact NH2-OE1 2.94Å; L463-E467 WeakPolarHBondContact O-CB 3.19Å; L463-E467 VanDerWaalsContact O-CG 3.27Å; L463-E467 WeakPolarHBondContact O-CG 3.29Å; L463-E467 PolarHBondContact O-N 2.78Å; E464-E467 PolarHBondContact O-N 2.84Å; E467-I470 PolarHBondContact O-N 2.86Å; E467-K471 PolarHBondContact O-N 3.25Å; E467-R484 WeakPolarHBondContact OE1-CD 3.32Å; E467-R484 WeakPolarHBondContact OE2-CD 3.4Å; E467-R484 IonicContact OE2-CZ 3.72Å; E467-R484 IonicContact OE2-NH1 3.93Å; E467-R484 PolarHBondContact OE2-NH1 2.83Å; E467-C485 HydrophobicContact CG-CB 3.96Å; E467-C485 PolarHBondContact OE1-N 3.1Å |
| 468 | H | 89.1 | Confident | 85.5 | Confident | 35 Ų | 35 | 40.4 Ų | 40.4 | 16% | 0.162 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.1 | -45.9 | 177.8 | -166.2 | 110.2 | 0 | 0 | 0 | 111.5 | N314 G366 E464 L466 I470 K471 T472 | N314-H468 PolarHBondContact ND2-NE2 2.81Å; G366-H468 WeakPolarHBondContact CA-CD2 3.27Å; G366-H468 WeakPolarHBondContact CA-ND1 3.44Å; E464-H468 WeakPolarHBondContact O-CB 3.11Å; E464-H468 PolarHBondContact O-N 3.4Å; L466-H468 PolarHBondContact O-N 3.31Å; H468-I470 VanDerWaalsContact C-N 3.26Å; H468-I470 PolarHBondContact O-N 3.24Å; H468-K471 WeakPolarHBondContact O-CA 3.37Å; H468-K471 PolarHBondContact O-N 3.06Å; H468-T472 WeakPolarHBondContact O-CG2 3.38Å; H468-T472 PolarHBondContact O-N 2.93Å |
| 469 | V | 90.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.5 | -39.5 | 177.8 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | L365 R465 L466 T472 C473 K533 L534 V537 F538 | L365-V469 HydrophobicContact CD2-CG2 4.09Å; L365-V469 HydrophobicContact CG-CG2 4.34Å; R465-V469 VanDerWaalsContact O-CG2 3.27Å; R465-V469 WeakPolarHBondContact O-CG2 3.5Å; R465-V469 PolarHBondContact O-N 3.3Å; R465-V469 VanDerWaalsContact O-N 3.09Å; L466-V469 PolarHBondContact O-N 3.09Å; V469-T472 PolarHBondContact O-N 3.26Å; V469-T472 PolarHBondContact O-OG1 3.42Å; V469-C473 PolarHBondContact O-SG 3.15Å; V469-K533 HydrophobicContact CG1-CG 4.14Å; V469-L534 HydrophobicContact CB-CD2 4.21Å; V469-L534 HydrophobicContact CG1-CD2 3.75Å; V469-V537 HydrophobicContact CG1-CB 4.07Å; V469-V537 HydrophobicContact CG1-CG1 4.06Å; V469-V537 HydrophobicContact CG1-CG2 4.05Å; V469-V537 HydrophobicContact CG2-CG1 3.81Å; V469-F538 HydrophobicContact CB-CE2 4.29Å; V469-F538 HydrophobicContact CB-CZ 4.44Å; V469-F538 HydrophobicContact CG1-CE2 4.25Å; V469-F538 HydrophobicContact CG2-CE2 4.18Å; V469-F538 HydrophobicContact CG2-CZ 3.9Å |
| 470 | I | 92.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.1 | -48.7 | 171.3 | -65.1 | 169.7 | 0 | 0 | 0 | 110.9 | L466 E467 H468 T472 C473 I480 C483 I501 I530 L534 P547 | L466-I470 HydrophobicContact CD1-CD1 3.88Å; L466-I470 HydrophobicContact CD1-CG1 4.24Å; L466-I470 HydrophobicContact CG-CD1 4.05Å; L466-I470 VanDerWaalsContact O-CG1 3.29Å; L466-I470 WeakPolarHBondContact O-CG1 3.18Å; L466-I470 PolarHBondContact O-N 3.33Å; E467-I470 PolarHBondContact O-N 2.86Å; H468-I470 VanDerWaalsContact C-N 3.26Å; H468-I470 PolarHBondContact O-N 3.24Å; I470-T472 VanDerWaalsContact C-N 3.25Å; I470-T472 PolarHBondContact O-N 3.35Å; I470-C473 VanDerWaalsContact O-CB 3.3Å; I470-C473 WeakPolarHBondContact O-CB 3.34Å; I470-C473 PolarHBondContact O-N 3.38Å; I470-C473 PolarHBondContact O-SG 2.81Å; I470-C473 VanDerWaalsContact O-SG 3.32Å; I470-I480 HydrophobicContact CG2-CD1 4.06Å; I470-I480 WeakPolarHBondContact O-CD1 3.02Å; I470-C483 HydrophobicContact CB-CB 4.28Å; I470-C483 HydrophobicContact CG2-CB 3.94Å; I470-I501 HydrophobicContact CG2-CD1 3.73Å; I470-I501 HydrophobicContact CG2-CG1 4.3Å; I470-I530 HydrophobicContact CG1-CG2 3.85Å; I470-I530 HydrophobicContact CG2-CD1 4.39Å; I470-I530 HydrophobicContact CG2-CG1 4.49Å; I470-I530 HydrophobicContact CG2-CG2 4.32Å; I470-L534 HydrophobicContact CG1-CD1 4.41Å; I470-L534 HydrophobicContact CG1-CD2 4.23Å; I470-P547 HydrophobicContact CD1-CG 4.22Å |
| 471 | K | 88.8 | Confident | 85.5 | Confident | 56 Ų | 56 | 34.5 Ų | 34.5 | 24% | 0.243 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.8 | -32.4 | 175.9 | -76.1 | -176.8 | 62.1 | 148.3 | 0 | 113.3 | E467 H468 C473 I480 R481 N482 C483 | E467-K471 PolarHBondContact O-N 3.25Å; H468-K471 WeakPolarHBondContact O-CA 3.37Å; H468-K471 PolarHBondContact O-N 3.06Å; K471-C473 PolarHBondContact O-N 2.78Å; K471-I480 HydrophobicContact CG-CG2 4.29Å; K471-R481 WeakPolarHBondContact CE-O 3.43Å; K471-R481 PolarHBondContact NZ-O 2.7Å; K471-N482 PolarHBondContact NZ-OD1 2.92Å; K471-C483 HydrophobicContact CG-CB 4.1Å |
| 472 | T | 86.1 | Confident | 85.5 | Confident | 42 Ų | 42 | 34.8 Ų | 34.8 | 26% | 0.258 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -4.8 | 176.8 | 67.5 | 0 | 0 | 0 | 0 | 115.1 | H468 V469 I470 K474 | H468-T472 WeakPolarHBondContact O-CG2 3.38Å; H468-T472 PolarHBondContact O-N 2.93Å; V469-T472 PolarHBondContact O-N 3.26Å; V469-T472 PolarHBondContact O-OG1 3.42Å; I470-T472 VanDerWaalsContact C-N 3.25Å; I470-T472 PolarHBondContact O-N 3.35Å; T472-K474 PolarHBondContact O-N 2.88Å; T472-K474 VanDerWaalsContact O-N 3.16Å |
| 473 | C | 87.2 | Confident | 85.5 | Confident | 10 Ų | 10 | 34.1 Ų | 34.1 | 7% | 0.068 | 17% | 0.167 | C | C | . | . | trans | -73.5 | 108 | -176.9 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | V469 I470 K471 I480 I530 K533 | V469-C473 PolarHBondContact O-SG 3.15Å; I470-C473 VanDerWaalsContact O-CB 3.3Å; I470-C473 WeakPolarHBondContact O-CB 3.34Å; I470-C473 PolarHBondContact O-N 3.38Å; I470-C473 PolarHBondContact O-SG 2.81Å; I470-C473 VanDerWaalsContact O-SG 3.32Å; K471-C473 PolarHBondContact O-N 2.78Å; C473-I480 HydrophobicContact CB-CD1 4.04Å; C473-I530 HydrophobicContact CB-CG1 4.18Å; C473-K533 VanDerWaalsContact SG-CB 3.55Å; C473-K533 VanDerWaalsContact SG-CG 3.55Å | ||
| 474 | K | 77.9 | Confident | 85.5 | Confident | 188 Ų | 188 | 34.6 Ų | 34.6 | 82% | 0.817 | 17% | 0.168 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 113.8 | 172.7 | -61.3 | 180 | -177.4 | 177.8 | 0 | 109.8 | T472 | T472-K474 PolarHBondContact O-N 2.88Å; T472-K474 VanDerWaalsContact O-N 3.16Å |
| 475 | S | 76.4 | Confident | 85.5 | Confident | 7 Ų | 7 | 33.9 Ų | 33.9 | 5% | 0.049 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 139 | 168.2 | 172.3 | 0 | 0 | 0 | 0 | 109.1 | S477 L478 | S475-S477 PolarHBondContact O-N 3.02Å; S475-L478 WeakPolarHBondContact CB-O 3.46Å; S475-L478 PolarHBondContact O-N 3.17Å |
| 476 | P | 73.9 | Confident | 85.4 | Confident | 93 Ų | 93 | 31.3 Ų | 31.3 | 60% | 0.604 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -18.9 | -177.3 | -26.5 | 35 | 0 | 0 | 0 | 115.7 | ||
| 477 | S | 72.4 | Confident | 85 | Confident | 35 Ų | 35 | 32.7 Ų | 32.7 | 25% | 0.245 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -15.2 | -175.7 | 50.2 | 0 | 0 | 0 | 0 | 114.8 | S475 H506 | S475-S477 PolarHBondContact O-N 3.02Å; S477-H506 PolarHBondContact O-N 2.93Å |
| 478 | L | 78.2 | Confident | 84.2 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 129.7 | -165.6 | -73.3 | 160.9 | 0 | 0 | 0 | 111.4 | S475 I503 E504 P505 L518 Y522 T526 | S475-L478 WeakPolarHBondContact CB-O 3.46Å; S475-L478 PolarHBondContact O-N 3.17Å; L478-I503 HydrophobicContact CD1-CD1 4.23Å; L478-I503 HydrophobicContact CD2-CB 4.26Å; L478-I503 HydrophobicContact CD2-CD1 4.29Å; L478-E504 CarbonylContact C-O 3.58Å; L478-E504 WeakPolarHBondContact CA-O 3.4Å; L478-P505 HydrophobicContact CD2-CB 4.31Å; L478-P505 HydrophobicContact CD2-CG 4.06Å; L478-L518 HydrophobicContact CD1-CD2 4.31Å; L478-L518 HydrophobicContact CD2-CD2 3.84Å; L478-Y522 HydrophobicContact CD1-CD1 3.89Å; L478-Y522 HydrophobicContact CD1-CG 4.35Å; L478-T526 VanDerWaalsContact CD1-OG1 3.27Å; L478-T526 WeakPolarHBondContact CD1-OG1 3.47Å |
| 479 | K | 81.3 | Confident | 83 | Confident | 84 Ų | 84 | 40.4 Ų | 40.4 | 37% | 0.365 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 132.2 | 166 | -178.7 | 177.8 | -177.9 | -173.8 | 0 | 108.2 | D315 I503 E504 H506 | D315-K479 IonicContact OD1-NZ 2.66Å; D315-K479 PolarHBondContact OD1-NZ 3.37Å; K479-I503 CarbonylContact O-C 3.59Å; K479-I503 WeakPolarHBondContact O-CA 3.38Å; K479-E504 HydrophobicContact CB-CB 4.48Å; K479-E504 PolarHBondContact N-O 2.77Å; K479-E504 PolarHBondContact O-N 3.12Å; K479-H506 PolarHBondContact N-CE1 3.39Å; K479-H506 VanDerWaalsContact N-CE1 3.25Å; K479-H506 PolarHBondContact N-ND1 3.07Å |
| 480 | I | 86.6 | Confident | 81.2 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 120.5 | 160.4 | -65.3 | 172.4 | 0 | 0 | 0 | 107.5 | I470 K471 C473 I501 E502 I503 I530 | I470-I480 HydrophobicContact CG2-CD1 4.06Å; I470-I480 WeakPolarHBondContact O-CD1 3.02Å; K471-I480 HydrophobicContact CG-CG2 4.29Å; C473-I480 HydrophobicContact CB-CD1 4.04Å; I480-I501 HydrophobicContact CB-CG2 4.37Å; I480-I501 HydrophobicContact CD1-CG2 4.06Å; I480-I501 HydrophobicContact CG1-CG2 3.89Å; I480-I501 HydrophobicContact CG2-CG2 3.66Å; I480-E502 WeakPolarHBondContact CA-O 3.5Å; I480-I503 HydrophobicContact CG1-CG2 3.83Å; I480-I530 HydrophobicContact CD1-CD1 3.82Å; I480-I530 HydrophobicContact CD1-CG1 3.84Å |
| 481 | R | 81.1 | Confident | 79 | Confident | 45 Ų | 45 | 48.2 Ų | 48.2 | 17% | 0.17 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -51.2 | 177.5 | -72.1 | 175.1 | 168.4 | -170.4 | -3.4 | 111.2 | K471 E502 E504 | K471-R481 WeakPolarHBondContact CE-O 3.43Å; K471-R481 PolarHBondContact NZ-O 2.7Å; R481-E502 HydrophobicContact CB-CB 4.28Å; R481-E502 HydrophobicContact CB-CG 3.92Å; R481-E502 VanDerWaalsContact CD-CD 3.46Å; R481-E502 WeakPolarHBondContact CD-OE1 3.43Å; R481-E502 HydrophobicContact CG-CG 4.45Å; R481-E502 IonicContact CZ-OE1 3.11Å; R481-E502 PolarHBondContact N-O 2.87Å; R481-E502 IonicContact NE-OE1 2.74Å; R481-E502 IonicContact NH1-OE1 3.98Å; R481-E502 PolarHBondContact NH1-OE1 3.27Å; R481-E504 HydrophobicContact CG-CB 4.2Å; R481-E504 IonicContact CZ-OE1 3.88Å; R481-E504 IonicContact CZ-OE2 2.75Å; R481-E504 IonicContact NE-OE1 3.23Å; R481-E504 IonicContact NE-OE2 3.38Å; R481-E504 PolarHBondContact NE-OE2 3.15Å; R481-E504 IonicContact NH2-OE1 3.07Å; R481-E504 PolarHBondContact NH2-OE1 3.13Å; R481-E504 IonicContact NH2-OE2 3.27Å; R481-E504 PolarHBondContact NH2-OE2 3.09Å |
| 482 | N | 86.7 | Confident | 76.9 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.043 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 149.9 | -175.7 | -71.5 | -49.3 | 0 | 0 | 0 | 110.8 | S286 K471 E502 L557 L565 | S286-N482 PolarHBondContact OG-ND2 2.79Å; S286-N482 VanDerWaalsContact OG-ND2 3.1Å; K471-N482 PolarHBondContact NZ-OD1 2.92Å; N482-E502 HydrophobicContact CB-CB 4.17Å; N482-E502 PolarHBondContact ND2-OE2 2.98Å; N482-E502 PolarHBondContact O-N 2.95Å; N482-L557 HydrophobicContact CB-CD1 4.01Å; N482-L565 HydrophobicContact CB-CD2 4.38Å |
| 483 | C | 90.2 | Very high | 75.1 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.02 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 142.6 | 171 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | I470 K471 F500 | I470-C483 HydrophobicContact CB-CB 4.28Å; I470-C483 HydrophobicContact CG2-CB 3.94Å; K471-C483 HydrophobicContact CG-CB 4.1Å; C483-F500 CarbonylContact C-O 3.6Å; C483-F500 VanDerWaalsContact CA-O 3.22Å; C483-F500 WeakPolarHBondContact CA-O 3.43Å; C483-F500 PolarHBondContact SG-O 3.1Å; C483-F500 VanDerWaalsContact SG-O 3.37Å |
| 484 | R | 90.7 | Very high | 73.8 | Confident | 13 Ų | 13 | 61.5 Ų | 61.5 | 5% | 0.049 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 134 | 165.1 | -173.7 | 69.3 | 76.8 | -151.2 | 10.4 | 108.7 | E309 E467 F500 L565 P569 | E309-R484 IonicContact OE1-NH2 3.37Å; E467-R484 WeakPolarHBondContact OE1-CD 3.32Å; E467-R484 WeakPolarHBondContact OE2-CD 3.4Å; E467-R484 IonicContact OE2-CZ 3.72Å; E467-R484 IonicContact OE2-NH1 3.93Å; E467-R484 PolarHBondContact OE2-NH1 2.83Å; R484-F500 PolarHBondContact N-O 2.93Å; R484-F500 PolarHBondContact O-N 2.99Å; R484-L565 HydrophobicContact CB-CD2 4.38Å; R484-L565 PolarHBondContact NH2-O 3.13Å; R484-P569 HydrophobicContact CB-CG 4.44Å; R484-P569 HydrophobicContact CG-CG 4.36Å |
| 485 | C | 91.1 | Very high | 73.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 132.7 | 175.2 | -66.8 | 0 | 0 | 0 | 0 | 109.7 | R452 L463 E467 I497 I498 S499 | R452-C485 PolarHBondContact NH2-O 3.04Å; L463-C485 HydrophobicContact CB-CB 4.38Å; L463-C485 HydrophobicContact CD2-CB 4.13Å; E467-C485 HydrophobicContact CG-CB 3.96Å; E467-C485 PolarHBondContact OE1-N 3.1Å; C485-I497 HydrophobicContact CB-CG2 4.12Å; C485-I498 WeakPolarHBondContact CA-O 3.28Å; C485-S499 PolarHBondContact SG-OG 3.03Å |
| 486 | Q | 86.8 | Confident | 73.6 | Confident | 21 Ų | 21 | 54.6 Ų | 54.6 | 10% | 0.098 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 140.3 | 174.3 | -175.1 | 172.1 | -12.9 | 0 | 0 | 109 | F488 I498 F500 Y570 | Q486-F488 HydrophobicContact CB-CE2 4.29Å; Q486-F488 HydrophobicContact CG-CD2 4.29Å; Q486-F488 HydrophobicContact CG-CE2 3.73Å; Q486-F488 HydrophobicContact CG-CZ 4.43Å; Q486-I498 PolarHBondContact N-O 3.01Å; Q486-I498 PolarHBondContact O-N 2.86Å; Q486-F500 HydrophobicContact CB-CE2 4.06Å; Q486-Y570 VanDerWaalsContact OE1-CB 3.25Å |
| 487 | V | 84.8 | Confident | 74.3 | Confident | 31 Ų | 31 | 50.2 Ų | 50.2 | 19% | 0.188 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 139.8 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | I454 L463 N495 S496 | I454-V487 HydrophobicContact CD1-CG1 4.43Å; I454-V487 HydrophobicContact CD1-CG2 3.86Å; I454-V487 HydrophobicContact CG2-CG2 4.05Å; L463-V487 HydrophobicContact CD1-CG2 3.74Å; L463-V487 HydrophobicContact CD2-CG2 3.95Å; L463-V487 HydrophobicContact CG-CG2 4.43Å; V487-N495 HydrophobicContact CG1-CB 4.07Å; V487-S496 CarbonylContact C-O 3.51Å; V487-S496 WeakPolarHBondContact CA-O 3.38Å |
| 488 | F | 75.4 | Confident | 75 | Confident | 38 Ų | 38 | 49.1 Ų | 49.1 | 17% | 0.167 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 109.9 | 167.9 | -77.6 | -98.4 | 0 | 0 | 0 | 107.6 | Q486 G490 S496 I498 Y570 T596 | Q486-F488 HydrophobicContact CB-CE2 4.29Å; Q486-F488 HydrophobicContact CG-CD2 4.29Å; Q486-F488 HydrophobicContact CG-CE2 3.73Å; Q486-F488 HydrophobicContact CG-CZ 4.43Å; F488-G490 PolarHBondContact O-N 3.44Å; F488-S496 WeakPolarHBondContact CB-OG 3.45Å; F488-S496 PolarHBondContact N-O 3.07Å; F488-S496 PolarHBondContact O-N 3.36Å; F488-S496 PolarHBondContact O-OG 3.29Å; F488-I498 HydrophobicContact CD2-CD1 3.57Å; F488-I498 HydrophobicContact CD2-CG1 3.87Å; F488-I498 HydrophobicContact CE2-CD1 3.67Å; F488-I498 HydrophobicContact CE2-CG1 4.23Å; F488-I498 HydrophobicContact CG-CD1 4.34Å; F488-Y570 HydrophobicContact CE1-CD1 4.04Å; F488-Y570 HydrophobicContact CE1-CE1 4.1Å; F488-Y570 HydrophobicContact CE1-CG 4.35Å; F488-Y570 HydrophobicContact CE2-CD2 4.45Å; F488-Y570 HydrophobicContact CE2-CG 4.27Å; F488-Y570 AromaticContact CZ-CD1 3.58Å; F488-Y570 HydrophobicContact CZ-CD1 3.58Å; F488-Y570 AromaticContact CZ-CD2 3.9Å; F488-Y570 HydrophobicContact CZ-CD2 3.9Å; F488-Y570 HydrophobicContact CZ-CE1 4.05Å; F488-Y570 HydrophobicContact CZ-CE2 4.34Å; F488-Y570 AromaticContact CZ-CG 3.49Å; F488-Y570 HydrophobicContact CZ-CG 3.49Å; F488-Y570 VanDerWaalsContact CZ-CG 3.49Å; F488-T596 HydrophobicContact CB-CG2 4.37Å; F488-T596 HydrophobicContact CD1-CG2 4.11Å; F488-T596 HydrophobicContact CG-CG2 4.24Å |
| 489 | E | 65 | Low | 75.6 | Confident | 167 Ų | 167 | 49 Ų | 49 | 78% | 0.78 | 27% | 0.267 | S | S | * | . | trans | -60.3 | 127.5 | 164.6 | -72.1 | 156.7 | -163.8 | 0 | 0 | 107.9 | N495 | E489-N495 WeakPolarHBondContact CG-OD1 3.48Š| ||
| 490 | G | 53.5 | Low | 75.9 | Confident | 40 Ų | 40 | 45.2 Ų | 45.2 | 41% | 0.412 | 25% | 0.251 | S | S | . | . | trans | -105.5 | 176.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | F488 T492 | F488-G490 PolarHBondContact O-N 3.44Å; G490-T492 PolarHBondContact O-N 3.28Å | ||
| 491 | S | 44.6 | Very low | 76 | Confident | 124 Ų | 124 | 45 Ų | 45 | 87% | 0.867 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -71.7 | 11.5 | 170.6 | 50.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 492 | T | 46.1 | Very low | 76.3 | Confident | 97 Ų | 97 | 42.9 Ų | 42.9 | 60% | 0.595 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -136 | 151.4 | 171.4 | 59.5 | 0 | 0 | 0 | 0 | 108.7 | G490 Q494 | G490-T492 PolarHBondContact O-N 3.28Å; T492-Q494 PolarHBondContact O-N 3.44Å |
| 493 | D | 48.3 | Very low | 76.2 | Confident | 169 Ų | 169 | 42.7 Ų | 42.7 | 90% | 0.904 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -59 | -1 | -174.5 | -70.6 | -47.2 | 0 | 0 | 0 | 115.9 | N495 | D493-N495 PolarHBondContact O-N 3.03Å; D493-N495 VanDerWaalsContact O-N 3.15Å |
| 494 | Q | 59.3 | Low | 75.6 | Confident | 120 Ų | 120 | 45 Ų | 45 | 56% | 0.561 | 25% | 0.251 | S | S | * | . | trans | -87.8 | 79.8 | 179.3 | -60.9 | -164.9 | 23.8 | 0 | 0 | 111.5 | F457 T492 S496 | F457-Q494 HydrophobicContact CE1-CG 4.3Å; T492-Q494 PolarHBondContact O-N 3.44Å; Q494-S496 PolarHBondContact O-N 3.45Å | ||
| 495 | N | 70.1 | Confident | 74.8 | Confident | 34 Ų | 34 | 47.5 Ų | 47.5 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | trans | -36.9 | 113.7 | 166.2 | -85.7 | -39.9 | 0 | 0 | 0 | 111.5 | I454 K455 R456 V487 E489 D493 | I454-N495 HydrophobicContact CD1-CB 4.24Å; K455-N495 PolarHBondContact O-ND2 2.91Å; R456-N495 PolarHBondContact NE-O 3.14Å; V487-N495 HydrophobicContact CG1-CB 4.07Å; E489-N495 WeakPolarHBondContact CG-OD1 3.48Å; D493-N495 PolarHBondContact O-N 3.03Å; D493-N495 VanDerWaalsContact O-N 3.15Å | ||
| 496 | S | 80.2 | Confident | 73.7 | Confident | 17 Ų | 17 | 53.1 Ų | 53.1 | 12% | 0.119 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 137 | -175.6 | 71.6 | 0 | 0 | 0 | 0 | 110.4 | V487 F488 Q494 | V487-S496 CarbonylContact C-O 3.51Å; V487-S496 WeakPolarHBondContact CA-O 3.38Å; F488-S496 WeakPolarHBondContact CB-OG 3.45Å; F488-S496 PolarHBondContact N-O 3.07Å; F488-S496 PolarHBondContact O-N 3.36Å; F488-S496 PolarHBondContact O-OG 3.29Å; Q494-S496 PolarHBondContact O-N 3.45Å |
| 497 | I | 87.7 | Confident | 72.3 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 124.4 | -174.9 | -54.7 | 176.6 | 0 | 0 | 0 | 109.4 | I454 I461 L466 C485 P547 T548 H549 | I454-I497 HydrophobicContact CD1-CD1 4.1Å; I454-I497 HydrophobicContact CD1-CG1 4.28Å; I461-I497 HydrophobicContact CD1-CD1 3.94Å; L466-I497 HydrophobicContact CD2-CD1 4.25Å; L466-I497 HydrophobicContact CD2-CG2 4.08Å; C485-I497 HydrophobicContact CB-CG2 4.12Å; I497-P547 HydrophobicContact CG2-CB 4.42Å; I497-T548 PolarHBondContact N-OG1 3.36Å; I497-T548 PolarHBondContact O-N 3.3Å; I497-H549 PolarHBondContact O-N 2.86Å |
| 498 | I | 87.9 | Confident | 70.6 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 6% | 0.062 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 116.7 | 173.5 | -50.9 | -170.2 | 0 | 0 | 0 | 108.8 | C485 Q486 F488 F500 H549 V551 | C485-I498 WeakPolarHBondContact CA-O 3.28Å; Q486-I498 PolarHBondContact N-O 3.01Å; Q486-I498 PolarHBondContact O-N 2.86Å; F488-I498 HydrophobicContact CD2-CD1 3.57Å; F488-I498 HydrophobicContact CD2-CG1 3.87Å; F488-I498 HydrophobicContact CE2-CD1 3.67Å; F488-I498 HydrophobicContact CE2-CG1 4.23Å; F488-I498 HydrophobicContact CG-CD1 4.34Å; I498-F500 HydrophobicContact CB-CE2 3.87Å; I498-F500 HydrophobicContact CB-CZ 4.45Å; I498-F500 HydrophobicContact CG2-CD2 4.08Å; I498-F500 HydrophobicContact CG2-CE2 3.44Å; I498-F500 VanDerWaalsContact CG2-CE2 3.44Å; I498-F500 HydrophobicContact CG2-CZ 3.73Å; I498-H549 HydrophobicContact CB-CB 4.45Å; I498-H549 HydrophobicContact CG1-CB 4.16Å; I498-H549 HydrophobicContact CG2-CB 4.12Å; I498-V551 HydrophobicContact CG2-CG2 3.74Å |
| 499 | S | 89.7 | Confident | 69 | Low | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 116.7 | 174.7 | -62.1 | 0 | 0 | 0 | 0 | 111 | C485 P547 H549 F550 V551 | C485-S499 PolarHBondContact SG-OG 3.03Å; S499-P547 VanDerWaalsContact OG-CB 3.31Å; S499-P547 WeakPolarHBondContact OG-CB 3.48Å; S499-P547 WeakPolarHBondContact OG-CG 3.2Å; S499-H549 PolarHBondContact N-O 2.96Å; S499-F550 WeakPolarHBondContact O-CA 3.38Å; S499-V551 PolarHBondContact O-N 3.4Å |
| 500 | F | 88.7 | Confident | 67.8 | Low | 5 Ų | 5 | 69 Ų | 69 | 2% | 0.022 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 127.1 | 172.6 | -62 | -104 | 0 | 0 | 0 | 108 | C483 R484 Q486 I498 V551 F553 L557 P569 Y570 F573 | C483-F500 CarbonylContact C-O 3.6Å; C483-F500 VanDerWaalsContact CA-O 3.22Å; C483-F500 WeakPolarHBondContact CA-O 3.43Å; C483-F500 PolarHBondContact SG-O 3.1Å; C483-F500 VanDerWaalsContact SG-O 3.37Å; R484-F500 PolarHBondContact N-O 2.93Å; R484-F500 PolarHBondContact O-N 2.99Å; Q486-F500 HydrophobicContact CB-CE2 4.06Å; I498-F500 HydrophobicContact CB-CE2 3.87Å; I498-F500 HydrophobicContact CB-CZ 4.45Å; I498-F500 HydrophobicContact CG2-CD2 4.08Å; I498-F500 HydrophobicContact CG2-CE2 3.44Å; I498-F500 VanDerWaalsContact CG2-CE2 3.44Å; I498-F500 HydrophobicContact CG2-CZ 3.73Å; F500-V551 HydrophobicContact CD1-CB 4.2Å; F500-V551 HydrophobicContact CD1-CG2 4.43Å; F500-V551 HydrophobicContact CE1-CB 4.49Å; F500-V551 HydrophobicContact CE1-CG2 4.3Å; F500-F553 HydrophobicContact CB-CE2 4.07Å; F500-F553 AromaticContact CD1-CE2 3.77Å; F500-F553 HydrophobicContact CD1-CE2 3.77Å; F500-F553 AromaticContact CD1-CZ 3.87Å; F500-F553 HydrophobicContact CD1-CZ 3.87Å; F500-F553 HydrophobicContact CG-CE2 4.39Å; F500-L557 HydrophobicContact CB-CD2 3.98Å; F500-P569 HydrophobicContact CB-CG 4.08Å; F500-P569 HydrophobicContact CD1-CB 4.03Å; F500-P569 HydrophobicContact CD1-CG 3.89Å; F500-P569 HydrophobicContact CD2-CG 3.52Å; F500-P569 HydrophobicContact CE1-CB 4.4Å; F500-P569 HydrophobicContact CE1-CG 4.23Å; F500-P569 HydrophobicContact CE2-CG 3.89Å; F500-P569 HydrophobicContact CG-CB 4.13Å; F500-P569 HydrophobicContact CG-CG 3.54Å; F500-P569 HydrophobicContact CZ-CG 4.24Å; F500-Y570 HydrophobicContact CZ-CD2 4.18Å; F500-F573 AromaticContact CD1-CD2 3.8Å; F500-F573 HydrophobicContact CD1-CD2 3.8Å; F500-F573 HydrophobicContact CD1-CE2 4.1Å; F500-F573 HydrophobicContact CE1-CD2 4.02Å |
| 501 | I | 88.3 | Confident | 66.9 | Low | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 119.4 | -167.6 | -50.8 | -175.6 | 0 | 0 | 0 | 111.1 | I470 I480 I503 I530 F550 V551 F552 F553 | I470-I501 HydrophobicContact CG2-CD1 3.73Å; I470-I501 HydrophobicContact CG2-CG1 4.3Å; I480-I501 HydrophobicContact CB-CG2 4.37Å; I480-I501 HydrophobicContact CD1-CG2 4.06Å; I480-I501 HydrophobicContact CG1-CG2 3.89Å; I480-I501 HydrophobicContact CG2-CG2 3.66Å; I501-I503 HydrophobicContact CG2-CG2 3.96Å; I501-I530 HydrophobicContact CD1-CD1 3.63Å; I501-F550 HydrophobicContact CD1-CD1 3.83Å; I501-F550 HydrophobicContact CD1-CE1 4.46Å; I501-V551 PolarHBondContact N-O 2.87Å; I501-F552 HydrophobicContact CB-CD1 4.02Å; I501-F552 HydrophobicContact CB-CE1 4.32Å; I501-F552 HydrophobicContact CD1-CD1 4.38Å; I501-F552 HydrophobicContact CD1-CE1 3.84Å; I501-F552 HydrophobicContact CD1-CZ 4.39Å; I501-F552 HydrophobicContact CG2-CD1 4.24Å; I501-F552 HydrophobicContact CG2-CE1 4.37Å; I501-F552 WeakPolarHBondContact O-CA 3.42Å; I501-F553 PolarHBondContact O-N 3.32Å |
| 502 | E | 86.9 | Confident | 66.4 | Low | 2 Ų | 2 | 78.5 Ų | 78.5 | 1% | 0.009 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 124.7 | 169.4 | -179.3 | -178.6 | -179.2 | 0 | 0 | 110.1 | I480 R481 N482 S556 L557 | I480-E502 WeakPolarHBondContact CA-O 3.5Å; R481-E502 HydrophobicContact CB-CB 4.28Å; R481-E502 HydrophobicContact CB-CG 3.92Å; R481-E502 VanDerWaalsContact CD-CD 3.46Å; R481-E502 WeakPolarHBondContact CD-OE1 3.43Å; R481-E502 HydrophobicContact CG-CG 4.45Å; R481-E502 IonicContact CZ-OE1 3.11Å; R481-E502 PolarHBondContact N-O 2.87Å; R481-E502 IonicContact NE-OE1 2.74Å; R481-E502 IonicContact NH1-OE1 3.98Å; R481-E502 PolarHBondContact NH1-OE1 3.27Å; N482-E502 HydrophobicContact CB-CB 4.17Å; N482-E502 PolarHBondContact ND2-OE2 2.98Å; N482-E502 PolarHBondContact O-N 2.95Å; E502-S556 VanDerWaalsContact CD-CA 3.42Å; E502-S556 WeakPolarHBondContact OE1-CA 3.25Å; E502-S556 WeakPolarHBondContact OE1-CB 3.46Å; E502-S556 PolarHBondContact OE1-OG 3.23Å; E502-L557 HydrophobicContact CB-CD1 4.42Å; E502-L557 HydrophobicContact CB-CG 4.21Å |
| 503 | I | 85.4 | Confident | 65.8 | Low | 4 Ų | 4 | 82.3 Ų | 82.3 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 137.4 | 179.7 | 51.7 | 172.3 | 0 | 0 | 0 | 113.5 | L478 K479 I480 I501 L518 F552 F553 | L478-I503 HydrophobicContact CD1-CD1 4.23Å; L478-I503 HydrophobicContact CD2-CB 4.26Å; L478-I503 HydrophobicContact CD2-CD1 4.29Å; K479-I503 CarbonylContact O-C 3.59Å; K479-I503 WeakPolarHBondContact O-CA 3.38Å; I480-I503 HydrophobicContact CG1-CG2 3.83Å; I501-I503 HydrophobicContact CG2-CG2 3.96Å; I503-L518 HydrophobicContact CD1-CD1 3.82Å; I503-L518 HydrophobicContact CD1-CD2 3.76Å; I503-L518 HydrophobicContact CD1-CG 4.43Å; I503-L518 HydrophobicContact CG1-CD1 4.26Å; I503-L518 HydrophobicContact CG1-CD2 4.49Å; I503-F552 HydrophobicContact CD1-CB 3.98Å; I503-F552 HydrophobicContact CD1-CD1 4.05Å; I503-F552 HydrophobicContact CD1-CG 4.35Å; I503-F552 HydrophobicContact CG2-CD1 4.29Å; I503-F553 VanDerWaalsContact CG1-O 3.31Å; I503-F553 WeakPolarHBondContact CG1-O 3.25Å; I503-F553 PolarHBondContact N-O 3.08Å |
| 504 | E | 78.4 | Confident | 65.1 | Low | 51 Ų | 51 | 80.2 Ų | 80.2 | 24% | 0.238 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 118.2 | -178.1 | 174 | 169.9 | -138.3 | 0 | 0 | 110.9 | L478 K479 R481 | L478-E504 CarbonylContact C-O 3.58Å; L478-E504 WeakPolarHBondContact CA-O 3.4Å; K479-E504 HydrophobicContact CB-CB 4.48Å; K479-E504 PolarHBondContact N-O 2.77Å; K479-E504 PolarHBondContact O-N 3.12Å; R481-E504 HydrophobicContact CG-CB 4.2Å; R481-E504 IonicContact CZ-OE1 3.88Å; R481-E504 IonicContact CZ-OE2 2.75Å; R481-E504 IonicContact NE-OE1 3.23Å; R481-E504 IonicContact NE-OE2 3.38Å; R481-E504 PolarHBondContact NE-OE2 3.15Å; R481-E504 IonicContact NH2-OE1 3.07Å; R481-E504 PolarHBondContact NH2-OE1 3.13Å; R481-E504 IonicContact NH2-OE2 3.27Å; R481-E504 PolarHBondContact NH2-OE2 3.09Å |
| 505 | P | 72.2 | Confident | 64 | Low | 65 Ų | 65 | 78.5 Ų | 78.5 | 42% | 0.422 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 136.1 | 173.5 | -23 | 34.2 | 0 | 0 | 0 | 112.1 | L478 S507 | L478-P505 HydrophobicContact CD2-CB 4.31Å; L478-P505 HydrophobicContact CD2-CG 4.06Å; P505-S507 VanDerWaalsContact C-N 3.29Å; P505-S507 PolarHBondContact O-N 3.41Å |
| 506 | H | 69.2 | Low | 62.5 | Low | 119 Ų | 119 | 81.8 Ų | 81.8 | 55% | 0.551 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -69.8 | -20 | -179.9 | -80.4 | 29.1 | 0 | 0 | 0 | 114.4 | S477 K479 | S477-H506 PolarHBondContact O-N 2.93Å; K479-H506 PolarHBondContact N-CE1 3.39Å; K479-H506 VanDerWaalsContact N-CE1 3.25Å; K479-H506 PolarHBondContact N-ND1 3.07Å |
| 507 | S | 57.1 | Low | 60.6 | Low | 65 Ų | 65 | 86.4 Ų | 86.4 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | trans | -125 | 129.5 | -170.8 | 62.6 | 0 | 0 | 0 | 0 | 113.9 | P505 K509 | P505-S507 VanDerWaalsContact C-N 3.29Å; P505-S507 PolarHBondContact O-N 3.41Å; S507-K509 PolarHBondContact O-N 2.92Å | ||
| 508 | H | 48.3 | Very low | 58.9 | Low | 187 Ų | 187 | 87.7 Ų | 87.7 | 87% | 0.866 | 44% | 0.436 | S | S | * | . | trans | -75.4 | 7.8 | 175.5 | -77.9 | -64.9 | 0 | 0 | 0 | 114.4 | F510 | H508-F510 PolarHBondContact O-N 2.64Å; H508-F510 VanDerWaalsContact O-N 3.11Å | ||
| 509 | K | 41.9 | Very low | 57.2 | Low | 204 Ų | 204 | 90.1 Ų | 90.1 | 89% | 0.887 | 45% | 0.454 | S | S | * | . | trans | -74.5 | 7.9 | -176.8 | -81.5 | -167.8 | 172.9 | -174.3 | 0 | 114.9 | S507 | S507-K509 PolarHBondContact O-N 2.92Š| ||
| 510 | F | 41 | Very low | 55.6 | Low | 135 Ų | 135 | 98.6 Ų | 98.6 | 59% | 0.592 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -85.3 | 144.4 | 172.8 | -77.2 | -82.5 | 0 | 0 | 0 | 111.9 | H508 | H508-F510 PolarHBondContact O-N 2.64Å; H508-F510 VanDerWaalsContact O-N 3.11Å |
| 511 | S | 33.2 | Very low | 54.2 | Low | 101 Ų | 101 | 102.2 Ų | 102.2 | 71% | 0.706 | 51% | 0.513 | S | S | * | . | trans | -68.3 | 170.4 | -168.6 | 60.7 | 0 | 0 | 0 | 0 | 114 | K513 | S511-K513 PolarHBondContact O-N 3.05Š| ||
| 512 | R | 33.6 | Very low | 53.2 | Low | 262 Ų | 262 | 105.9 Ų | 105.9 | 99% | 0.989 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -60.5 | 16.8 | -173.7 | -76.9 | 177.8 | 164.2 | 158 | -6.8 | 116.8 | ||
| 513 | K | 33.5 | Very low | 52.4 | Low | 177 Ų | 177 | 109 Ų | 109 | 77% | 0.77 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -131.1 | 113.8 | 170.2 | -70.9 | 178.8 | -179.8 | 172.5 | 0 | 109.3 | S511 S515 | S511-K513 PolarHBondContact O-N 3.05Å; K513-S515 PolarHBondContact O-N 3.26Å |
| 514 | P | 35.1 | Very low | 52 | Low | 125 Ų | 125 | 115.6 Ų | 115.6 | 81% | 0.812 | 57% | 0.569 | S | S | * | * | trans | -68.9 | 103.2 | 174.2 | 28.3 | -32.9 | 0 | 0 | 0 | 109.4 | I516 | P514-I516 PolarHBondContact O-N 3.33Š| ||
| 515 | S | 35.4 | Very low | 52.1 | Low | 83 Ų | 83 | 117.1 Ų | 117.1 | 58% | 0.58 | 58% | 0.576 | S | S | * | * | trans | -62.4 | 123.2 | 173.9 | 46.8 | 0 | 0 | 0 | 0 | 109.7 | K513 F517 N554 | K513-S515 PolarHBondContact O-N 3.26Å; S515-F517 PolarHBondContact O-N 3.3Å; S515-F517 VanDerWaalsContact O-N 3.13Å; S515-N554 PolarHBondContact O-ND2 3.24Å | ||
| 516 | I | 38.6 | Very low | 52.5 | Low | 103 Ų | 103 | 114.1 Ų | 114.1 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -61 | -26.2 | -176.3 | -68.2 | 171.2 | 0 | 0 | 0 | 111.2 | P514 N554 | P514-I516 PolarHBondContact O-N 3.33Å; I516-N554 PolarHBondContact O-ND2 2.9Å; I516-N554 VanDerWaalsContact O-ND2 3.08Å |
| 517 | F | 41.6 | Very low | 53.4 | Low | 115 Ų | 115 | 112.5 Ų | 112.5 | 50% | 0.504 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -107.4 | 120.9 | 178.2 | -58.8 | -85.2 | 0 | 0 | 0 | 111.5 | S515 | S515-F517 PolarHBondContact O-N 3.3Å; S515-F517 VanDerWaalsContact O-N 3.13Å |
| 518 | L | 50.1 | Low | 54.9 | Low | 26 Ų | 26 | 115.9 Ų | 115.9 | 14% | 0.136 | 55% | 0.551 | C | S | . | * | trans | -62.3 | 141.3 | 155.1 | -61.8 | 103.8 | 0 | 0 | 0 | 108.8 | L478 I503 N554 | L478-L518 HydrophobicContact CD1-CD2 4.31Å; L478-L518 HydrophobicContact CD2-CD2 3.84Å; I503-L518 HydrophobicContact CD1-CD1 3.82Å; I503-L518 HydrophobicContact CD1-CD2 3.76Å; I503-L518 HydrophobicContact CD1-CG 4.43Å; I503-L518 HydrophobicContact CG1-CD1 4.26Å; I503-L518 HydrophobicContact CG1-CD2 4.49Å; L518-N554 HydrophobicContact CD1-CB 3.91Å | ||
| 519 | S | 53.3 | Low | 56.9 | Low | 63 Ų | 63 | 110.2 Ų | 110.2 | 44% | 0.441 | 52% | 0.523 | S | S | . | . | trans | -59.5 | 152.4 | 178.5 | 79.9 | 0 | 0 | 0 | 0 | 111.8 | S521 Y522 | S519-S521 PolarHBondContact O-N 2.62Å; S519-S521 VanDerWaalsContact O-N 3.15Å; S519-Y522 PolarHBondContact O-N 3.12Å; S519-Y522 VanDerWaalsContact O-N 3.08Å; S519-Y522 VanDerWaalsContact OG-CD2 3.22Å; S519-Y522 WeakPolarHBondContact OG-CD2 3.03Å | ||
| 520 | Y | 56.5 | Low | 59.2 | Low | 179 Ų | 179 | 100.6 Ų | 100.6 | 70% | 0.702 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -53.1 | -37.1 | -177.9 | 177.2 | -93.4 | 0 | 0 | 0 | 112.7 | Y522 K523 K524 | Y520-Y522 PolarHBondContact O-N 3.27Å; Y520-K523 PolarHBondContact O-N 3.35Å; Y520-K524 HydrophobicContact CE1-CD 4.12Å; Y520-K524 PolarHBondContact O-N 3.45Å |
| 521 | S | 59.4 | Low | 61.7 | Low | 80 Ų | 80 | 96.3 Ų | 96.3 | 56% | 0.559 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -56.4 | -48.5 | 176.3 | -174.6 | 0 | 0 | 0 | 0 | 112.7 | S519 K523 K524 H525 | S519-S521 PolarHBondContact O-N 2.62Å; S519-S521 VanDerWaalsContact O-N 3.15Å; S521-K523 VanDerWaalsContact C-N 3.29Å; S521-K523 PolarHBondContact O-N 2.74Å; S521-K524 PolarHBondContact O-N 3.49Å; S521-H525 VanDerWaalsContact O-CB 3.32Å; S521-H525 WeakPolarHBondContact O-CB 3.45Å; S521-H525 PolarHBondContact O-N 2.99Å |
| 522 | Y | 66.8 | Low | 64.5 | Low | 78 Ų | 78 | 97.5 Ų | 97.5 | 31% | 0.306 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.1 | -39 | 178.3 | -74.3 | -68.7 | 0 | 0 | 0 | 112.6 | L478 S519 Y520 T526 | L478-Y522 HydrophobicContact CD1-CD1 3.89Å; L478-Y522 HydrophobicContact CD1-CG 4.35Å; S519-Y522 PolarHBondContact O-N 3.12Å; S519-Y522 VanDerWaalsContact O-N 3.08Å; S519-Y522 VanDerWaalsContact OG-CD2 3.22Å; S519-Y522 WeakPolarHBondContact OG-CD2 3.03Å; Y520-Y522 PolarHBondContact O-N 3.27Å; Y522-T526 VanDerWaalsContact O-CB 3.27Å; Y522-T526 WeakPolarHBondContact O-CB 3.42Å; Y522-T526 PolarHBondContact O-N 3.23Å; Y522-T526 PolarHBondContact O-OG1 3.13Å |
| 523 | K | 70.1 | Confident | 67.2 | Low | 66 Ų | 66 | 88.2 Ų | 88.2 | 29% | 0.287 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.1 | -44.1 | 177.9 | -64.3 | -172.3 | 179.1 | -171.6 | 0 | 111.7 | Y520 S521 K527 F552 | Y520-K523 PolarHBondContact O-N 3.35Å; S521-K523 VanDerWaalsContact C-N 3.29Å; S521-K523 PolarHBondContact O-N 2.74Å; K523-K527 VanDerWaalsContact O-CB 3.31Å; K523-K527 WeakPolarHBondContact O-CB 3.4Å; K523-K527 PolarHBondContact O-N 2.84Å; K523-F552 HydrophobicContact CB-CD2 4.19Å; K523-F552 HydrophobicContact CB-CE2 4.46Å; K523-F552 HydrophobicContact CD-CD2 4.4Å; K523-F552 HydrophobicContact CG-CB 4.46Å; K523-F552 HydrophobicContact CG-CD2 4.14Å |
| 524 | K | 76.6 | Confident | 70.1 | Confident | 143 Ų | 143 | 79.8 Ų | 79.8 | 62% | 0.622 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.1 | -45.9 | 176.4 | -170.9 | 173.2 | -179.2 | 175.7 | 0 | 111.4 | Y520 S521 W528 | Y520-K524 HydrophobicContact CE1-CD 4.12Å; Y520-K524 PolarHBondContact O-N 3.45Å; S521-K524 PolarHBondContact O-N 3.49Å; K524-W528 PolarHBondContact O-N 3.24Å |
| 525 | H | 79.9 | Confident | 72.9 | Confident | 83 Ų | 83 | 78.4 Ų | 78.4 | 38% | 0.384 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 179.9 | -162.4 | 76.9 | 0 | 0 | 0 | 112.2 | S521 W528 Y529 | S521-H525 VanDerWaalsContact O-CB 3.32Å; S521-H525 WeakPolarHBondContact O-CB 3.45Å; S521-H525 PolarHBondContact O-N 2.99Å; H525-W528 WeakPolarHBondContact O-CB 3.14Å; H525-W528 PolarHBondContact O-N 2.88Å; H525-Y529 AromaticContact CD2-CE2 3.88Å; H525-Y529 AromaticContact CE1-CE2 3.9Å; H525-Y529 AromaticContact NE2-CE2 3.44Å; H525-Y529 WeakPolarHBondContact NE2-CE2 3.47Å; H525-Y529 PolarHBondContact O-N 3.01Å |
| 526 | T | 82.1 | Confident | 75.6 | Confident | 2 Ų | 2 | 82 Ų | 82 | 1% | 0.012 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 177.4 | -51.7 | 0 | 0 | 0 | 0 | 111.6 | L478 Y522 W528 Y529 I530 F552 | L478-T526 VanDerWaalsContact CD1-OG1 3.27Å; L478-T526 WeakPolarHBondContact CD1-OG1 3.47Å; Y522-T526 VanDerWaalsContact O-CB 3.27Å; Y522-T526 WeakPolarHBondContact O-CB 3.42Å; Y522-T526 PolarHBondContact O-N 3.23Å; Y522-T526 PolarHBondContact O-OG1 3.13Å; T526-W528 VanDerWaalsContact C-N 3.3Å; T526-W528 PolarHBondContact O-N 2.89Å; T526-Y529 PolarHBondContact O-N 2.8Å; T526-I530 HydrophobicContact CG2-CD1 4.01Å; T526-I530 WeakPolarHBondContact O-CD1 3.32Å; T526-I530 WeakPolarHBondContact O-CG1 3.43Å; T526-I530 PolarHBondContact O-N 2.95Å; T526-F552 HydrophobicContact CG2-CD1 4.47Å; T526-F552 HydrophobicContact CG2-CE1 3.72Å; T526-F552 HydrophobicContact CG2-CZ 4.29Å |
| 527 | K | 87.5 | Confident | 78 | Confident | 85 Ų | 85 | 78.8 Ų | 78.8 | 37% | 0.37 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.4 | -41.6 | 172.2 | -178.8 | 176 | 175.3 | 178 | 0 | 111.5 | K523 I530 L531 F550 F552 | K523-K527 VanDerWaalsContact O-CB 3.31Å; K523-K527 WeakPolarHBondContact O-CB 3.4Å; K523-K527 PolarHBondContact O-N 2.84Å; K527-I530 PolarHBondContact O-N 2.7Å; K527-L531 HydrophobicContact CD-CD1 4.45Å; K527-L531 HydrophobicContact CG-CD1 3.87Å; K527-L531 HydrophobicContact CG-CG 4.32Å; K527-L531 WeakPolarHBondContact O-CB 3.28Å; K527-L531 VanDerWaalsContact O-CG 3.3Å; K527-L531 WeakPolarHBondContact O-CG 3.48Å; K527-L531 PolarHBondContact O-N 3.14Å; K527-F550 HydrophobicContact CD-CD2 3.87Å; K527-F550 HydrophobicContact CD-CE2 4.19Å; K527-F550 HydrophobicContact CD-CG 4.48Å; K527-F550 HydrophobicContact CG-CD2 4Å; K527-F550 HydrophobicContact CG-CE2 4.05Å; K527-F550 HydrophobicContact CG-CG 4.37Å; K527-F550 HydrophobicContact CG-CZ 4.46Å; K527-F552 HydrophobicContact CB-CE2 4.36Å; K527-F552 HydrophobicContact CB-CZ 4.22Å |
| 528 | W | 88.1 | Confident | 80.4 | Confident | 136 Ų | 136 | 74 Ų | 74 | 52% | 0.515 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 176.4 | -179.6 | 92.1 | 0 | 0 | 0 | 112.7 | K524 H525 T526 I530 L531 K532 | K524-W528 PolarHBondContact O-N 3.24Å; H525-W528 WeakPolarHBondContact O-CB 3.14Å; H525-W528 PolarHBondContact O-N 2.88Å; T526-W528 VanDerWaalsContact C-N 3.3Å; T526-W528 PolarHBondContact O-N 2.89Å; W528-I530 PolarHBondContact O-N 2.87Å; W528-L531 PolarHBondContact O-N 3.42Å; W528-K532 HydrophobicContact CH2-CD 3.61Å; W528-K532 HydrophobicContact CZ2-CD 3.9Å; W528-K532 HydrophobicContact CZ3-CD 4.02Å; W528-K532 WeakPolarHBondContact O-CB 3.37Å; W528-K532 PolarHBondContact O-N 2.81Å |
| 529 | Y | 89.9 | Confident | 82.2 | Confident | 69 Ų | 69 | 77.6 Ų | 77.6 | 27% | 0.271 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 176.5 | -93.1 | -88.6 | 0 | 0 | 0 | 112.3 | H525 T526 K532 K533 | H525-Y529 AromaticContact CD2-CE2 3.88Å; H525-Y529 AromaticContact CE1-CE2 3.9Å; H525-Y529 AromaticContact NE2-CE2 3.44Å; H525-Y529 WeakPolarHBondContact NE2-CE2 3.47Å; H525-Y529 PolarHBondContact O-N 3.01Å; T526-Y529 PolarHBondContact O-N 2.8Å; Y529-K532 PolarHBondContact O-N 2.97Å; Y529-K533 WeakPolarHBondContact O-CB 3.3Å; Y529-K533 PolarHBondContact O-N 2.98Å |
| 530 | I | 91.4 | Very high | 83.7 | Confident | 1 Ų | 1 | 79.3 Ų | 79.3 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.6 | -51.2 | 176.6 | -63.6 | 159.5 | 0 | 0 | 0 | 110.4 | I470 C473 I480 I501 T526 K527 W528 K532 K533 L534 F550 F552 | I470-I530 HydrophobicContact CG1-CG2 3.85Å; I470-I530 HydrophobicContact CG2-CD1 4.39Å; I470-I530 HydrophobicContact CG2-CG1 4.49Å; I470-I530 HydrophobicContact CG2-CG2 4.32Å; C473-I530 HydrophobicContact CB-CG1 4.18Å; I480-I530 HydrophobicContact CD1-CD1 3.82Å; I480-I530 HydrophobicContact CD1-CG1 3.84Å; I501-I530 HydrophobicContact CD1-CD1 3.63Å; T526-I530 HydrophobicContact CG2-CD1 4.01Å; T526-I530 WeakPolarHBondContact O-CD1 3.32Å; T526-I530 WeakPolarHBondContact O-CG1 3.43Å; T526-I530 PolarHBondContact O-N 2.95Å; K527-I530 PolarHBondContact O-N 2.7Å; W528-I530 PolarHBondContact O-N 2.87Å; I530-K532 VanDerWaalsContact C-N 3.34Å; I530-K532 PolarHBondContact O-N 2.67Å; I530-K533 PolarHBondContact O-N 2.93Å; I530-K533 VanDerWaalsContact O-N 3.16Å; I530-L534 HydrophobicContact CG2-CD1 3.72Å; I530-L534 HydrophobicContact CG2-CG 4.1Å; I530-L534 WeakPolarHBondContact O-CB 3.21Å; I530-L534 VanDerWaalsContact O-CG 3.31Å; I530-L534 WeakPolarHBondContact O-CG 3.27Å; I530-L534 PolarHBondContact O-N 2.88Å; I530-F550 HydrophobicContact CB-CE1 4.35Å; I530-F550 HydrophobicContact CD1-CD1 4.38Å; I530-F550 HydrophobicContact CD1-CE1 4.34Å; I530-F550 HydrophobicContact CG2-CE1 3.78Å; I530-F550 HydrophobicContact CG2-CZ 4.41Å; I530-F552 HydrophobicContact CD1-CE1 3.8Å; I530-F552 HydrophobicContact CD1-CZ 3.99Å |
| 531 | L | 93 | Very high | 85.2 | Confident | 45 Ų | 45 | 74.5 Ų | 74.5 | 24% | 0.236 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 178.9 | -71.9 | 173.8 | 0 | 0 | 0 | 111.8 | K527 W528 K533 L534 K535 L546 F550 | K527-L531 HydrophobicContact CD-CD1 4.45Å; K527-L531 HydrophobicContact CG-CD1 3.87Å; K527-L531 HydrophobicContact CG-CG 4.32Å; K527-L531 WeakPolarHBondContact O-CB 3.28Å; K527-L531 VanDerWaalsContact O-CG 3.3Å; K527-L531 WeakPolarHBondContact O-CG 3.48Å; K527-L531 PolarHBondContact O-N 3.14Å; W528-L531 PolarHBondContact O-N 3.42Å; L531-K533 PolarHBondContact O-N 3.37Å; L531-L534 PolarHBondContact O-N 2.84Å; L531-K535 WeakPolarHBondContact O-CB 3.34Å; L531-K535 VanDerWaalsContact O-CG 3.29Å; L531-K535 WeakPolarHBondContact O-CG 3.47Å; L531-K535 PolarHBondContact O-N 2.98Å; L531-L546 HydrophobicContact CD2-CD2 4.01Å; L531-F550 HydrophobicContact CD2-CE2 4.19Å; L531-F550 HydrophobicContact CD2-CZ 3.86Å; L531-F550 HydrophobicContact CG-CZ 4.19Å |
| 532 | K | 92.1 | Very high | 86.7 | Confident | 126 Ų | 126 | 72.8 Ų | 72.8 | 55% | 0.548 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 175.5 | -175.7 | 174 | 179.6 | 177.2 | 0 | 111.9 | W528 Y529 I530 F536 | W528-K532 HydrophobicContact CH2-CD 3.61Å; W528-K532 HydrophobicContact CZ2-CD 3.9Å; W528-K532 HydrophobicContact CZ3-CD 4.02Å; W528-K532 WeakPolarHBondContact O-CB 3.37Å; W528-K532 PolarHBondContact O-N 2.81Å; Y529-K532 PolarHBondContact O-N 2.97Å; I530-K532 VanDerWaalsContact C-N 3.34Å; I530-K532 PolarHBondContact O-N 2.67Å; K532-F536 WeakPolarHBondContact O-CB 3.39Å; K532-F536 PolarHBondContact O-N 3.32Å; K532-F536 VanDerWaalsContact O-N 3.09Å |
| 533 | K | 91.3 | Very high | 87.7 | Confident | 67 Ų | 67 | 74.1 Ų | 74.1 | 29% | 0.291 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.1 | -41.7 | 177.7 | -177.8 | 59.1 | 174.8 | 170.5 | 0 | 112.1 | V469 C473 Y529 I530 L531 F536 V537 | V469-K533 HydrophobicContact CG1-CG 4.14Å; C473-K533 VanDerWaalsContact SG-CB 3.55Å; C473-K533 VanDerWaalsContact SG-CG 3.55Å; Y529-K533 WeakPolarHBondContact O-CB 3.3Å; Y529-K533 PolarHBondContact O-N 2.98Å; I530-K533 PolarHBondContact O-N 2.93Å; I530-K533 VanDerWaalsContact O-N 3.16Å; L531-K533 PolarHBondContact O-N 3.37Å; K533-F536 PolarHBondContact O-N 3.17Å; K533-V537 HydrophobicContact CD-CG2 3.87Å; K533-V537 HydrophobicContact CG-CG2 4.39Å; K533-V537 WeakPolarHBondContact O-CB 3.31Å; K533-V537 VanDerWaalsContact O-CG2 3.29Å; K533-V537 WeakPolarHBondContact O-CG2 3.34Å; K533-V537 PolarHBondContact O-N 2.86Å |
| 534 | L | 93.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 175.7 | -69.7 | 174.1 | 0 | 0 | 0 | 111.6 | L466 V469 I470 I530 L531 F536 V537 F538 L546 P547 | L466-L534 HydrophobicContact CD1-CD1 4.11Å; L466-L534 HydrophobicContact CD1-CD2 3.44Å; L466-L534 VanDerWaalsContact CD1-CD2 3.44Å; L466-L534 HydrophobicContact CD1-CG 4.45Å; V469-L534 HydrophobicContact CB-CD2 4.21Å; V469-L534 HydrophobicContact CG1-CD2 3.75Å; I470-L534 HydrophobicContact CG1-CD1 4.41Å; I470-L534 HydrophobicContact CG1-CD2 4.23Å; I530-L534 HydrophobicContact CG2-CD1 3.72Å; I530-L534 HydrophobicContact CG2-CG 4.1Å; I530-L534 WeakPolarHBondContact O-CB 3.21Å; I530-L534 VanDerWaalsContact O-CG 3.31Å; I530-L534 WeakPolarHBondContact O-CG 3.27Å; I530-L534 PolarHBondContact O-N 2.88Å; L531-L534 PolarHBondContact O-N 2.84Å; L534-F536 VanDerWaalsContact C-N 3.34Å; L534-F536 PolarHBondContact O-N 2.94Å; L534-V537 PolarHBondContact O-N 2.9Å; L534-F538 HydrophobicContact CD2-CD2 4.17Å; L534-F538 HydrophobicContact CD2-CE2 3.75Å; L534-F538 WeakPolarHBondContact O-CD2 3.48Å; L534-F538 PolarHBondContact O-N 2.88Å; L534-L546 HydrophobicContact CB-CD2 3.98Å; L534-L546 HydrophobicContact CD1-CD2 4.44Å; L534-P547 HydrophobicContact CD1-CG 4.32Å |
| 535 | K | 93.1 | Very high | 89.4 | Confident | 97 Ų | 97 | 65.7 Ų | 65.7 | 42% | 0.422 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -55 | -49.7 | 175.5 | -71.7 | -155.9 | 173.3 | -143.1 | 0 | 111.3 | L531 T539 H542 L546 | L531-K535 WeakPolarHBondContact O-CB 3.34Å; L531-K535 VanDerWaalsContact O-CG 3.29Å; L531-K535 WeakPolarHBondContact O-CG 3.47Å; L531-K535 PolarHBondContact O-N 2.98Å; K535-T539 PolarHBondContact O-N 3.46Å; K535-T539 VanDerWaalsContact O-N 3.14Å; K535-T539 PolarHBondContact O-OG1 3.09Å; K535-H542 WeakPolarHBondContact CE-NE2 3.43Å; K535-H542 PolarHBondContact NZ-NE2 3.36Å; K535-L546 HydrophobicContact CG-CD2 4.26Å |
| 536 | F | 92.8 | Very high | 90 | Very high | 158 Ų | 158 | 62.9 Ų | 62.9 | 69% | 0.693 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.1 | -46.2 | 178.7 | 179.7 | -94 | 0 | 0 | 0 | 113.6 | K532 K533 L534 F538 T539 | K532-F536 WeakPolarHBondContact O-CB 3.39Å; K532-F536 PolarHBondContact O-N 3.32Å; K532-F536 VanDerWaalsContact O-N 3.09Å; K533-F536 PolarHBondContact O-N 3.17Å; L534-F536 VanDerWaalsContact C-N 3.34Å; L534-F536 PolarHBondContact O-N 2.94Å; F536-F538 VanDerWaalsContact C-N 3.34Å; F536-F538 PolarHBondContact O-N 3.01Å; F536-T539 PolarHBondContact O-OG1 3.29Å |
| 537 | V | 90.2 | Very high | 90.3 | Very high | 36 Ų | 36 | 63.2 Ų | 63.2 | 22% | 0.218 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72.4 | -26.2 | -175.5 | 169.3 | 0 | 0 | 0 | 0 | 113 | L365 V469 K533 L534 | L365-V537 HydrophobicContact CD2-CG1 4.03Å; L365-V537 HydrophobicContact CD2-CG2 4.06Å; V469-V537 HydrophobicContact CG1-CB 4.07Å; V469-V537 HydrophobicContact CG1-CG1 4.06Å; V469-V537 HydrophobicContact CG1-CG2 4.05Å; V469-V537 HydrophobicContact CG2-CG1 3.81Å; K533-V537 HydrophobicContact CD-CG2 3.87Å; K533-V537 HydrophobicContact CG-CG2 4.39Å; K533-V537 WeakPolarHBondContact O-CB 3.31Å; K533-V537 VanDerWaalsContact O-CG2 3.29Å; K533-V537 WeakPolarHBondContact O-CG2 3.34Å; K533-V537 PolarHBondContact O-N 2.86Å; L534-V537 PolarHBondContact O-N 2.9Å |
| 538 | F | 90.6 | Very high | 90.3 | Very high | 14 Ų | 14 | 61.7 Ų | 61.7 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 21.3 | -178.4 | -59 | -66.1 | 0 | 0 | 0 | 113.2 | R465 V469 L534 F536 P540 N541 H542 W545 | R465-F538 HydrophobicContact CG-CE1 4.39Å; R465-F538 HydrophobicContact CG-CZ 4.31Å; V469-F538 HydrophobicContact CB-CE2 4.29Å; V469-F538 HydrophobicContact CB-CZ 4.44Å; V469-F538 HydrophobicContact CG1-CE2 4.25Å; V469-F538 HydrophobicContact CG2-CE2 4.18Å; V469-F538 HydrophobicContact CG2-CZ 3.9Å; L534-F538 HydrophobicContact CD2-CD2 4.17Å; L534-F538 HydrophobicContact CD2-CE2 3.75Å; L534-F538 WeakPolarHBondContact O-CD2 3.48Å; L534-F538 PolarHBondContact O-N 2.88Å; F536-F538 VanDerWaalsContact C-N 3.34Å; F536-F538 PolarHBondContact O-N 3.01Å; F538-P540 CarbonylContact O-C 3.58Å; F538-N541 CarbonylContact O-C 3.54Å; F538-N541 PolarHBondContact O-N 3.09Å; F538-N541 VanDerWaalsContact O-N 3.15Å; F538-H542 HydrophobicContact CB-CB 4.04Å; F538-H542 VanDerWaalsContact O-CA 3.28Å; F538-H542 WeakPolarHBondContact O-CA 3.46Å; F538-H542 WeakPolarHBondContact O-CB 3.36Å; F538-H542 PolarHBondContact O-N 2.87Å; F538-W545 HydrophobicContact CB-CB 4.22Å; F538-W545 HydrophobicContact CB-CG 3.86Å; F538-W545 AromaticContact CD1-CD1 3.84Å; F538-W545 AromaticContact CD1-CD2 3.5Å; F538-W545 HydrophobicContact CD1-CD2 3.5Å; F538-W545 AromaticContact CD1-CE2 3.45Å; F538-W545 VanDerWaalsContact CD1-CE2 3.45Å; F538-W545 HydrophobicContact CD1-CE3 4.04Å; F538-W545 AromaticContact CD1-CG 3.75Å; F538-W545 HydrophobicContact CD1-CG 3.75Å; F538-W545 HydrophobicContact CD1-CH2 4.46Å; F538-W545 AromaticContact CD1-CZ2 3.97Å; F538-W545 HydrophobicContact CD1-CZ2 3.97Å; F538-W545 HydrophobicContact CD1-CZ3 4.49Å; F538-W545 AromaticContact CD1-NE1 3.66Å; F538-W545 HydrophobicContact CD2-CB 3.46Å; F538-W545 VanDerWaalsContact CD2-CB 3.46Å; F538-W545 AromaticContact CD2-CD2 3.91Å; F538-W545 HydrophobicContact CD2-CD2 3.91Å; F538-W545 HydrophobicContact CD2-CE3 4.3Å; F538-W545 AromaticContact CD2-CG 3.57Å; F538-W545 HydrophobicContact CD2-CG 3.57Å; F538-W545 AromaticContact CE1-CD2 3.47Å; F538-W545 HydrophobicContact CE1-CD2 3.47Å; F538-W545 VanDerWaalsContact CE1-CD2 3.47Å; F538-W545 AromaticContact CE1-CE2 3.61Å; F538-W545 AromaticContact CE1-CE3 3.49Å; F538-W545 HydrophobicContact CE1-CE3 3.49Å; F538-W545 VanDerWaalsContact CE1-CE3 3.49Å; F538-W545 HydrophobicContact CE1-CG 4.13Å; F538-W545 AromaticContact CE1-CH2 3.82Å; F538-W545 HydrophobicContact CE1-CH2 3.82Å; F538-W545 AromaticContact CE1-CZ2 3.79Å; F538-W545 HydrophobicContact CE1-CZ2 3.79Å; F538-W545 AromaticContact CE1-CZ3 3.67Å; F538-W545 HydrophobicContact CE1-CZ3 3.67Å; F538-W545 HydrophobicContact CE2-CB 3.88Å; F538-W545 AromaticContact CE2-CD2 3.88Å; F538-W545 HydrophobicContact CE2-CD2 3.88Å; F538-W545 AromaticContact CE2-CE3 3.78Å; F538-W545 HydrophobicContact CE2-CE3 3.78Å; F538-W545 AromaticContact CE2-CG 3.97Å; F538-W545 HydrophobicContact CE2-CG 3.97Å; F538-W545 HydrophobicContact CG-CB 3.84Å; F538-W545 AromaticContact CG-CD1 3.6Å; F538-W545 AromaticContact CG-CD2 3.73Å; F538-W545 HydrophobicContact CG-CD2 3.73Å; F538-W545 HydrophobicContact CG-CE3 4.42Å; F538-W545 AromaticContact CG-CG 3.45Å; F538-W545 HydrophobicContact CG-CG 3.45Å; F538-W545 VanDerWaalsContact CG-CG 3.45Å; F538-W545 AromaticContact CG-NE1 3.93Å; F538-W545 AromaticContact CZ-CD2 3.67Å; F538-W545 HydrophobicContact CZ-CD2 3.67Å; F538-W545 AromaticContact CZ-CE3 3.34Å; F538-W545 HydrophobicContact CZ-CE3 3.34Å; F538-W545 HydrophobicContact CZ-CG 4.23Å; F538-W545 HydrophobicContact CZ-CH2 4.35Å; F538-W545 AromaticContact CZ-CZ3 3.73Å; F538-W545 HydrophobicContact CZ-CZ3 3.73Å |
| 539 | T | 87.4 | Confident | 90.1 | Very high | 101 Ų | 101 | 58 Ų | 58 | 62% | 0.62 | 29% | 0.287 | S | S | * | . | trans | -60 | 139.7 | 170.2 | -66.6 | 0 | 0 | 0 | 0 | 110.8 | K535 F536 | K535-T539 PolarHBondContact O-N 3.46Å; K535-T539 VanDerWaalsContact O-N 3.14Å; K535-T539 PolarHBondContact O-OG1 3.09Å; F536-T539 PolarHBondContact O-OG1 3.29Å | ||
| 540 | P | 86.6 | Confident | 89.9 | Confident | 99 Ų | 99 | 56.1 Ų | 56.1 | 64% | 0.643 | 28% | 0.28 | S | S | * | . | S | Bend | cis | -77.4 | -35.8 | -6.3 | 29.9 | -33 | 0 | 0 | 0 | 112.8 | F538 H542 | F538-P540 CarbonylContact O-C 3.58Å; P540-H542 PolarHBondContact O-N 2.85Å; P540-H542 PolarHBondContact O-ND1 3.41Å |
| 541 | N | 88.1 | Confident | 89.4 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -80.4 | 57.2 | -167.3 | -63.6 | -28.2 | 0 | 0 | 0 | 113.2 | Y459 F538 P544 | Y459-N541 HydrophobicContact CE1-CB 3.96Å; Y459-N541 VanDerWaalsContact OH-CG 3.31Å; Y459-N541 PolarHBondContact OH-ND2 3.02Å; F538-N541 CarbonylContact O-C 3.54Å; F538-N541 PolarHBondContact O-N 3.09Å; F538-N541 VanDerWaalsContact O-N 3.15Å; N541-P544 WeakPolarHBondContact O-CD 3.44Å |
| 542 | H | 90.4 | Very high | 88.9 | Confident | 44 Ų | 44 | 57.4 Ų | 57.4 | 20% | 0.204 | 29% | 0.288 | C | S | . | . | trans | -82.1 | -20.3 | -171.9 | 64.7 | -90.3 | 0 | 0 | 0 | 114.2 | K535 F538 P540 P544 W545 | K535-H542 WeakPolarHBondContact CE-NE2 3.43Å; K535-H542 PolarHBondContact NZ-NE2 3.36Å; F538-H542 HydrophobicContact CB-CB 4.04Å; F538-H542 VanDerWaalsContact O-CA 3.28Å; F538-H542 WeakPolarHBondContact O-CA 3.46Å; F538-H542 WeakPolarHBondContact O-CB 3.36Å; F538-H542 PolarHBondContact O-N 2.87Å; P540-H542 PolarHBondContact O-N 2.85Å; P540-H542 PolarHBondContact O-ND1 3.41Å; H542-P544 VanDerWaalsContact C-CD 3.49Å; H542-W545 WeakPolarHBondContact O-CB 3.32Å; H542-W545 PolarHBondContact O-N 3Å | ||
| 543 | Q | 87.6 | Confident | 88.1 | Confident | 106 Ų | 106 | 53.1 Ų | 53.1 | 50% | 0.495 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -57 | -41.9 | -173 | -169.9 | 70.2 | -6.4 | 0 | 0 | 114.5 | F457 W545 L546 | F457-Q543 HydrophobicContact CD2-CG 4.35Å; F457-Q543 HydrophobicContact CE2-CG 4.14Å; Q543-W545 PolarHBondContact O-N 3.38Å; Q543-L546 PolarHBondContact O-N 3.16Å |
| 544 | P | 89.7 | Confident | 87.1 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -59.6 | -34.2 | 174.5 | -22.3 | 33.9 | 0 | 0 | 0 | 113.3 | R456 F457 Y459 I461 N541 H542 L546 | R456-P544 HydrophobicContact CB-CB 4.4Å; R456-P544 WeakPolarHBondContact CD-O 3.39Å; R456-P544 PolarHBondContact NH1-O 3.45Å; F457-P544 HydrophobicContact CB-CG 4.47Å; F457-P544 HydrophobicContact CD2-CB 4.3Å; F457-P544 HydrophobicContact CD2-CG 4.19Å; Y459-P544 HydrophobicContact CD2-CG 3.45Å; Y459-P544 VanDerWaalsContact CD2-CG 3.45Å; Y459-P544 HydrophobicContact CE2-CG 4.31Å; Y459-P544 HydrophobicContact CG-CG 3.83Å; I461-P544 HydrophobicContact CD1-CB 4.11Å; I461-P544 WeakPolarHBondContact CD1-O 3.1Å; I461-P544 HydrophobicContact CG2-CB 3.84Å; N541-P544 WeakPolarHBondContact O-CD 3.44Å; H542-P544 VanDerWaalsContact C-CD 3.49Å; P544-L546 VanDerWaalsContact C-N 3.31Å; P544-L546 PolarHBondContact O-N 3.16Å |
| 545 | W | 91.9 | Very high | 86 | Confident | 30 Ų | 30 | 61.2 Ų | 61.2 | 11% | 0.114 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -81.7 | -3.3 | -174.2 | -57.6 | 90.2 | 0 | 0 | 0 | 114 | I461 R465 L466 F538 H542 Q543 P547 | I461-W545 HydrophobicContact CB-CD2 4.1Å; I461-W545 HydrophobicContact CB-CE3 4Å; I461-W545 HydrophobicContact CB-CH2 3.87Å; I461-W545 HydrophobicContact CB-CZ2 3.97Å; I461-W545 HydrophobicContact CB-CZ3 3.88Å; I461-W545 HydrophobicContact CG2-CD2 3.73Å; I461-W545 HydrophobicContact CG2-CE3 4.16Å; I461-W545 HydrophobicContact CG2-CG 4.26Å; I461-W545 HydrophobicContact CG2-CH2 4.02Å; I461-W545 HydrophobicContact CG2-CZ2 3.57Å; I461-W545 HydrophobicContact CG2-CZ3 4.29Å; R465-W545 HydrophobicContact CB-CZ3 4.18Å; R465-W545 HydrophobicContact CG-CH2 4.47Å; R465-W545 HydrophobicContact CG-CZ3 4.27Å; L466-W545 HydrophobicContact CB-CE3 4.33Å; L466-W545 WeakPolarHBondContact CD1-O 3.48Å; F538-W545 HydrophobicContact CB-CB 4.22Å; F538-W545 HydrophobicContact CB-CG 3.86Å; F538-W545 AromaticContact CD1-CD1 3.84Å; F538-W545 AromaticContact CD1-CD2 3.5Å; F538-W545 HydrophobicContact CD1-CD2 3.5Å; F538-W545 AromaticContact CD1-CE2 3.45Å; F538-W545 VanDerWaalsContact CD1-CE2 3.45Å; F538-W545 HydrophobicContact CD1-CE3 4.04Å; F538-W545 AromaticContact CD1-CG 3.75Å; F538-W545 HydrophobicContact CD1-CG 3.75Å; F538-W545 HydrophobicContact CD1-CH2 4.46Å; F538-W545 AromaticContact CD1-CZ2 3.97Å; F538-W545 HydrophobicContact CD1-CZ2 3.97Å; F538-W545 HydrophobicContact CD1-CZ3 4.49Å; F538-W545 AromaticContact CD1-NE1 3.66Å; F538-W545 HydrophobicContact CD2-CB 3.46Å; F538-W545 VanDerWaalsContact CD2-CB 3.46Å; F538-W545 AromaticContact CD2-CD2 3.91Å; F538-W545 HydrophobicContact CD2-CD2 3.91Å; F538-W545 HydrophobicContact CD2-CE3 4.3Å; F538-W545 AromaticContact CD2-CG 3.57Å; F538-W545 HydrophobicContact CD2-CG 3.57Å; F538-W545 AromaticContact CE1-CD2 3.47Å; F538-W545 HydrophobicContact CE1-CD2 3.47Å; F538-W545 VanDerWaalsContact CE1-CD2 3.47Å; F538-W545 AromaticContact CE1-CE2 3.61Å; F538-W545 AromaticContact CE1-CE3 3.49Å; F538-W545 HydrophobicContact CE1-CE3 3.49Å; F538-W545 VanDerWaalsContact CE1-CE3 3.49Å; F538-W545 HydrophobicContact CE1-CG 4.13Å; F538-W545 AromaticContact CE1-CH2 3.82Å; F538-W545 HydrophobicContact CE1-CH2 3.82Å; F538-W545 AromaticContact CE1-CZ2 3.79Å; F538-W545 HydrophobicContact CE1-CZ2 3.79Å; F538-W545 AromaticContact CE1-CZ3 3.67Å; F538-W545 HydrophobicContact CE1-CZ3 3.67Å; F538-W545 HydrophobicContact CE2-CB 3.88Å; F538-W545 AromaticContact CE2-CD2 3.88Å; F538-W545 HydrophobicContact CE2-CD2 3.88Å; F538-W545 AromaticContact CE2-CE3 3.78Å; F538-W545 HydrophobicContact CE2-CE3 3.78Å; F538-W545 AromaticContact CE2-CG 3.97Å; F538-W545 HydrophobicContact CE2-CG 3.97Å; F538-W545 HydrophobicContact CG-CB 3.84Å; F538-W545 AromaticContact CG-CD1 3.6Å; F538-W545 AromaticContact CG-CD2 3.73Å; F538-W545 HydrophobicContact CG-CD2 3.73Å; F538-W545 HydrophobicContact CG-CE3 4.42Å; F538-W545 AromaticContact CG-CG 3.45Å; F538-W545 HydrophobicContact CG-CG 3.45Å; F538-W545 VanDerWaalsContact CG-CG 3.45Å; F538-W545 AromaticContact CG-NE1 3.93Å; F538-W545 AromaticContact CZ-CD2 3.67Å; F538-W545 HydrophobicContact CZ-CD2 3.67Å; F538-W545 AromaticContact CZ-CE3 3.34Å; F538-W545 HydrophobicContact CZ-CE3 3.34Å; F538-W545 HydrophobicContact CZ-CG 4.23Å; F538-W545 HydrophobicContact CZ-CH2 4.35Å; F538-W545 AromaticContact CZ-CZ3 3.73Å; F538-W545 HydrophobicContact CZ-CZ3 3.73Å; H542-W545 WeakPolarHBondContact O-CB 3.32Å; H542-W545 PolarHBondContact O-N 3Å; Q543-W545 PolarHBondContact O-N 3.38Å; W545-P547 WeakPolarHBondContact O-CD 3.35Å |
| 546 | L | 92.4 | Very high | 85 | Confident | 25 Ų | 25 | 59.4 Ų | 59.4 | 13% | 0.131 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -84.6 | 119.4 | -179.6 | -57.9 | -170.5 | 0 | 0 | 0 | 111.8 | R456 L531 L534 K535 Q543 P544 T548 | R456-L546 PolarHBondContact NH1-O 3.38Å; L531-L546 HydrophobicContact CD2-CD2 4.01Å; L534-L546 HydrophobicContact CB-CD2 3.98Å; L534-L546 HydrophobicContact CD1-CD2 4.44Å; K535-L546 HydrophobicContact CG-CD2 4.26Å; Q543-L546 PolarHBondContact O-N 3.16Å; P544-L546 VanDerWaalsContact C-N 3.31Å; P544-L546 PolarHBondContact O-N 3.16Å; L546-T548 PolarHBondContact O-N 3.05Å |
| 547 | P | 89.3 | Confident | 84.3 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | trans | -60.9 | 135.6 | 174 | -22.4 | 32.5 | 0 | 0 | 0 | 112.4 | L466 I470 I497 S499 L534 W545 F550 | L466-P547 HydrophobicContact CD1-CG 4.45Å; L466-P547 HydrophobicContact CD2-CG 4.42Å; I470-P547 HydrophobicContact CD1-CG 4.22Å; I497-P547 HydrophobicContact CG2-CB 4.42Å; S499-P547 VanDerWaalsContact OG-CB 3.31Å; S499-P547 WeakPolarHBondContact OG-CB 3.48Å; S499-P547 WeakPolarHBondContact OG-CG 3.2Å; L534-P547 HydrophobicContact CD1-CG 4.32Å; W545-P547 WeakPolarHBondContact O-CD 3.35Å; P547-F550 HydrophobicContact CB-CD2 4.45Å; P547-F550 HydrophobicContact CB-CE1 4.13Å; P547-F550 HydrophobicContact CB-CE2 3.92Å; P547-F550 HydrophobicContact CB-CZ 3.76Å; P547-F550 HydrophobicContact CG-CE1 3.88Å; P547-F550 HydrophobicContact CG-CE2 4.35Å; P547-F550 HydrophobicContact CG-CZ 3.68Å; P547-F550 WeakPolarHBondContact O-CE2 3.28Å | ||
| 548 | T | 87.5 | Confident | 83.4 | Confident | 52 Ų | 52 | 51 Ų | 51 | 32% | 0.319 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -64.9 | -44.8 | 172.8 | -45.6 | 0 | 0 | 0 | 0 | 110 | R456 I497 L546 | R456-T548 PolarHBondContact NH2-OG1 3.48Å; R456-T548 VanDerWaalsContact NH2-OG1 3.12Å; I497-T548 PolarHBondContact N-OG1 3.36Å; I497-T548 PolarHBondContact O-N 3.3Å; L546-T548 PolarHBondContact O-N 3.05Å |
| 549 | H | 83.6 | Confident | 82.7 | Confident | 58 Ų | 58 | 52.5 Ų | 52.5 | 27% | 0.269 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 151.4 | -178.9 | -60.5 | -88 | 0 | 0 | 0 | 112.8 | I497 I498 S499 | I497-H549 PolarHBondContact O-N 2.86Å; I498-H549 HydrophobicContact CB-CB 4.45Å; I498-H549 HydrophobicContact CG1-CB 4.16Å; I498-H549 HydrophobicContact CG2-CB 4.12Å; S499-H549 PolarHBondContact N-O 2.96Å |
| 550 | F | 84.7 | Confident | 82.1 | Confident | 30 Ų | 30 | 49.2 Ų | 49.2 | 13% | 0.132 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 121.2 | 178 | -66.8 | -97.1 | 0 | 0 | 0 | 109.6 | S499 I501 K527 I530 L531 P547 F552 | S499-F550 WeakPolarHBondContact O-CA 3.38Å; I501-F550 HydrophobicContact CD1-CD1 3.83Å; I501-F550 HydrophobicContact CD1-CE1 4.46Å; K527-F550 HydrophobicContact CD-CD2 3.87Å; K527-F550 HydrophobicContact CD-CE2 4.19Å; K527-F550 HydrophobicContact CD-CG 4.48Å; K527-F550 HydrophobicContact CG-CD2 4Å; K527-F550 HydrophobicContact CG-CE2 4.05Å; K527-F550 HydrophobicContact CG-CG 4.37Å; K527-F550 HydrophobicContact CG-CZ 4.46Å; I530-F550 HydrophobicContact CB-CE1 4.35Å; I530-F550 HydrophobicContact CD1-CD1 4.38Å; I530-F550 HydrophobicContact CD1-CE1 4.34Å; I530-F550 HydrophobicContact CG2-CE1 3.78Å; I530-F550 HydrophobicContact CG2-CZ 4.41Å; L531-F550 HydrophobicContact CD2-CE2 4.19Å; L531-F550 HydrophobicContact CD2-CZ 3.86Å; L531-F550 HydrophobicContact CG-CZ 4.19Å; P547-F550 HydrophobicContact CB-CD2 4.45Å; P547-F550 HydrophobicContact CB-CE1 4.13Å; P547-F550 HydrophobicContact CB-CE2 3.92Å; P547-F550 HydrophobicContact CB-CZ 3.76Å; P547-F550 HydrophobicContact CG-CE1 3.88Å; P547-F550 HydrophobicContact CG-CE2 4.35Å; P547-F550 HydrophobicContact CG-CZ 3.68Å; P547-F550 WeakPolarHBondContact O-CE2 3.28Å; F550-F552 HydrophobicContact CB-CD2 4.32Å; F550-F552 HydrophobicContact CB-CE2 3.64Å; F550-F552 HydrophobicContact CB-CZ 3.99Å; F550-F552 HydrophobicContact CD1-CZ 4.25Å; F550-F552 HydrophobicContact CG-CE2 4.47Å; F550-F552 HydrophobicContact CG-CZ 4.43Å |
| 551 | V | 82.5 | Confident | 81.6 | Confident | 53 Ų | 53 | 48.7 Ų | 48.7 | 32% | 0.321 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 107.9 | 178.3 | -163.7 | 0 | 0 | 0 | 0 | 108.8 | I498 S499 F500 I501 F553 | I498-V551 HydrophobicContact CG2-CG2 3.74Å; S499-V551 PolarHBondContact O-N 3.4Å; F500-V551 HydrophobicContact CD1-CB 4.2Å; F500-V551 HydrophobicContact CD1-CG2 4.43Å; F500-V551 HydrophobicContact CE1-CB 4.49Å; F500-V551 HydrophobicContact CE1-CG2 4.3Å; I501-V551 PolarHBondContact N-O 2.87Å; V551-F553 HydrophobicContact CB-CE2 3.84Å; V551-F553 HydrophobicContact CB-CZ 4.11Å; V551-F553 HydrophobicContact CG1-CD2 4.48Å; V551-F553 HydrophobicContact CG1-CE1 4.17Å; V551-F553 HydrophobicContact CG1-CE2 3.54Å; V551-F553 HydrophobicContact CG1-CZ 3.35Å; V551-F553 WeakPolarHBondContact O-CD2 3.22Å; V551-F553 VanDerWaalsContact O-CE2 3.3Å; V551-F553 WeakPolarHBondContact O-CE2 3.17Å |
| 552 | F | 81.8 | Confident | 81.1 | Confident | 20 Ų | 20 | 47.9 Ų | 47.9 | 9% | 0.088 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128 | -175.1 | -64.7 | -80.3 | 0 | 0 | 0 | 112.2 | I501 I503 K523 T526 K527 I530 F550 | I501-F552 HydrophobicContact CB-CD1 4.02Å; I501-F552 HydrophobicContact CB-CE1 4.32Å; I501-F552 HydrophobicContact CD1-CD1 4.38Å; I501-F552 HydrophobicContact CD1-CE1 3.84Å; I501-F552 HydrophobicContact CD1-CZ 4.39Å; I501-F552 HydrophobicContact CG2-CD1 4.24Å; I501-F552 HydrophobicContact CG2-CE1 4.37Å; I501-F552 WeakPolarHBondContact O-CA 3.42Å; I503-F552 HydrophobicContact CD1-CB 3.98Å; I503-F552 HydrophobicContact CD1-CD1 4.05Å; I503-F552 HydrophobicContact CD1-CG 4.35Å; I503-F552 HydrophobicContact CG2-CD1 4.29Å; K523-F552 HydrophobicContact CB-CD2 4.19Å; K523-F552 HydrophobicContact CB-CE2 4.46Å; K523-F552 HydrophobicContact CD-CD2 4.4Å; K523-F552 HydrophobicContact CG-CB 4.46Å; K523-F552 HydrophobicContact CG-CD2 4.14Å; T526-F552 HydrophobicContact CG2-CD1 4.47Å; T526-F552 HydrophobicContact CG2-CE1 3.72Å; T526-F552 HydrophobicContact CG2-CZ 4.29Å; K527-F552 HydrophobicContact CB-CE2 4.36Å; K527-F552 HydrophobicContact CB-CZ 4.22Å; I530-F552 HydrophobicContact CD1-CE1 3.8Å; I530-F552 HydrophobicContact CD1-CZ 3.99Å; F550-F552 HydrophobicContact CB-CD2 4.32Å; F550-F552 HydrophobicContact CB-CE2 3.64Å; F550-F552 HydrophobicContact CB-CZ 3.99Å; F550-F552 HydrophobicContact CD1-CZ 4.25Å; F550-F552 HydrophobicContact CG-CE2 4.47Å; F550-F552 HydrophobicContact CG-CZ 4.43Å |
| 553 | F | 74.9 | Confident | 80.3 | Confident | 36 Ų | 36 | 45.8 Ų | 45.8 | 16% | 0.158 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139 | -178.5 | -55.8 | -92.8 | 0 | 0 | 0 | 111.6 | F500 I501 I503 V551 R555 L557 F573 | F500-F553 HydrophobicContact CB-CE2 4.07Å; F500-F553 AromaticContact CD1-CE2 3.77Å; F500-F553 HydrophobicContact CD1-CE2 3.77Å; F500-F553 AromaticContact CD1-CZ 3.87Å; F500-F553 HydrophobicContact CD1-CZ 3.87Å; F500-F553 HydrophobicContact CG-CE2 4.39Å; I501-F553 PolarHBondContact O-N 3.32Å; I503-F553 VanDerWaalsContact CG1-O 3.31Å; I503-F553 WeakPolarHBondContact CG1-O 3.25Å; I503-F553 PolarHBondContact N-O 3.08Å; V551-F553 HydrophobicContact CB-CE2 3.84Å; V551-F553 HydrophobicContact CB-CZ 4.11Å; V551-F553 HydrophobicContact CG1-CD2 4.48Å; V551-F553 HydrophobicContact CG1-CE1 4.17Å; V551-F553 HydrophobicContact CG1-CE2 3.54Å; V551-F553 HydrophobicContact CG1-CZ 3.35Å; V551-F553 WeakPolarHBondContact O-CD2 3.22Å; V551-F553 VanDerWaalsContact O-CE2 3.3Å; V551-F553 WeakPolarHBondContact O-CE2 3.17Å; F553-R555 VanDerWaalsContact C-N 3.33Å; F553-R555 WeakPolarHBondContact CB-O 3.36Å; F553-L557 HydrophobicContact CD2-CD2 3.71Å; F553-L557 HydrophobicContact CE2-CD2 3.9Å; F553-L557 HydrophobicContact CG-CD2 4.39Å; F553-F573 HydrophobicContact CD1-CE1 4.06Å; F553-F573 HydrophobicContact CD1-CE2 4.33Å; F553-F573 AromaticContact CD1-CZ 3.84Å; F553-F573 HydrophobicContact CD1-CZ 3.84Å; F553-F573 HydrophobicContact CD2-CE2 4.45Å; F553-F573 AromaticContact CE1-CD1 3.84Å; F553-F573 HydrophobicContact CE1-CD1 3.84Å; F553-F573 AromaticContact CE1-CD2 3.85Å; F553-F573 HydrophobicContact CE1-CD2 3.85Å; F553-F573 AromaticContact CE1-CE1 3.62Å; F553-F573 HydrophobicContact CE1-CE1 3.62Å; F553-F573 AromaticContact CE1-CE2 3.63Å; F553-F573 HydrophobicContact CE1-CE2 3.63Å; F553-F573 AromaticContact CE1-CG 3.94Å; F553-F573 HydrophobicContact CE1-CG 3.94Å; F553-F573 AromaticContact CE1-CZ 3.48Å; F553-F573 HydrophobicContact CE1-CZ 3.48Å; F553-F573 VanDerWaalsContact CE1-CZ 3.48Å; F553-F573 HydrophobicContact CE2-CD2 4.25Å; F553-F573 AromaticContact CE2-CE2 3.77Å; F553-F573 HydrophobicContact CE2-CE2 3.77Å; F553-F573 HydrophobicContact CE2-CZ 4.2Å; F553-F573 HydrophobicContact CG-CZ 4.35Å; F553-F573 HydrophobicContact CZ-CD1 4.3Å; F553-F573 AromaticContact CZ-CD2 3.44Å; F553-F573 HydrophobicContact CZ-CD2 3.44Å; F553-F573 VanDerWaalsContact CZ-CD2 3.44Å; F553-F573 HydrophobicContact CZ-CE1 4.19Å; F553-F573 AromaticContact CZ-CE2 3.3Å; F553-F573 HydrophobicContact CZ-CE2 3.3Å; F553-F573 AromaticContact CZ-CG 3.95Å; F553-F573 HydrophobicContact CZ-CG 3.95Å; F553-F573 AromaticContact CZ-CZ 3.68Å; F553-F573 HydrophobicContact CZ-CZ 3.68Å |
| 554 | N | 70 | Confident | 80 | Confident | 66 Ų | 66 | 43.4 Ų | 43.4 | 35% | 0.353 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -95.1 | 14.8 | 167.9 | 57.6 | -0.2 | 0 | 0 | 0 | 112.8 | S515 I516 L518 | S515-N554 PolarHBondContact O-ND2 3.24Å; I516-N554 PolarHBondContact O-ND2 2.9Å; I516-N554 VanDerWaalsContact O-ND2 3.08Å; L518-N554 HydrophobicContact CD1-CB 3.91Å |
| 555 | R | 70.2 | Confident | 79.6 | Confident | 172 Ų | 172 | 43.8 Ų | 43.8 | 65% | 0.649 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -127.4 | 154.6 | 175.2 | -62.3 | -177.5 | -177.7 | -173.7 | -0.4 | 107.6 | F553 | F553-R555 VanDerWaalsContact C-N 3.33Å; F553-R555 WeakPolarHBondContact CB-O 3.36Å |
| 556 | S | 73.8 | Confident | 78.8 | Confident | 58 Ų | 58 | 45.1 Ų | 45.1 | 41% | 0.406 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -63.2 | 143 | 177.2 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | E502 | E502-S556 VanDerWaalsContact CD-CA 3.42Å; E502-S556 WeakPolarHBondContact OE1-CA 3.25Å; E502-S556 WeakPolarHBondContact OE1-CB 3.46Å; E502-S556 PolarHBondContact OE1-OG 3.23Å |
| 557 | L | 78 | Confident | 77.7 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 152.6 | 176.1 | -68.6 | 169.8 | 0 | 0 | 0 | 109.6 | N482 F500 E502 F553 I559 L565 F573 | N482-L557 HydrophobicContact CB-CD1 4.01Å; F500-L557 HydrophobicContact CB-CD2 3.98Å; E502-L557 HydrophobicContact CB-CD1 4.42Å; E502-L557 HydrophobicContact CB-CG 4.21Å; F553-L557 HydrophobicContact CD2-CD2 3.71Å; F553-L557 HydrophobicContact CE2-CD2 3.9Å; F553-L557 HydrophobicContact CG-CD2 4.39Å; L557-I559 PolarHBondContact O-N 3.07Å; L557-L565 HydrophobicContact CB-CD1 3.36Å; L557-L565 HydrophobicContact CD1-CD1 4.06Å; L557-L565 HydrophobicContact CG-CD1 4.35Å; L557-F573 HydrophobicContact CD2-CE2 3.69Å; L557-F573 HydrophobicContact CD2-CZ 3.92Å |
| 558 | P | 71 | Confident | 76.8 | Confident | 12 Ų | 12 | 51.1 Ų | 51.1 | 8% | 0.078 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 133.6 | -173.1 | 27.2 | -36.4 | 0 | 0 | 0 | 111.9 | M566 P569 F572 F573 | P558-M566 HydrophobicContact CB-CG 4.39Å; P558-M566 HydrophobicContact CB-SD 3.77Å; P558-M566 HydrophobicContact CG-CB 4.4Å; P558-M566 HydrophobicContact CG-SD 4.07Å; P558-M566 WeakPolarHBondContact O-CG 3.29Å; P558-M566 PolarHBondContact O-N 3.21Å; P558-P569 HydrophobicContact CG-CB 4.33Å; P558-F572 HydrophobicContact CB-CB 4.45Å; P558-F572 HydrophobicContact CB-CD1 3.7Å; P558-F572 HydrophobicContact CB-CD2 4.17Å; P558-F572 HydrophobicContact CB-CE1 3.91Å; P558-F572 HydrophobicContact CB-CE2 4.35Å; P558-F572 HydrophobicContact CB-CG 3.85Å; P558-F572 HydrophobicContact CB-CZ 4.23Å; P558-F572 HydrophobicContact CG-CB 4.13Å; P558-F572 HydrophobicContact CG-CD1 3.84Å; P558-F572 HydrophobicContact CG-CE1 4.46Å; P558-F572 HydrophobicContact CG-CG 4Å; P558-F573 HydrophobicContact CG-CE2 4.25Å; P558-F573 HydrophobicContact CG-CZ 4.24Å |
| 559 | I | 74.5 | Confident | 75.6 | Confident | 45 Ų | 45 | 48.7 Ų | 48.7 | 23% | 0.231 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -105.4 | 137.3 | 177.9 | -75.3 | 171.7 | 0 | 0 | 0 | 108.2 | N261 L557 G563 | N261-I559 HydrophobicContact CB-CG2 4.43Å; L557-I559 PolarHBondContact O-N 3.07Å; I559-G563 VanDerWaalsContact CG2-C 3.44Å; I559-G563 WeakPolarHBondContact CG2-O 3.49Å |
| 560 | S | 76.5 | Confident | 74.7 | Confident | 33 Ų | 33 | 47.9 Ų | 47.9 | 23% | 0.231 | 23% | 0.228 | C | C | . | . | trans | -71.9 | 167.7 | 176 | 69.4 | 0 | 0 | 0 | 0 | 112 | H562 G563 K564 | S560-H562 PolarHBondContact O-N 2.77Å; S560-H562 VanDerWaalsContact O-N 3.11Å; S560-H562 PolarHBondContact OG-N 3.12Å; S560-G563 PolarHBondContact O-N 2.86Å; S560-K564 PolarHBondContact N-O 2.82Å; S560-K564 PolarHBondContact OG-N 2.92Å; S560-K564 PolarHBondContact OG-O 2.99Å | ||
| 561 | L | 74.3 | Confident | 73.5 | Confident | 88 Ų | 88 | 51.6 Ų | 51.6 | 46% | 0.461 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -27.7 | 172 | -76.1 | 156.3 | 0 | 0 | 0 | 112.7 | L99 G563 | L99-L561 HydrophobicContact CD1-CD1 3.92Å; L561-G563 VanDerWaalsContact C-N 3.28Å; L561-G563 PolarHBondContact O-N 3.37Å |
| 562 | H | 78.4 | Confident | 72 | Confident | 60 Ų | 60 | 54.7 Ų | 54.7 | 28% | 0.278 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 12.5 | 175.6 | -51.8 | 120.3 | 0 | 0 | 0 | 114.5 | P232 T234 F235 T281 S560 K564 | P232-H562 VanDerWaalsContact CG-CD2 3.47Å; P232-H562 WeakPolarHBondContact CG-CD2 3.31Å; T234-H562 PolarHBondContact OG1-NE2 3.48Å; F235-H562 VanDerWaalsContact CB-CD2 3.48Å; F235-H562 WeakPolarHBondContact CB-CD2 3.45Å; F235-H562 HydrophobicContact CD1-CB 4.02Å; F235-H562 HydrophobicContact CE1-CB 4.43Å; F235-H562 HydrophobicContact CG-CB 4.45Å; T281-H562 WeakPolarHBondContact CG2-O 3.42Å; S560-H562 PolarHBondContact O-N 2.77Å; S560-H562 VanDerWaalsContact O-N 3.11Å; S560-H562 PolarHBondContact OG-N 3.12Å; H562-K564 PolarHBondContact O-N 2.78Å; H562-K564 VanDerWaalsContact O-N 3.12Å |
| 563 | G | 74.1 | Confident | 70.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 76.3 | -10.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | T281 S283 I559 S560 L561 | T281-G563 PolarHBondContact OG1-O 2.9Å; S283-G563 WeakPolarHBondContact CB-O 3.38Å; I559-G563 VanDerWaalsContact CG2-C 3.44Å; I559-G563 WeakPolarHBondContact CG2-O 3.49Å; S560-G563 PolarHBondContact O-N 2.86Å; L561-G563 VanDerWaalsContact C-N 3.28Å; L561-G563 PolarHBondContact O-N 3.37Å |
| 564 | K | 81.6 | Confident | 69.2 | Low | 57 Ų | 57 | 59 Ų | 59 | 25% | 0.248 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 142.4 | -175.6 | -57.7 | 178.8 | -174.8 | 177.6 | 0 | 111.8 | F235 T281 G308 E309 S560 H562 M566 | F235-K564 VanDerWaalsContact CZ-NZ 3.29Å; T281-K564 HydrophobicContact CG2-CG 3.8Å; G308-K564 WeakPolarHBondContact O-CE 3.3Å; E309-K564 HydrophobicContact CG-CB 4.19Å; E309-K564 HydrophobicContact CG-CG 4Å; S560-K564 PolarHBondContact N-O 2.82Å; S560-K564 PolarHBondContact OG-N 2.92Å; S560-K564 PolarHBondContact OG-O 2.99Å; H562-K564 PolarHBondContact O-N 2.78Å; H562-K564 VanDerWaalsContact O-N 3.12Å; K564-M566 PolarHBondContact O-N 3Å |
| 565 | L | 81 | Confident | 67.7 | Low | 10 Ų | 10 | 60.1 Ų | 60.1 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -65.8 | 117.7 | 173.8 | 169.8 | 65.4 | 0 | 0 | 0 | 110.4 | S283 E309 N482 R484 L557 Y567 | S283-L565 WeakPolarHBondContact OG-CB 3.39Å; E309-L565 WeakPolarHBondContact OE1-CB 3.48Å; E309-L565 PolarHBondContact OE1-N 3.33Å; N482-L565 HydrophobicContact CB-CD2 4.38Å; R484-L565 HydrophobicContact CB-CD2 4.38Å; R484-L565 PolarHBondContact NH2-O 3.13Å; L557-L565 HydrophobicContact CB-CD1 3.36Å; L557-L565 HydrophobicContact CD1-CD1 4.06Å; L557-L565 HydrophobicContact CG-CD1 4.35Å; L565-Y567 PolarHBondContact O-N 2.78Å |
| 566 | M | 73.8 | Confident | 66.3 | Low | 57 Ų | 57 | 55.2 Ų | 55.2 | 28% | 0.281 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 135.8 | -171.2 | -69.5 | -176.5 | 72.2 | 0 | 0 | 113.2 | P558 K564 F572 | P558-M566 HydrophobicContact CB-CG 4.39Å; P558-M566 HydrophobicContact CB-SD 3.77Å; P558-M566 HydrophobicContact CG-CB 4.4Å; P558-M566 HydrophobicContact CG-SD 4.07Å; P558-M566 WeakPolarHBondContact O-CG 3.29Å; P558-M566 PolarHBondContact O-N 3.21Å; K564-M566 PolarHBondContact O-N 3Å; M566-F572 HydrophobicContact SD-CB 4.42Å; M566-F572 HydrophobicContact SD-CD2 4.29Å |
| 567 | Y | 71.3 | Confident | 65 | Low | 74 Ų | 74 | 54.3 Ų | 54.3 | 29% | 0.29 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -73.7 | -27.5 | 179.2 | -77.7 | -67.3 | 0 | 0 | 0 | 114.2 | L565 P569 | L565-Y567 PolarHBondContact O-N 2.78Å; Y567-P569 VanDerWaalsContact O-CD 3.25Å; Y567-P569 WeakPolarHBondContact O-CD 3.3Å |
| 568 | R | 68.9 | Low | 64.3 | Low | 86 Ų | 86 | 56.4 Ų | 56.4 | 33% | 0.325 | 28% | 0.284 | S | S | . | . | trans | -117.2 | 63.6 | 179.4 | -60.5 | -173.4 | -171.8 | 164.2 | 4.1 | 111.9 | F189 Y570 E571 | F189-R568 PolarHBondContact O-NH2 2.81Å; R568-Y570 PolarHBondContact O-N 3.03Å; R568-Y570 VanDerWaalsContact O-N 3.09Å; R568-E571 HydrophobicContact CB-CG 4.21Å; R568-E571 WeakPolarHBondContact CD-OE1 3.09Å; R568-E571 IonicContact NH1-OE1 3.08Å; R568-E571 PolarHBondContact O-N 2.97Å; R568-E571 VanDerWaalsContact O-N 3.13Å | ||
| 569 | P | 63.2 | Low | 64.2 | Low | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -20.5 | -176.5 | 28.4 | -37 | 0 | 0 | 0 | 113.1 | R484 F500 P558 Y567 E571 F572 F573 | R484-P569 HydrophobicContact CB-CG 4.44Å; R484-P569 HydrophobicContact CG-CG 4.36Å; F500-P569 HydrophobicContact CB-CG 4.08Å; F500-P569 HydrophobicContact CD1-CB 4.03Å; F500-P569 HydrophobicContact CD1-CG 3.89Å; F500-P569 HydrophobicContact CD2-CG 3.52Å; F500-P569 HydrophobicContact CE1-CB 4.4Å; F500-P569 HydrophobicContact CE1-CG 4.23Å; F500-P569 HydrophobicContact CE2-CG 3.89Å; F500-P569 HydrophobicContact CG-CB 4.13Å; F500-P569 HydrophobicContact CG-CG 3.54Å; F500-P569 HydrophobicContact CZ-CG 4.24Å; P558-P569 HydrophobicContact CG-CB 4.33Å; Y567-P569 VanDerWaalsContact O-CD 3.25Å; Y567-P569 WeakPolarHBondContact O-CD 3.3Å; P569-E571 VanDerWaalsContact C-N 3.33Å; P569-E571 PolarHBondContact O-N 3.07Å; P569-F572 PolarHBondContact O-N 2.85Å; P569-F573 HydrophobicContact CB-CD2 3.98Å; P569-F573 HydrophobicContact CB-CE2 3.99Å; P569-F573 WeakPolarHBondContact O-CB 3.45Å; P569-F573 WeakPolarHBondContact O-CD2 3.22Å; P569-F573 WeakPolarHBondContact O-CG 3.35Å; P569-F573 PolarHBondContact O-N 2.86Å |
| 570 | Y | 64.1 | Low | 64.2 | Low | 42 Ų | 42 | 59 Ų | 59 | 17% | 0.165 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.5 | -40 | 174 | -174.6 | -98.8 | 0 | 0 | 0 | 113.1 | Q486 F488 F500 R568 F572 F573 K574 M577 | Q486-Y570 VanDerWaalsContact OE1-CB 3.25Å; F488-Y570 HydrophobicContact CE1-CD1 4.04Å; F488-Y570 HydrophobicContact CE1-CE1 4.1Å; F488-Y570 HydrophobicContact CE1-CG 4.35Å; F488-Y570 HydrophobicContact CE2-CD2 4.45Å; F488-Y570 HydrophobicContact CE2-CG 4.27Å; F488-Y570 AromaticContact CZ-CD1 3.58Å; F488-Y570 HydrophobicContact CZ-CD1 3.58Å; F488-Y570 AromaticContact CZ-CD2 3.9Å; F488-Y570 HydrophobicContact CZ-CD2 3.9Å; F488-Y570 HydrophobicContact CZ-CE1 4.05Å; F488-Y570 HydrophobicContact CZ-CE2 4.34Å; F488-Y570 AromaticContact CZ-CG 3.49Å; F488-Y570 HydrophobicContact CZ-CG 3.49Å; F488-Y570 VanDerWaalsContact CZ-CG 3.49Å; F500-Y570 HydrophobicContact CZ-CD2 4.18Å; R568-Y570 PolarHBondContact O-N 3.03Å; R568-Y570 VanDerWaalsContact O-N 3.09Å; Y570-F572 VanDerWaalsContact C-N 3.34Å; Y570-F572 PolarHBondContact O-N 2.92Å; Y570-F573 PolarHBondContact O-N 2.67Å; Y570-K574 WeakPolarHBondContact O-CB 3.37Å; Y570-K574 PolarHBondContact O-N 2.89Å; Y570-M577 HydrophobicContact CE2-SD 4.3Å |
| 571 | E | 59.5 | Low | 63.8 | Low | 107 Ų | 107 | 58.8 Ų | 58.8 | 50% | 0.5 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | -178.3 | -67.1 | 171.7 | -174 | 0 | 0 | 110.8 | R568 P569 K574 | R568-E571 HydrophobicContact CB-CG 4.21Å; R568-E571 WeakPolarHBondContact CD-OE1 3.09Å; R568-E571 IonicContact NH1-OE1 3.08Å; R568-E571 PolarHBondContact O-N 2.97Å; R568-E571 VanDerWaalsContact O-N 3.13Å; P569-E571 VanDerWaalsContact C-N 3.33Å; P569-E571 PolarHBondContact O-N 3.07Å; E571-K574 WeakPolarHBondContact O-CB 3.45Å |
| 572 | F | 51.3 | Low | 63.9 | Low | 118 Ų | 118 | 56.5 Ų | 56.5 | 52% | 0.518 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.5 | -45.5 | 175.1 | -171.2 | -89 | 0 | 0 | 0 | 112.3 | P558 M566 P569 Y570 K574 S575 | P558-F572 HydrophobicContact CB-CB 4.45Å; P558-F572 HydrophobicContact CB-CD1 3.7Å; P558-F572 HydrophobicContact CB-CD2 4.17Å; P558-F572 HydrophobicContact CB-CE1 3.91Å; P558-F572 HydrophobicContact CB-CE2 4.35Å; P558-F572 HydrophobicContact CB-CG 3.85Å; P558-F572 HydrophobicContact CB-CZ 4.23Å; P558-F572 HydrophobicContact CG-CB 4.13Å; P558-F572 HydrophobicContact CG-CD1 3.84Å; P558-F572 HydrophobicContact CG-CE1 4.46Å; P558-F572 HydrophobicContact CG-CG 4Å; M566-F572 HydrophobicContact SD-CB 4.42Å; M566-F572 HydrophobicContact SD-CD2 4.29Å; P569-F572 PolarHBondContact O-N 2.85Å; Y570-F572 VanDerWaalsContact C-N 3.34Å; Y570-F572 PolarHBondContact O-N 2.92Å; F572-K574 VanDerWaalsContact C-N 3.33Å; F572-K574 PolarHBondContact O-N 3.32Å; F572-S575 PolarHBondContact O-OG 2.86Å |
| 573 | F | 53.2 | Low | 64.1 | Low | 21 Ų | 21 | 53.7 Ų | 53.7 | 9% | 0.092 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -79.2 | -8.9 | -177.2 | -69.4 | -49.6 | 0 | 0 | 0 | 114.7 | F500 F553 L557 P558 P569 Y570 S575 S576 M577 | F500-F573 AromaticContact CD1-CD2 3.8Å; F500-F573 HydrophobicContact CD1-CD2 3.8Å; F500-F573 HydrophobicContact CD1-CE2 4.1Å; F500-F573 HydrophobicContact CE1-CD2 4.02Å; F553-F573 HydrophobicContact CD1-CE1 4.06Å; F553-F573 HydrophobicContact CD1-CE2 4.33Å; F553-F573 AromaticContact CD1-CZ 3.84Å; F553-F573 HydrophobicContact CD1-CZ 3.84Å; F553-F573 HydrophobicContact CD2-CE2 4.45Å; F553-F573 AromaticContact CE1-CD1 3.84Å; F553-F573 HydrophobicContact CE1-CD1 3.84Å; F553-F573 AromaticContact CE1-CD2 3.85Å; F553-F573 HydrophobicContact CE1-CD2 3.85Å; F553-F573 AromaticContact CE1-CE1 3.62Å; F553-F573 HydrophobicContact CE1-CE1 3.62Å; F553-F573 AromaticContact CE1-CE2 3.63Å; F553-F573 HydrophobicContact CE1-CE2 3.63Å; F553-F573 AromaticContact CE1-CG 3.94Å; F553-F573 HydrophobicContact CE1-CG 3.94Å; F553-F573 AromaticContact CE1-CZ 3.48Å; F553-F573 HydrophobicContact CE1-CZ 3.48Å; F553-F573 VanDerWaalsContact CE1-CZ 3.48Å; F553-F573 HydrophobicContact CE2-CD2 4.25Å; F553-F573 AromaticContact CE2-CE2 3.77Å; F553-F573 HydrophobicContact CE2-CE2 3.77Å; F553-F573 HydrophobicContact CE2-CZ 4.2Å; F553-F573 HydrophobicContact CG-CZ 4.35Å; F553-F573 HydrophobicContact CZ-CD1 4.3Å; F553-F573 AromaticContact CZ-CD2 3.44Å; F553-F573 HydrophobicContact CZ-CD2 3.44Å; F553-F573 VanDerWaalsContact CZ-CD2 3.44Å; F553-F573 HydrophobicContact CZ-CE1 4.19Å; F553-F573 AromaticContact CZ-CE2 3.3Å; F553-F573 HydrophobicContact CZ-CE2 3.3Å; F553-F573 AromaticContact CZ-CG 3.95Å; F553-F573 HydrophobicContact CZ-CG 3.95Å; F553-F573 AromaticContact CZ-CZ 3.68Å; F553-F573 HydrophobicContact CZ-CZ 3.68Å; L557-F573 HydrophobicContact CD2-CE2 3.69Å; L557-F573 HydrophobicContact CD2-CZ 3.92Å; P558-F573 HydrophobicContact CG-CE2 4.25Å; P558-F573 HydrophobicContact CG-CZ 4.24Å; P569-F573 HydrophobicContact CB-CD2 3.98Å; P569-F573 HydrophobicContact CB-CE2 3.99Å; P569-F573 WeakPolarHBondContact O-CB 3.45Å; P569-F573 WeakPolarHBondContact O-CD2 3.22Å; P569-F573 WeakPolarHBondContact O-CG 3.35Å; P569-F573 PolarHBondContact O-N 2.86Å; Y570-F573 PolarHBondContact O-N 2.67Å; F573-S575 PolarHBondContact O-N 2.85Å; F573-S575 VanDerWaalsContact O-N 3.17Å; F573-S576 WeakPolarHBondContact CD1-OG 3.04Å; F573-S576 CarbonylContact O-C 3.49Å; F573-S576 PolarHBondContact O-N 3.06Å; F573-S576 PolarHBondContact O-OG 2.78Å; F573-M577 WeakPolarHBondContact O-CG 3.31Å; F573-M577 PolarHBondContact O-N 3.47Å |
| 574 | K | 45.4 | Very low | 64.5 | Low | 125 Ų | 125 | 55.4 Ų | 55.4 | 54% | 0.543 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -39.7 | 177.1 | -172.5 | 179.9 | 178.3 | -173.9 | 0 | 112.4 | Y570 E571 F572 | Y570-K574 WeakPolarHBondContact O-CB 3.37Å; Y570-K574 PolarHBondContact O-N 2.89Å; E571-K574 WeakPolarHBondContact O-CB 3.45Å; F572-K574 VanDerWaalsContact C-N 3.33Å; F572-K574 PolarHBondContact O-N 3.32Å |
| 575 | S | 38.2 | Very low | 64.2 | Low | 90 Ų | 90 | 53.5 Ų | 53.5 | 63% | 0.629 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -37.5 | 176.3 | 60.6 | 0 | 0 | 0 | 0 | 113.3 | F572 F573 K582 | F572-S575 PolarHBondContact O-OG 2.86Å; F573-S575 PolarHBondContact O-N 2.85Å; F573-S575 VanDerWaalsContact O-N 3.17Å; S575-K582 VanDerWaalsContact O-CE 3.25Å; S575-K582 WeakPolarHBondContact O-CE 3.46Å; S575-K582 PolarHBondContact O-NZ 3.23Å |
| 576 | S | 40.3 | Very low | 64.5 | Low | 70 Ų | 70 | 53.5 Ų | 53.5 | 49% | 0.49 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 14.1 | -174.3 | 81.9 | 0 | 0 | 0 | 0 | 114.1 | F573 S578 | F573-S576 WeakPolarHBondContact CD1-OG 3.04Å; F573-S576 CarbonylContact O-C 3.49Å; F573-S576 PolarHBondContact O-N 3.06Å; F573-S576 PolarHBondContact O-OG 2.78Å; S576-S578 PolarHBondContact O-N 2.95Å |
| 577 | M | 47.4 | Very low | 65.1 | Low | 39 Ų | 39 | 50.9 Ų | 50.9 | 19% | 0.192 | 25% | 0.254 | C | S | . | . | trans | -51.6 | 135.4 | 175.9 | -83.3 | 176 | 74.3 | 0 | 0 | 109.4 | Y570 F573 K582 T585 | Y570-M577 HydrophobicContact CE2-SD 4.3Å; F573-M577 WeakPolarHBondContact O-CG 3.31Å; F573-M577 PolarHBondContact O-N 3.47Å; M577-K582 HydrophobicContact CB-CG 3.71Å; M577-K582 VanDerWaalsContact O-CE 3.31Å; M577-K582 WeakPolarHBondContact O-CE 3.37Å; M577-K582 WeakPolarHBondContact O-CG 3.13Å; M577-T585 VanDerWaalsContact CE-OG1 3.3Å; M577-T585 WeakPolarHBondContact CE-OG1 3.31Å | ||
| 578 | S | 63.1 | Low | 65.5 | Low | 50 Ų | 50 | 47.4 Ų | 47.4 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | trans | -55.7 | 149.9 | 178.9 | 70 | 0 | 0 | 0 | 0 | 110.8 | S576 K580 S581 K582 | S576-S578 PolarHBondContact O-N 2.95Å; S578-K580 PolarHBondContact O-N 3.44Å; S578-S581 PolarHBondContact N-OG 3.12Å; S578-S581 CarbonylContact O-C 3.54Å; S578-S581 WeakPolarHBondContact O-CA 3.39Å; S578-S581 PolarHBondContact O-N 2.85Å; S578-S581 PolarHBondContact O-OG 2.81Å; S578-S581 PolarHBondContact OG-N 2.64Å; S578-S581 PolarHBondContact OG-OG 2.89Å; S578-K582 PolarHBondContact O-N 2.69Å | ||
| 579 | I | 68.3 | Low | 66 | Low | 33 Ų | 33 | 46.5 Ų | 46.5 | 17% | 0.169 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -45.6 | -51.6 | 178.6 | -67.7 | 151.7 | 0 | 0 | 0 | 110.8 | S581 K582 V583 F626 I652 S656 | I579-S581 PolarHBondContact O-N 3.49Å; I579-K582 PolarHBondContact O-N 2.83Å; I579-V583 HydrophobicContact CG2-CG2 4.49Å; I579-V583 VanDerWaalsContact O-CG2 3.31Å; I579-V583 WeakPolarHBondContact O-CG2 3.41Å; I579-V583 PolarHBondContact O-N 2.96Å; I579-F626 HydrophobicContact CB-CE1 4.47Å; I579-F626 HydrophobicContact CB-CZ 4.23Å; I579-F626 HydrophobicContact CG1-CE1 3.86Å; I579-F626 HydrophobicContact CG1-CZ 4.12Å; I579-F626 HydrophobicContact CG2-CE1 4.37Å; I579-F626 HydrophobicContact CG2-CE2 4.39Å; I579-F626 HydrophobicContact CG2-CZ 3.97Å; I579-I652 HydrophobicContact CG2-CB 4.26Å; I579-I652 HydrophobicContact CG2-CG2 3.47Å; I579-I652 VanDerWaalsContact CG2-CG2 3.47Å; I579-S656 WeakPolarHBondContact CD1-OG 3.34Å |
| 580 | K | 73.4 | Confident | 66.8 | Low | 79 Ų | 79 | 47.4 Ų | 47.4 | 34% | 0.343 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -50.7 | -50.2 | 173.7 | 179.7 | 174.6 | -102.8 | -115.9 | 0 | 113 | S578 V583 I584 W601 C649 | S578-K580 PolarHBondContact O-N 3.44Å; K580-V583 PolarHBondContact O-N 3.43Å; K580-I584 HydrophobicContact CG-CD1 4.36Å; K580-I584 VanDerWaalsContact O-CG1 3.29Å; K580-I584 WeakPolarHBondContact O-CG1 3.46Å; K580-I584 PolarHBondContact O-N 3.44Å; K580-W601 HydrophobicContact CD-CH2 3.51Å; K580-W601 HydrophobicContact CD-CZ2 4.08Å; K580-W601 HydrophobicContact CD-CZ3 4.1Å; K580-W601 HydrophobicContact CG-CH2 3.48Å; K580-W601 VanDerWaalsContact CG-CH2 3.48Å; K580-W601 HydrophobicContact CG-CZ2 4.32Å; K580-W601 HydrophobicContact CG-CZ3 4.16Å; K580-C649 HydrophobicContact CG-CB 4.26Å |
| 581 | S | 68.3 | Low | 67.3 | Low | 28 Ų | 28 | 46.5 Ų | 46.5 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73.6 | -28.5 | -179.3 | 51.2 | 0 | 0 | 0 | 0 | 114.4 | S578 I579 T585 | S578-S581 PolarHBondContact N-OG 3.12Å; S578-S581 CarbonylContact O-C 3.54Å; S578-S581 WeakPolarHBondContact O-CA 3.39Å; S578-S581 PolarHBondContact O-N 2.85Å; S578-S581 PolarHBondContact O-OG 2.81Å; S578-S581 PolarHBondContact OG-N 2.64Å; S578-S581 PolarHBondContact OG-OG 2.89Å; I579-S581 PolarHBondContact O-N 3.49Å; S581-T585 PolarHBondContact O-N 2.92Å; S581-T585 PolarHBondContact O-OG1 2.9Å |
| 582 | K | 76.1 | Confident | 67.7 | Low | 40 Ų | 40 | 44.8 Ų | 44.8 | 17% | 0.174 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 169 | -70.5 | -171.3 | 171.8 | -166.4 | 0 | 110.4 | S575 M577 S578 I579 T585 M586 E625 F626 | S575-K582 VanDerWaalsContact O-CE 3.25Å; S575-K582 WeakPolarHBondContact O-CE 3.46Å; S575-K582 PolarHBondContact O-NZ 3.23Å; M577-K582 HydrophobicContact CB-CG 3.71Å; M577-K582 VanDerWaalsContact O-CE 3.31Å; M577-K582 WeakPolarHBondContact O-CE 3.37Å; M577-K582 WeakPolarHBondContact O-CG 3.13Å; S578-K582 PolarHBondContact O-N 2.69Å; I579-K582 PolarHBondContact O-N 2.83Å; K582-T585 WeakPolarHBondContact O-CB 3.28Å; K582-T585 PolarHBondContact O-N 3.06Å; K582-T585 VanDerWaalsContact O-N 3.11Å; K582-M586 HydrophobicContact CB-CE 4.38Å; K582-M586 WeakPolarHBondContact O-CG 3.34Å; K582-M586 PolarHBondContact O-N 2.75Å; K582-E625 HydrophobicContact CD-CG 4Å; K582-E625 VanDerWaalsContact CD-OE1 3.3Å; K582-E625 WeakPolarHBondContact CD-OE1 3.43Å; K582-E625 WeakPolarHBondContact CE-OE1 3.4Å; K582-E625 IonicContact NZ-OE1 3.39Å; K582-E625 PolarHBondContact NZ-OE1 2.87Å; K582-F626 HydrophobicContact CB-CZ 4.06Å; K582-F626 HydrophobicContact CD-CZ 4.11Å |
| 583 | V | 84.4 | Confident | 68.5 | Low | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.5 | -46 | 175.8 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | I579 K580 T585 M586 W587 F626 L645 V648 I652 | I579-V583 HydrophobicContact CG2-CG2 4.49Å; I579-V583 VanDerWaalsContact O-CG2 3.31Å; I579-V583 WeakPolarHBondContact O-CG2 3.41Å; I579-V583 PolarHBondContact O-N 2.96Å; K580-V583 PolarHBondContact O-N 3.43Å; V583-T585 VanDerWaalsContact C-N 3.29Å; V583-T585 PolarHBondContact O-N 2.83Å; V583-M586 HydrophobicContact CG2-CE 4.16Å; V583-M586 PolarHBondContact O-N 2.9Å; V583-W587 WeakPolarHBondContact O-CB 3.3Å; V583-W587 PolarHBondContact O-N 2.86Å; V583-F626 HydrophobicContact CG2-CE2 4.05Å; V583-L645 HydrophobicContact CG1-CD1 4.09Å; V583-V648 HydrophobicContact CG1-CG1 4.38Å; V583-I652 HydrophobicContact CB-CD1 4.48Å; V583-I652 HydrophobicContact CG1-CD1 4.06Å; V583-I652 HydrophobicContact CG2-CB 4.41Å; V583-I652 HydrophobicContact CG2-CD1 3.52Å; V583-I652 HydrophobicContact CG2-CG2 3.98Å |
| 584 | I | 81.1 | Confident | 68.8 | Low | 37 Ų | 37 | 43.8 Ų | 43.8 | 19% | 0.19 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.1 | -44.3 | 172.3 | -59.9 | 161.8 | 0 | 0 | 0 | 111.1 | K580 W587 N588 W601 L645 | K580-I584 HydrophobicContact CG-CD1 4.36Å; K580-I584 VanDerWaalsContact O-CG1 3.29Å; K580-I584 WeakPolarHBondContact O-CG1 3.46Å; K580-I584 PolarHBondContact O-N 3.44Å; I584-W587 PolarHBondContact O-N 2.86Å; I584-N588 WeakPolarHBondContact O-CB 3.49Å; I584-N588 VanDerWaalsContact O-CG 3.31Å; I584-N588 PolarHBondContact O-N 3.04Å; I584-N588 PolarHBondContact O-OD1 3.27Å; I584-W601 HydrophobicContact CD1-CH2 3.53Å; I584-W601 HydrophobicContact CD1-CZ2 3.48Å; I584-W601 VanDerWaalsContact CD1-CZ2 3.48Å; I584-W601 HydrophobicContact CG1-CH2 3.66Å; I584-W601 HydrophobicContact CG1-CZ2 4.01Å; I584-L645 HydrophobicContact CG1-CD2 4.43Å |
| 585 | T | 76.5 | Confident | 69.2 | Low | 17 Ų | 17 | 44.1 Ų | 44.1 | 10% | 0.104 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -50.1 | -178 | -52.9 | 0 | 0 | 0 | 0 | 110.6 | M577 S581 K582 V583 W587 N588 E589 R595 | M577-T585 VanDerWaalsContact CE-OG1 3.3Å; M577-T585 WeakPolarHBondContact CE-OG1 3.31Å; S581-T585 PolarHBondContact O-N 2.92Å; S581-T585 PolarHBondContact O-OG1 2.9Å; K582-T585 WeakPolarHBondContact O-CB 3.28Å; K582-T585 PolarHBondContact O-N 3.06Å; K582-T585 VanDerWaalsContact O-N 3.11Å; V583-T585 VanDerWaalsContact C-N 3.29Å; V583-T585 PolarHBondContact O-N 2.83Å; T585-W587 PolarHBondContact O-N 3.48Å; T585-N588 PolarHBondContact O-N 2.96Å; T585-E589 WeakPolarHBondContact O-CB 3.36Å; T585-E589 VanDerWaalsContact O-CG 3.24Å; T585-E589 WeakPolarHBondContact O-CG 3.3Å; T585-E589 PolarHBondContact O-N 2.81Å; T585-R595 HydrophobicContact CG2-CB 4.12Å; T585-R595 HydrophobicContact CG2-CG 3.75Å |
| 586 | M | 85.8 | Confident | 69.6 | Low | 10 Ų | 10 | 41.5 Ų | 41.5 | 5% | 0.049 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.4 | -37.3 | 178.7 | -63.3 | 180 | -65.1 | 0 | 0 | 112.2 | K582 V583 S590 L618 T621 I622 E625 F626 | K582-M586 HydrophobicContact CB-CE 4.38Å; K582-M586 WeakPolarHBondContact O-CG 3.34Å; K582-M586 PolarHBondContact O-N 2.75Å; V583-M586 HydrophobicContact CG2-CE 4.16Å; V583-M586 PolarHBondContact O-N 2.9Å; M586-S590 WeakPolarHBondContact O-CB 3.45Å; M586-S590 PolarHBondContact O-N 2.79Å; M586-S590 PolarHBondContact O-OG 2.85Å; M586-L618 HydrophobicContact CB-CD1 3.84Å; M586-L618 WeakPolarHBondContact O-CD1 3.45Å; M586-T621 HydrophobicContact CB-CG2 4.24Å; M586-T621 HydrophobicContact CG-CG2 3.87Å; M586-T621 HydrophobicContact SD-CG2 3.73Å; M586-I622 HydrophobicContact CE-CB 4.42Å; M586-I622 HydrophobicContact CE-CG1 3.68Å; M586-I622 HydrophobicContact SD-CG1 4.36Å; M586-E625 HydrophobicContact CE-CB 4.16Å; M586-E625 HydrophobicContact CE-CG 4.26Å; M586-E625 HydrophobicContact SD-CB 3.76Å; M586-E625 HydrophobicContact SD-CG 4.13Å; M586-F626 HydrophobicContact CE-CD2 4.44Å; M586-F626 HydrophobicContact CE-CE2 3.84Å |
| 587 | W | 86.8 | Confident | 70.3 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -49.2 | 176.6 | -174.2 | -72.7 | 0 | 0 | 0 | 111.1 | V583 I584 T585 S590 L591 F605 L618 I640 L645 V648 | V583-W587 WeakPolarHBondContact O-CB 3.3Å; V583-W587 PolarHBondContact O-N 2.86Å; I584-W587 PolarHBondContact O-N 2.86Å; T585-W587 PolarHBondContact O-N 3.48Å; W587-S590 PolarHBondContact O-N 3.18Å; W587-L591 WeakPolarHBondContact O-CG 3.48Å; W587-L591 PolarHBondContact O-N 3.05Å; W587-F605 AromaticContact CD2-CD2 3.92Å; W587-F605 HydrophobicContact CD2-CD2 3.92Å; W587-F605 HydrophobicContact CD2-CE2 4.46Å; W587-F605 AromaticContact CE2-CD2 3.7Å; W587-F605 HydrophobicContact CE3-CD2 4.22Å; W587-F605 HydrophobicContact CH2-CB 3.78Å; W587-F605 HydrophobicContact CH2-CD2 4.12Å; W587-F605 HydrophobicContact CH2-CG 4.46Å; W587-F605 HydrophobicContact CZ2-CB 3.82Å; W587-F605 AromaticContact CZ2-CD2 3.84Å; W587-F605 HydrophobicContact CZ2-CD2 3.84Å; W587-F605 HydrophobicContact CZ2-CG 4.35Å; W587-F605 HydrophobicContact CZ3-CB 4.49Å; W587-F605 HydrophobicContact CZ3-CD2 4.29Å; W587-L618 HydrophobicContact CB-CD1 4.49Å; W587-L618 HydrophobicContact CB-CD2 4.34Å; W587-L618 HydrophobicContact CD2-CD2 3.99Å; W587-L618 HydrophobicContact CE3-CD2 3.55Å; W587-L618 HydrophobicContact CG-CD2 4.33Å; W587-L618 HydrophobicContact CZ3-CD2 4.19Å; W587-I640 HydrophobicContact CZ3-CG1 4.36Å; W587-I640 HydrophobicContact CZ3-CG2 4.49Å; W587-L645 HydrophobicContact CB-CD1 4.25Å; W587-L645 HydrophobicContact CD2-CB 4.34Å; W587-L645 HydrophobicContact CD2-CD1 3.68Å; W587-L645 HydrophobicContact CD2-CG 4.4Å; W587-L645 HydrophobicContact CE3-CD1 3.69Å; W587-L645 HydrophobicContact CG-CD1 3.96Å; W587-L645 HydrophobicContact CG-CD2 4.48Å; W587-L645 HydrophobicContact CH2-CB 4.12Å; W587-L645 HydrophobicContact CZ2-CB 3.86Å; W587-L645 HydrophobicContact CZ3-CB 4.44Å; W587-L645 HydrophobicContact CZ3-CD1 4.28Å; W587-V648 HydrophobicContact CH2-CG2 4.42Å; W587-V648 HydrophobicContact CZ3-CB 4.11Å; W587-V648 HydrophobicContact CZ3-CG1 4.14Å; W587-V648 HydrophobicContact CZ3-CG2 3.96Å |
| 588 | N | 79.8 | Confident | 70.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 174.6 | -72.4 | 8.8 | 0 | 0 | 0 | 111.5 | I584 T585 S590 L591 G592 L593 S594 T597 T599 | I584-N588 WeakPolarHBondContact O-CB 3.49Å; I584-N588 VanDerWaalsContact O-CG 3.31Å; I584-N588 PolarHBondContact O-N 3.04Å; I584-N588 PolarHBondContact O-OD1 3.27Å; T585-N588 PolarHBondContact O-N 2.96Å; N588-S590 VanDerWaalsContact C-N 3.26Å; N588-S590 PolarHBondContact O-N 3.3Å; N588-L591 CarbonylContact O-C 3.37Å; N588-L591 PolarHBondContact O-N 3.13Å; N588-G592 PolarHBondContact O-N 3.12Å; N588-L593 CarbonylContact C-O 3.6Å; N588-L593 HydrophobicContact CB-CB 4.04Å; N588-L593 WeakPolarHBondContact O-CB 3.4Å; N588-L593 PolarHBondContact O-N 2.95Å; N588-S594 WeakPolarHBondContact CB-O 3.24Å; N588-S594 PolarHBondContact ND2-O 3.4Å; N588-T597 PolarHBondContact ND2-O 2.95Å; N588-T599 WeakPolarHBondContact OD1-CG2 3.38Å; N588-T599 PolarHBondContact OD1-OG1 2.85Å |
| 589 | E | 78.7 | Confident | 70.3 | Confident | 68 Ų | 68 | 41.9 Ų | 41.9 | 32% | 0.318 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56 | -40.6 | 177 | -75.3 | 174.2 | 145.6 | 0 | 0 | 111.8 | T585 L591 G592 R595 | T585-E589 WeakPolarHBondContact O-CB 3.36Å; T585-E589 VanDerWaalsContact O-CG 3.24Å; T585-E589 WeakPolarHBondContact O-CG 3.3Å; T585-E589 PolarHBondContact O-N 2.81Å; E589-L591 VanDerWaalsContact C-N 3.25Å; E589-L591 PolarHBondContact O-N 2.88Å; E589-G592 PolarHBondContact O-N 2.88Å; E589-G592 VanDerWaalsContact O-N 3.12Å; E589-R595 HydrophobicContact CG-CG 4.22Å; E589-R595 IonicContact OE1-CZ 2.75Å; E589-R595 IonicContact OE1-NE 3.21Å; E589-R595 PolarHBondContact OE1-NE 2.98Å; E589-R595 IonicContact OE1-NH2 3.16Å; E589-R595 PolarHBondContact OE1-NH2 3.47Å |
| 590 | S | 81.4 | Confident | 70.2 | Confident | 20 Ų | 20 | 45.4 Ų | 45.4 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.8 | -17.7 | 179.1 | -56.1 | 0 | 0 | 0 | 0 | 113.8 | M586 W587 N588 M614 L618 | M586-S590 WeakPolarHBondContact O-CB 3.45Å; M586-S590 PolarHBondContact O-N 2.79Å; M586-S590 PolarHBondContact O-OG 2.85Å; W587-S590 PolarHBondContact O-N 3.18Å; N588-S590 VanDerWaalsContact C-N 3.26Å; N588-S590 PolarHBondContact O-N 3.3Å; S590-M614 WeakPolarHBondContact O-CB 3.22Å; S590-M614 WeakPolarHBondContact O-CG 3.36Å; S590-L618 WeakPolarHBondContact OG-CD1 3.48Å |
| 591 | L | 75.2 | Confident | 70.3 | Confident | 22 Ų | 22 | 45.4 Ų | 45.4 | 12% | 0.115 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 2.5 | 172.4 | -65.6 | 172 | 0 | 0 | 0 | 112.7 | W587 N588 E589 L593 T599 F605 A608 | W587-L591 WeakPolarHBondContact O-CG 3.48Å; W587-L591 PolarHBondContact O-N 3.05Å; N588-L591 CarbonylContact O-C 3.37Å; N588-L591 PolarHBondContact O-N 3.13Å; E589-L591 VanDerWaalsContact C-N 3.25Å; E589-L591 PolarHBondContact O-N 2.88Å; L591-L593 HydrophobicContact CB-CD1 3.94Å; L591-L593 HydrophobicContact CB-CG 3.9Å; L591-L593 HydrophobicContact CD1-CD1 3.98Å; L591-L593 PolarHBondContact O-N 2.8Å; L591-T599 HydrophobicContact CD1-CG2 4.29Å; L591-F605 HydrophobicContact CD1-CE2 4.39Å; L591-F605 HydrophobicContact CD2-CD2 4.23Å; L591-F605 HydrophobicContact CD2-CE1 4.24Å; L591-F605 HydrophobicContact CD2-CE2 3.61Å; L591-F605 HydrophobicContact CD2-CZ 3.62Å; L591-F605 HydrophobicContact CG-CE2 3.78Å; L591-F605 HydrophobicContact CG-CZ 4.15Å; L591-A608 HydrophobicContact CD1-CB 3.67Å |
| 592 | G | 67.6 | Low | 70.6 | Confident | 72 Ų | 72 | 49.6 Ų | 49.6 | 74% | 0.742 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 10.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N588 E589 | N588-G592 PolarHBondContact O-N 3.12Å; E589-G592 PolarHBondContact O-N 2.88Å; E589-G592 VanDerWaalsContact O-N 3.12Å |
| 593 | L | 67.6 | Low | 70.4 | Confident | 66 Ų | 66 | 48.6 Ų | 48.6 | 35% | 0.346 | 27% | 0.274 | S | S | . | . | trans | -84.8 | 152.1 | 179.3 | -63 | 175.2 | 0 | 0 | 0 | 111.1 | N588 L591 T597 T599 | N588-L593 CarbonylContact C-O 3.6Å; N588-L593 HydrophobicContact CB-CB 4.04Å; N588-L593 WeakPolarHBondContact O-CB 3.4Å; N588-L593 PolarHBondContact O-N 2.95Å; L591-L593 HydrophobicContact CB-CD1 3.94Å; L591-L593 HydrophobicContact CB-CG 3.9Å; L591-L593 HydrophobicContact CD1-CD1 3.98Å; L591-L593 PolarHBondContact O-N 2.8Å; L593-T597 HydrophobicContact CB-CG2 4.34Å; L593-T597 HydrophobicContact CD1-CG2 4.15Å; L593-T597 HydrophobicContact CD2-CG2 4.47Å; L593-T599 HydrophobicContact CD1-CG2 3.95Å | ||
| 594 | S | 59.2 | Low | 70.4 | Confident | 51 Ų | 51 | 50 Ų | 50 | 36% | 0.357 | 28% | 0.282 | S | S | . | . | trans | -61.5 | 150.2 | 176.9 | 92 | 0 | 0 | 0 | 0 | 111.9 | N588 T596 T597 | N588-S594 WeakPolarHBondContact CB-O 3.24Å; N588-S594 PolarHBondContact ND2-O 3.4Å; S594-T596 PolarHBondContact O-N 2.83Å; S594-T596 PolarHBondContact OG-N 3.27Å; S594-T596 PolarHBondContact OG-OG1 3.36Å; S594-T597 PolarHBondContact N-OG1 2.94Å; S594-T597 WeakPolarHBondContact O-CB 3.29Å; S594-T597 PolarHBondContact O-N 2.85Å; S594-T597 PolarHBondContact O-OG1 3.09Å; S594-T597 PolarHBondContact OG-N 2.99Å; S594-T597 PolarHBondContact OG-OG1 2.79Å | ||
| 595 | R | 53.5 | Low | 70.5 | Confident | 133 Ų | 133 | 48.2 Ų | 48.2 | 50% | 0.502 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -18.2 | 177.1 | -66.3 | -171.6 | 171.9 | 123 | 5.1 | 113.9 | T585 E589 | T585-R595 HydrophobicContact CG2-CB 4.12Å; T585-R595 HydrophobicContact CG2-CG 3.75Å; E589-R595 HydrophobicContact CG-CG 4.22Å; E589-R595 IonicContact OE1-CZ 2.75Å; E589-R595 IonicContact OE1-NE 3.21Å; E589-R595 PolarHBondContact OE1-NE 2.98Å; E589-R595 IonicContact OE1-NH2 3.16Å; E589-R595 PolarHBondContact OE1-NH2 3.47Å |
| 596 | T | 47.8 | Very low | 70.7 | Confident | 35 Ų | 35 | 51.3 Ų | 51.3 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -3.8 | -179.9 | 45.2 | 0 | 0 | 0 | 0 | 113.7 | F488 S594 V598 | F488-T596 HydrophobicContact CB-CG2 4.37Å; F488-T596 HydrophobicContact CD1-CG2 4.11Å; F488-T596 HydrophobicContact CG-CG2 4.24Å; S594-T596 PolarHBondContact O-N 2.83Å; S594-T596 PolarHBondContact OG-N 3.27Å; S594-T596 PolarHBondContact OG-OG1 3.36Å; T596-V598 PolarHBondContact O-N 2.85Å |
| 597 | T | 55.1 | Low | 70.2 | Confident | 49 Ų | 49 | 57.5 Ų | 57.5 | 30% | 0.301 | 32% | 0.316 | S | S | . | . | trans | -59 | 134.9 | 177.5 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | N588 L593 S594 T599 | N588-T597 PolarHBondContact ND2-O 2.95Å; L593-T597 HydrophobicContact CB-CG2 4.34Å; L593-T597 HydrophobicContact CD1-CG2 4.15Å; L593-T597 HydrophobicContact CD2-CG2 4.47Å; S594-T597 PolarHBondContact N-OG1 2.94Å; S594-T597 WeakPolarHBondContact O-CB 3.29Å; S594-T597 PolarHBondContact O-N 2.85Å; S594-T597 PolarHBondContact O-OG1 3.09Å; S594-T597 PolarHBondContact OG-N 2.99Å; S594-T597 PolarHBondContact OG-OG1 2.79Å; T597-T599 PolarHBondContact O-N 3.49Å; T597-T599 VanDerWaalsContact O-N 3.13Å | ||
| 598 | V | 50 | Low | 69.6 | Low | 105 Ų | 105 | 59 Ų | 59 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | trans | -81.2 | 88.7 | 172 | -172.2 | 0 | 0 | 0 | 0 | 108.5 | T596 | T596-V598 PolarHBondContact O-N 2.85Š| ||
| 599 | T | 59.3 | Low | 69.1 | Low | 13 Ų | 13 | 62 Ų | 62 | 8% | 0.08 | 36% | 0.359 | C | S | . | . | trans | -65.2 | 144.9 | 164.1 | 23.1 | 0 | 0 | 0 | 0 | 110.1 | N588 L591 L593 T597 | N588-T599 WeakPolarHBondContact OD1-CG2 3.38Å; N588-T599 PolarHBondContact OD1-OG1 2.85Å; L591-T599 HydrophobicContact CD1-CG2 4.29Å; L593-T599 HydrophobicContact CD1-CG2 3.95Å; T597-T599 PolarHBondContact O-N 3.49Å; T597-T599 VanDerWaalsContact O-N 3.13Å | ||
| 600 | D | 67.2 | Low | 68.8 | Low | 106 Ų | 106 | 59.1 Ų | 59.1 | 57% | 0.567 | 35% | 0.349 | S | S | * | . | trans | -62.8 | 143 | 172.1 | -159.3 | -29.7 | 0 | 0 | 0 | 109.6 | D602 A603 | D600-D602 PolarHBondContact OD1-N 3.46Å; D600-D602 VanDerWaalsContact OD1-N 3.1Å; D600-A603 HydrophobicContact CB-CB 3.97Å | ||
| 601 | W | 75 | Confident | 68.6 | Low | 79 Ų | 79 | 60.4 Ų | 60.4 | 30% | 0.299 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -75.1 | -29.2 | 177.9 | -83.9 | 94.1 | 0 | 0 | 0 | 112.8 | K580 I584 L645 S646 C649 | K580-W601 HydrophobicContact CD-CH2 3.51Å; K580-W601 HydrophobicContact CD-CZ2 4.08Å; K580-W601 HydrophobicContact CD-CZ3 4.1Å; K580-W601 HydrophobicContact CG-CH2 3.48Å; K580-W601 VanDerWaalsContact CG-CH2 3.48Å; K580-W601 HydrophobicContact CG-CZ2 4.32Å; K580-W601 HydrophobicContact CG-CZ3 4.16Å; I584-W601 HydrophobicContact CD1-CH2 3.53Å; I584-W601 HydrophobicContact CD1-CZ2 3.48Å; I584-W601 VanDerWaalsContact CD1-CZ2 3.48Å; I584-W601 HydrophobicContact CG1-CH2 3.66Å; I584-W601 HydrophobicContact CG1-CZ2 4.01Å; W601-L645 HydrophobicContact CE3-CG 4.21Å; W601-L645 HydrophobicContact CZ3-CD2 4.41Å; W601-L645 HydrophobicContact CZ3-CG 3.91Å; W601-S646 VanDerWaalsContact O-CB 3.23Å; W601-S646 WeakPolarHBondContact O-CB 3.28Å; W601-S646 PolarHBondContact O-N 3.47Å; W601-S646 PolarHBondContact O-OG 3.37Å; W601-C649 HydrophobicContact CZ3-CB 4.38Å |
| 602 | D | 74.8 | Confident | 68.7 | Low | 117 Ų | 117 | 62.5 Ų | 62.5 | 63% | 0.626 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -111.7 | -1.4 | -167.2 | -60.9 | -42 | 0 | 0 | 0 | 113.3 | D600 S644 S646 | D600-D602 PolarHBondContact OD1-N 3.46Å; D600-D602 VanDerWaalsContact OD1-N 3.1Å; D602-S644 VanDerWaalsContact C-CB 3.42Å; D602-S644 WeakPolarHBondContact O-CB 3.36Å; D602-S646 PolarHBondContact OD1-OG 3.07Å; D602-S646 VanDerWaalsContact OD1-OG 3.1Å |
| 603 | A | 72.3 | Confident | 69 | Low | 19 Ų | 19 | 61.8 Ų | 61.8 | 16% | 0.157 | 35% | 0.353 | C | S | . | . | trans | -75.9 | 143.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D600 E607 S644 L645 | D600-A603 HydrophobicContact CB-CB 3.97Å; A603-E607 HydrophobicContact CB-CB 4.24Å; A603-S644 WeakPolarHBondContact O-CA 3.34Å; A603-S644 WeakPolarHBondContact O-CB 3.43Å; A603-L645 PolarHBondContact O-N 2.97Å | ||
| 604 | T | 83.3 | Confident | 69.7 | Low | 28 Ų | 28 | 62 Ų | 62 | 17% | 0.172 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -71.3 | 169.1 | 167 | 63.3 | 0 | 0 | 0 | 0 | 112 | M606 E607 A608 | T604-M606 VanDerWaalsContact C-N 3.26Å; T604-M606 PolarHBondContact O-N 3.27Å; T604-E607 VanDerWaalsContact CB-OE2 3.26Å; T604-E607 WeakPolarHBondContact CB-OE2 3.47Å; T604-E607 VanDerWaalsContact CG2-OE2 3.28Å; T604-E607 WeakPolarHBondContact CG2-OE2 3.35Å; T604-E607 PolarHBondContact N-OE2 3.02Å; T604-E607 PolarHBondContact O-N 3.01Å; T604-E607 VanDerWaalsContact OG1-CD 3.3Å; T604-E607 WeakPolarHBondContact OG1-CG 3.4Å; T604-E607 PolarHBondContact OG1-N 2.92Å; T604-E607 PolarHBondContact OG1-OE2 3.39Å; T604-A608 WeakPolarHBondContact O-CB 3.36Å; T604-A608 PolarHBondContact O-N 3.25Å; T604-A608 VanDerWaalsContact O-N 3.13Å |
| 605 | F | 83.7 | Confident | 70.9 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -33.6 | 177.3 | -169 | -102.1 | 0 | 0 | 0 | 112.9 | W587 L591 G610 M614 A615 L618 I640 | W587-F605 AromaticContact CD2-CD2 3.92Å; W587-F605 HydrophobicContact CD2-CD2 3.92Å; W587-F605 HydrophobicContact CD2-CE2 4.46Å; W587-F605 AromaticContact CE2-CD2 3.7Å; W587-F605 HydrophobicContact CE3-CD2 4.22Å; W587-F605 HydrophobicContact CH2-CB 3.78Å; W587-F605 HydrophobicContact CH2-CD2 4.12Å; W587-F605 HydrophobicContact CH2-CG 4.46Å; W587-F605 HydrophobicContact CZ2-CB 3.82Å; W587-F605 AromaticContact CZ2-CD2 3.84Å; W587-F605 HydrophobicContact CZ2-CD2 3.84Å; W587-F605 HydrophobicContact CZ2-CG 4.35Å; W587-F605 HydrophobicContact CZ3-CB 4.49Å; W587-F605 HydrophobicContact CZ3-CD2 4.29Å; L591-F605 HydrophobicContact CD1-CE2 4.39Å; L591-F605 HydrophobicContact CD2-CD2 4.23Å; L591-F605 HydrophobicContact CD2-CE1 4.24Å; L591-F605 HydrophobicContact CD2-CE2 3.61Å; L591-F605 HydrophobicContact CD2-CZ 3.62Å; L591-F605 HydrophobicContact CG-CE2 3.78Å; L591-F605 HydrophobicContact CG-CZ 4.15Å; F605-G610 VanDerWaalsContact O-CA 3.26Å; F605-G610 WeakPolarHBondContact O-CA 3.2Å; F605-G610 PolarHBondContact O-N 2.86Å; F605-M614 HydrophobicContact CE1-CB 3.72Å; F605-M614 HydrophobicContact CZ-CB 3.73Å; F605-A615 HydrophobicContact CD1-CB 3.7Å; F605-A615 HydrophobicContact CE1-CB 3.78Å; F605-A615 VanDerWaalsContact CE1-N 3.29Å; F605-L618 HydrophobicContact CD2-CD2 3.69Å; F605-L618 HydrophobicContact CE2-CD2 3.52Å; F605-L618 HydrophobicContact CZ-CD2 4.32Å; F605-I640 HydrophobicContact CB-CG2 3.83Å; F605-I640 VanDerWaalsContact CB-O 3.27Å; F605-I640 WeakPolarHBondContact CB-O 3.37Å; F605-I640 HydrophobicContact CD1-CG2 4.35Å; F605-I640 HydrophobicContact CD2-CG2 4.31Å; F605-I640 HydrophobicContact CG-CG2 3.89Å |
| 606 | M | 80.2 | Confident | 72.4 | Confident | 83 Ų | 83 | 57 Ų | 57 | 41% | 0.409 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -43.8 | 179.6 | -57.5 | -57.3 | -61.7 | 0 | 0 | 111.7 | T604 A608 G609 G610 F641 | T604-M606 VanDerWaalsContact C-N 3.26Å; T604-M606 PolarHBondContact O-N 3.27Å; M606-A608 PolarHBondContact O-N 3.38Å; M606-G609 PolarHBondContact O-N 3.36Å; M606-G610 VanDerWaalsContact CE-O 3.28Å; M606-G610 WeakPolarHBondContact CE-O 3.46Å; M606-F641 HydrophobicContact SD-CD1 4.27Å; M606-F641 HydrophobicContact SD-CE1 4.27Å |
| 607 | E | 75.3 | Confident | 73.8 | Confident | 140 Ų | 140 | 58.4 Ų | 58.4 | 65% | 0.654 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -29.9 | 175.5 | -69.7 | 162.1 | 131.6 | 0 | 0 | 112.4 | A603 T604 G609 | A603-E607 HydrophobicContact CB-CB 4.24Å; T604-E607 VanDerWaalsContact CB-OE2 3.26Å; T604-E607 WeakPolarHBondContact CB-OE2 3.47Å; T604-E607 VanDerWaalsContact CG2-OE2 3.28Å; T604-E607 WeakPolarHBondContact CG2-OE2 3.35Å; T604-E607 PolarHBondContact N-OE2 3.02Å; T604-E607 PolarHBondContact O-N 3.01Å; T604-E607 VanDerWaalsContact OG1-CD 3.3Å; T604-E607 WeakPolarHBondContact OG1-CG 3.4Å; T604-E607 PolarHBondContact OG1-N 2.92Å; T604-E607 PolarHBondContact OG1-OE2 3.39Å; E607-G609 PolarHBondContact O-N 3.46Å |
| 608 | A | 74.2 | Confident | 75.4 | Confident | 32 Ų | 32 | 56.1 Ų | 56.1 | 26% | 0.264 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 7.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L591 T604 M606 | L591-A608 HydrophobicContact CD1-CB 3.67Å; T604-A608 WeakPolarHBondContact O-CB 3.36Å; T604-A608 PolarHBondContact O-N 3.25Å; T604-A608 VanDerWaalsContact O-N 3.13Å; M606-A608 PolarHBondContact O-N 3.38Å |
| 609 | G | 69 | Low | 77.2 | Confident | 63 Ų | 63 | 51.1 Ų | 51.1 | 65% | 0.649 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.6 | 9.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115 | M606 E607 | M606-G609 PolarHBondContact O-N 3.36Å; E607-G609 PolarHBondContact O-N 3.46Å |
| 610 | G | 72.8 | Confident | 78.5 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 9% | 0.093 | 30% | 0.303 | C | S | . | . | trans | -75.2 | 158.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F605 M606 | F605-G610 VanDerWaalsContact O-CA 3.26Å; F605-G610 WeakPolarHBondContact O-CA 3.2Å; F605-G610 PolarHBondContact O-N 2.86Å; M606-G610 VanDerWaalsContact CE-O 3.28Å; M606-G610 WeakPolarHBondContact CE-O 3.46Å | ||
| 611 | S | 78 | Confident | 79.3 | Confident | 47 Ų | 47 | 50 Ų | 50 | 33% | 0.329 | 28% | 0.284 | S | S | . | . | trans | -119.2 | 162.8 | 171.8 | 67.5 | 0 | 0 | 0 | 0 | 111.3 | L613 M614 A615 | S611-L613 PolarHBondContact O-N 2.88Å; S611-L613 VanDerWaalsContact O-N 3.16Å; S611-M614 WeakPolarHBondContact O-CB 3.44Å; S611-M614 PolarHBondContact O-N 2.86Å; S611-M614 WeakPolarHBondContact OG-CG 3.44Å; S611-M614 PolarHBondContact OG-N 2.74Å; S611-M614 PolarHBondContact OG-SD 2.85Å; S611-A615 PolarHBondContact O-N 3.49Å | ||
| 612 | S | 76.5 | Confident | 79.9 | Confident | 66 Ų | 66 | 46.3 Ų | 46.3 | 46% | 0.462 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57 | -33.3 | 179.9 | -46.9 | 0 | 0 | 0 | 0 | 113.8 | L616 | S612-L616 WeakPolarHBondContact O-CG 3.46Å; S612-L616 PolarHBondContact O-N 2.88Å; S612-L616 VanDerWaalsContact O-N 3.1Å |
| 613 | L | 74 | Confident | 80.6 | Confident | 56 Ų | 56 | 41.4 Ų | 41.4 | 29% | 0.293 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.7 | -44.8 | 174.4 | -180 | 69.9 | 0 | 0 | 0 | 111.8 | S611 A615 L616 H617 P867 L890 | S611-L613 PolarHBondContact O-N 2.88Å; S611-L613 VanDerWaalsContact O-N 3.16Å; L613-A615 VanDerWaalsContact C-N 3.3Å; L613-A615 PolarHBondContact O-N 2.98Å; L613-L616 PolarHBondContact O-N 3Å; L613-H617 PolarHBondContact O-CD2 3.14Å; L613-H617 PolarHBondContact O-N 3.22Å; L613-P867 HydrophobicContact CD2-CG 4.33Å; L613-L890 HydrophobicContact CD1-CD1 4.16Å; L613-L890 HydrophobicContact CD2-CD1 3.35Å; L613-L890 HydrophobicContact CG-CD1 4.4Å |
| 614 | M | 83.4 | Confident | 80.8 | Confident | 70 Ų | 70 | 44.7 Ų | 44.7 | 35% | 0.345 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 175.9 | -68.5 | 158 | 151.7 | 0 | 0 | 111.3 | S590 F605 S611 H617 L618 | S590-M614 WeakPolarHBondContact O-CB 3.22Å; S590-M614 WeakPolarHBondContact O-CG 3.36Å; F605-M614 HydrophobicContact CE1-CB 3.72Å; F605-M614 HydrophobicContact CZ-CB 3.73Å; S611-M614 WeakPolarHBondContact O-CB 3.44Å; S611-M614 PolarHBondContact O-N 2.86Å; S611-M614 WeakPolarHBondContact OG-CG 3.44Å; S611-M614 PolarHBondContact OG-N 2.74Å; S611-M614 PolarHBondContact OG-SD 2.85Å; M614-H617 PolarHBondContact O-N 3.45Å; M614-L618 WeakPolarHBondContact O-CB 3.46Å; M614-L618 PolarHBondContact O-N 3.39Å |
| 615 | A | 83.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F605 S611 L613 L618 V619 I640 F641 | F605-A615 HydrophobicContact CD1-CB 3.7Å; F605-A615 HydrophobicContact CE1-CB 3.78Å; F605-A615 VanDerWaalsContact CE1-N 3.29Å; S611-A615 PolarHBondContact O-N 3.49Å; L613-A615 VanDerWaalsContact C-N 3.3Å; L613-A615 PolarHBondContact O-N 2.98Å; A615-L618 WeakPolarHBondContact O-CB 3.47Å; A615-L618 PolarHBondContact O-N 3.44Å; A615-V619 WeakPolarHBondContact O-CG2 3.38Å; A615-V619 PolarHBondContact O-N 2.89Å; A615-I640 HydrophobicContact CB-CG2 4Å; A615-F641 HydrophobicContact CB-CE1 3.96Å; A615-F641 HydrophobicContact CB-CE2 4.09Å; A615-F641 HydrophobicContact CB-CZ 3.68Å |
| 616 | L | 84.8 | Confident | 80.7 | Confident | 81 Ų | 81 | 48.6 Ų | 48.6 | 42% | 0.424 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 175.1 | -70 | 171.3 | 0 | 0 | 0 | 112.1 | S612 L613 L618 V619 E620 V637 | S612-L616 WeakPolarHBondContact O-CG 3.46Å; S612-L616 PolarHBondContact O-N 2.88Å; S612-L616 VanDerWaalsContact O-N 3.1Å; L613-L616 PolarHBondContact O-N 3Å; L616-L618 VanDerWaalsContact C-N 3.3Å; L616-L618 PolarHBondContact O-N 3.47Å; L616-V619 WeakPolarHBondContact O-CB 3.31Å; L616-V619 PolarHBondContact O-N 2.95Å; L616-E620 PolarHBondContact O-N 3.17Å; L616-V637 HydrophobicContact CD2-CG2 4.37Å |
| 617 | H | 78 | Confident | 80.7 | Confident | 64 Ų | 64 | 48.8 Ų | 48.8 | 30% | 0.296 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.6 | -36.2 | 172 | -77.7 | -48.2 | 0 | 0 | 0 | 112.7 | L613 M614 E620 T621 | L613-H617 PolarHBondContact O-CD2 3.14Å; L613-H617 PolarHBondContact O-N 3.22Å; M614-H617 PolarHBondContact O-N 3.45Å; H617-E620 PolarHBondContact O-N 2.9Å; H617-T621 WeakPolarHBondContact O-CB 3.47Å; H617-T621 PolarHBondContact O-N 3.43Å; H617-T621 PolarHBondContact O-OG1 3.2Å |
| 618 | L | 87.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 173.4 | -180 | 57.9 | 0 | 0 | 0 | 111.8 | M586 W587 S590 F605 M614 A615 L616 T621 I622 I640 | M586-L618 HydrophobicContact CB-CD1 3.84Å; M586-L618 WeakPolarHBondContact O-CD1 3.45Å; W587-L618 HydrophobicContact CB-CD1 4.49Å; W587-L618 HydrophobicContact CB-CD2 4.34Å; W587-L618 HydrophobicContact CD2-CD2 3.99Å; W587-L618 HydrophobicContact CE3-CD2 3.55Å; W587-L618 HydrophobicContact CG-CD2 4.33Å; W587-L618 HydrophobicContact CZ3-CD2 4.19Å; S590-L618 WeakPolarHBondContact OG-CD1 3.48Å; F605-L618 HydrophobicContact CD2-CD2 3.69Å; F605-L618 HydrophobicContact CE2-CD2 3.52Å; F605-L618 HydrophobicContact CZ-CD2 4.32Å; M614-L618 WeakPolarHBondContact O-CB 3.46Å; M614-L618 PolarHBondContact O-N 3.39Å; A615-L618 WeakPolarHBondContact O-CB 3.47Å; A615-L618 PolarHBondContact O-N 3.44Å; L616-L618 VanDerWaalsContact C-N 3.3Å; L616-L618 PolarHBondContact O-N 3.47Å; L618-T621 PolarHBondContact O-N 3.29Å; L618-I622 HydrophobicContact CD1-CD1 3.71Å; L618-I622 HydrophobicContact CD1-CG1 4.03Å; L618-I622 HydrophobicContact CD2-CD1 4.46Å; L618-I622 HydrophobicContact CG-CD1 3.7Å; L618-I622 HydrophobicContact CG-CG1 4.43Å; L618-I622 WeakPolarHBondContact O-CB 3.29Å; L618-I622 VanDerWaalsContact O-CG1 3.27Å; L618-I622 WeakPolarHBondContact O-CG1 3.48Å; L618-I622 PolarHBondContact O-N 2.67Å; L618-I640 HydrophobicContact CD2-CD1 4.23Å; L618-I640 HydrophobicContact CD2-CG2 4.2Å; L618-I640 HydrophobicContact CG-CD1 4.16Å |
| 619 | V | 89.8 | Confident | 81.4 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.1 | -51.6 | 173.2 | 167.6 | 0 | 0 | 0 | 0 | 110.8 | A615 L616 T621 I622 I623 K633 L636 V637 I640 | A615-V619 WeakPolarHBondContact O-CG2 3.38Å; A615-V619 PolarHBondContact O-N 2.89Å; L616-V619 WeakPolarHBondContact O-CB 3.31Å; L616-V619 PolarHBondContact O-N 2.95Å; V619-T621 VanDerWaalsContact C-N 3.35Å; V619-T621 PolarHBondContact O-N 2.86Å; V619-I622 PolarHBondContact O-N 3.46Å; V619-I623 HydrophobicContact CG1-CD1 3.81Å; V619-I623 WeakPolarHBondContact O-CG1 3.45Å; V619-I623 PolarHBondContact O-N 2.71Å; V619-K633 HydrophobicContact CG1-CG 4.14Å; V619-L636 HydrophobicContact CG1-CD2 4.22Å; V619-L636 HydrophobicContact CG2-CG 4.37Å; V619-V637 HydrophobicContact CB-CG2 4.44Å; V619-V637 HydrophobicContact CG1-CG2 3.93Å; V619-V637 HydrophobicContact CG2-CB 4.45Å; V619-V637 HydrophobicContact CG2-CG2 3.82Å; V619-I640 HydrophobicContact CG2-CD1 3.72Å |
| 620 | E | 85.3 | Confident | 82.1 | Confident | 70 Ų | 70 | 45.7 Ų | 45.7 | 33% | 0.327 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 178.8 | -58.9 | -52.8 | 160 | 0 | 0 | 111.9 | L616 H617 I622 I623 Q624 K633 | L616-E620 PolarHBondContact O-N 3.17Å; H617-E620 PolarHBondContact O-N 2.9Å; E620-I622 VanDerWaalsContact C-N 3.35Å; E620-I622 PolarHBondContact O-N 2.61Å; E620-I623 PolarHBondContact O-N 3.16Å; E620-Q624 WeakPolarHBondContact O-CB 3.4Å; E620-Q624 VanDerWaalsContact O-CG 3.32Å; E620-Q624 WeakPolarHBondContact O-CG 3.22Å; E620-Q624 PolarHBondContact O-N 3.5Å; E620-K633 VanDerWaalsContact CD-NZ 3.32Å; E620-K633 WeakPolarHBondContact OE1-CE 3.5Å; E620-K633 IonicContact OE1-NZ 2.76Å; E620-K633 PolarHBondContact OE1-NZ 3.28Å; E620-K633 IonicContact OE2-NZ 3.72Å; E620-K633 PolarHBondContact OE2-NZ 3.34Å |
| 621 | T | 85.3 | Confident | 82.6 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 16% | 0.16 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65 | -39.5 | 179.1 | -52 | 0 | 0 | 0 | 0 | 111.3 | M586 H617 L618 V619 Q624 E625 | M586-T621 HydrophobicContact CB-CG2 4.24Å; M586-T621 HydrophobicContact CG-CG2 3.87Å; M586-T621 HydrophobicContact SD-CG2 3.73Å; H617-T621 WeakPolarHBondContact O-CB 3.47Å; H617-T621 PolarHBondContact O-N 3.43Å; H617-T621 PolarHBondContact O-OG1 3.2Å; L618-T621 PolarHBondContact O-N 3.29Å; V619-T621 VanDerWaalsContact C-N 3.35Å; V619-T621 PolarHBondContact O-N 2.86Å; T621-Q624 PolarHBondContact O-N 3.47Å; T621-E625 PolarHBondContact O-N 2.87Å; T621-E625 VanDerWaalsContact O-N 3.07Å |
| 622 | I | 87.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 173.4 | -73.4 | 165.2 | 0 | 0 | 0 | 111.5 | M586 L618 V619 E620 F626 L629 L636 I640 I652 | M586-I622 HydrophobicContact CE-CB 4.42Å; M586-I622 HydrophobicContact CE-CG1 3.68Å; M586-I622 HydrophobicContact SD-CG1 4.36Å; L618-I622 HydrophobicContact CD1-CD1 3.71Å; L618-I622 HydrophobicContact CD1-CG1 4.03Å; L618-I622 HydrophobicContact CD2-CD1 4.46Å; L618-I622 HydrophobicContact CG-CD1 3.7Å; L618-I622 HydrophobicContact CG-CG1 4.43Å; L618-I622 WeakPolarHBondContact O-CB 3.29Å; L618-I622 VanDerWaalsContact O-CG1 3.27Å; L618-I622 WeakPolarHBondContact O-CG1 3.48Å; L618-I622 PolarHBondContact O-N 2.67Å; V619-I622 PolarHBondContact O-N 3.46Å; E620-I622 VanDerWaalsContact C-N 3.35Å; E620-I622 PolarHBondContact O-N 2.61Å; I622-F626 HydrophobicContact CG2-CD2 4.26Å; I622-F626 WeakPolarHBondContact O-CB 3.35Å; I622-F626 WeakPolarHBondContact O-CD2 3.5Å; I622-F626 PolarHBondContact O-N 2.75Å; I622-L629 HydrophobicContact CG2-CD1 3.59Å; I622-L636 HydrophobicContact CB-CD2 4.14Å; I622-L636 HydrophobicContact CG2-CD1 4.29Å; I622-L636 HydrophobicContact CG2-CD2 3.58Å; I622-I640 HydrophobicContact CD1-CD1 3.81Å; I622-I652 HydrophobicContact CD1-CD1 3.99Å; I622-I652 HydrophobicContact CG1-CD1 4.4Å; I622-I652 HydrophobicContact CG2-CD1 3.69Å; I622-I652 HydrophobicContact CG2-CG1 4.23Å |
| 623 | I | 87.6 | Confident | 83.4 | Confident | 15 Ų | 15 | 54.3 Ų | 54.3 | 8% | 0.077 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.2 | -36.8 | 177.1 | -68.8 | 170.3 | 0 | 0 | 0 | 111.1 | V619 E620 F626 P627 L629 I630 K633 L636 | V619-I623 HydrophobicContact CG1-CD1 3.81Å; V619-I623 WeakPolarHBondContact O-CG1 3.45Å; V619-I623 PolarHBondContact O-N 2.71Å; E620-I623 PolarHBondContact O-N 3.16Å; I623-F626 CarbonylContact O-C 3.57Å; I623-F626 PolarHBondContact O-N 2.94Å; I623-P627 WeakPolarHBondContact O-CA 3.3Å; I623-L629 HydrophobicContact CG1-CB 4.21Å; I623-I630 HydrophobicContact CG2-CB 4.13Å; I623-I630 HydrophobicContact CG2-CG1 4.37Å; I623-K633 HydrophobicContact CD1-CB 3.93Å; I623-K633 HydrophobicContact CD1-CD 3.93Å; I623-K633 HydrophobicContact CD1-CG 3.73Å; I623-L636 HydrophobicContact CD1-CD2 4.35Å; I623-L636 HydrophobicContact CG1-CD2 4Å |
| 624 | Q | 77.2 | Confident | 83.8 | Confident | 87 Ų | 87 | 59.5 Ų | 59.5 | 41% | 0.407 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 172.2 | -74.5 | 175.3 | 12 | 0 | 0 | 111.7 | E620 T621 | E620-Q624 WeakPolarHBondContact O-CB 3.4Å; E620-Q624 VanDerWaalsContact O-CG 3.32Å; E620-Q624 WeakPolarHBondContact O-CG 3.22Å; E620-Q624 PolarHBondContact O-N 3.5Å; T621-Q624 PolarHBondContact O-N 3.47Å |
| 625 | E | 81.5 | Confident | 83.9 | Confident | 86 Ų | 86 | 60.7 Ų | 60.7 | 40% | 0.402 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -76.5 | -26 | 179.6 | -170.8 | 63 | -147.1 | 0 | 0 | 112.8 | K582 M586 T621 | K582-E625 HydrophobicContact CD-CG 4Å; K582-E625 VanDerWaalsContact CD-OE1 3.3Å; K582-E625 WeakPolarHBondContact CD-OE1 3.43Å; K582-E625 WeakPolarHBondContact CE-OE1 3.4Å; K582-E625 IonicContact NZ-OE1 3.39Å; K582-E625 PolarHBondContact NZ-OE1 2.87Å; M586-E625 HydrophobicContact CE-CB 4.16Å; M586-E625 HydrophobicContact CE-CG 4.26Å; M586-E625 HydrophobicContact SD-CB 3.76Å; M586-E625 HydrophobicContact SD-CG 4.13Å; T621-E625 PolarHBondContact O-N 2.87Å; T621-E625 VanDerWaalsContact O-N 3.07Å |
| 626 | F | 84.2 | Confident | 84.2 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | trans | -133.8 | 72.6 | 178.7 | -52.9 | -68.5 | 0 | 0 | 0 | 112.7 | I579 K582 V583 M586 I622 I623 V628 L629 I652 | I579-F626 HydrophobicContact CB-CE1 4.47Å; I579-F626 HydrophobicContact CB-CZ 4.23Å; I579-F626 HydrophobicContact CG1-CE1 3.86Å; I579-F626 HydrophobicContact CG1-CZ 4.12Å; I579-F626 HydrophobicContact CG2-CE1 4.37Å; I579-F626 HydrophobicContact CG2-CE2 4.39Å; I579-F626 HydrophobicContact CG2-CZ 3.97Å; K582-F626 HydrophobicContact CB-CZ 4.06Å; K582-F626 HydrophobicContact CD-CZ 4.11Å; V583-F626 HydrophobicContact CG2-CE2 4.05Å; M586-F626 HydrophobicContact CE-CD2 4.44Å; M586-F626 HydrophobicContact CE-CE2 3.84Å; I622-F626 HydrophobicContact CG2-CD2 4.26Å; I622-F626 WeakPolarHBondContact O-CB 3.35Å; I622-F626 WeakPolarHBondContact O-CD2 3.5Å; I622-F626 PolarHBondContact O-N 2.75Å; I623-F626 CarbonylContact O-C 3.57Å; I623-F626 PolarHBondContact O-N 2.94Å; F626-V628 PolarHBondContact O-N 2.87Å; F626-L629 HydrophobicContact CB-CD1 3.96Å; F626-L629 HydrophobicContact CB-CG 4.27Å; F626-L629 WeakPolarHBondContact O-CB 3.48Å; F626-L629 PolarHBondContact O-N 2.92Å; F626-I652 HydrophobicContact CD2-CG2 3.72Å; F626-I652 HydrophobicContact CE2-CG2 3.84Å; F626-I652 HydrophobicContact CG-CG2 4.26Å; F626-I652 HydrophobicContact CZ-CG2 4.48Å | ||
| 627 | P | 78.7 | Confident | 84.4 | Confident | 86 Ų | 86 | 58.4 Ų | 58.4 | 56% | 0.558 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -56.4 | -21.9 | -172.8 | -30.2 | 37.3 | 0 | 0 | 0 | 116.2 | I623 L629 I630 | I623-P627 WeakPolarHBondContact O-CA 3.3Å; P627-L629 PolarHBondContact O-N 3.14Å; P627-L629 VanDerWaalsContact O-N 3.08Å; P627-I630 WeakPolarHBondContact O-CB 3.33Å; P627-I630 VanDerWaalsContact O-CG2 3.27Å; P627-I630 WeakPolarHBondContact O-CG2 3.36Å; P627-I630 PolarHBondContact O-N 3Å; P627-I630 VanDerWaalsContact O-N 3.09Å |
| 628 | V | 80.8 | Confident | 84.7 | Confident | 65 Ų | 65 | 59 Ų | 59 | 39% | 0.394 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -56.1 | -21.4 | 172.2 | -175.7 | 0 | 0 | 0 | 0 | 112.7 | F626 | F626-V628 PolarHBondContact O-N 2.87Š|
| 629 | L | 84.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -81.6 | -6.8 | 178.4 | -68 | 177.4 | 0 | 0 | 0 | 115 | I622 I623 F626 P627 N631 K632 K633 L636 F651 I652 S655 | I622-L629 HydrophobicContact CG2-CD1 3.59Å; I623-L629 HydrophobicContact CG1-CB 4.21Å; F626-L629 HydrophobicContact CB-CD1 3.96Å; F626-L629 HydrophobicContact CB-CG 4.27Å; F626-L629 WeakPolarHBondContact O-CB 3.48Å; F626-L629 PolarHBondContact O-N 2.92Å; P627-L629 PolarHBondContact O-N 3.14Å; P627-L629 VanDerWaalsContact O-N 3.08Å; L629-N631 VanDerWaalsContact C-N 3.29Å; L629-N631 PolarHBondContact O-N 2.99Å; L629-K632 CarbonylContact O-C 3.45Å; L629-K632 WeakPolarHBondContact O-CA 3.31Å; L629-K632 PolarHBondContact O-N 2.89Å; L629-K633 PolarHBondContact O-N 3.35Å; L629-L636 HydrophobicContact CD1-CD2 4.29Å; L629-F651 HydrophobicContact CD2-CE1 4.14Å; L629-I652 HydrophobicContact CD1-CB 4.39Å; L629-I652 HydrophobicContact CD1-CG1 3.93Å; L629-I652 HydrophobicContact CD1-CG2 4.07Å; L629-S655 VanDerWaalsContact CD2-CB 3.49Å |
| 630 | I | 82.2 | Confident | 84.6 | Confident | 106 Ų | 106 | 60 Ų | 60 | 54% | 0.544 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -57.7 | -41.7 | -177 | -164 | 169.3 | 0 | 0 | 0 | 112.1 | I623 P627 K632 K633 | I623-I630 HydrophobicContact CG2-CB 4.13Å; I623-I630 HydrophobicContact CG2-CG1 4.37Å; P627-I630 WeakPolarHBondContact O-CB 3.33Å; P627-I630 VanDerWaalsContact O-CG2 3.27Å; P627-I630 WeakPolarHBondContact O-CG2 3.36Å; P627-I630 PolarHBondContact O-N 3Å; P627-I630 VanDerWaalsContact O-N 3.09Å; I630-K632 PolarHBondContact O-N 3.09Å; I630-K633 WeakPolarHBondContact O-CB 3.34Å; I630-K633 PolarHBondContact O-N 2.77Å |
| 631 | N | 83 | Confident | 84.4 | Confident | 152 Ų | 152 | 59.9 Ų | 59.9 | 81% | 0.813 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -73.6 | 7.2 | 174.7 | -63.5 | 1.5 | 0 | 0 | 0 | 113.9 | L629 | L629-N631 VanDerWaalsContact C-N 3.29Å; L629-N631 PolarHBondContact O-N 2.99Å |
| 632 | K | 85.6 | Confident | 84.2 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 32% | 0.317 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -132 | 18.6 | 176.4 | -59.8 | -166.3 | -178.4 | -170.4 | 0 | 112.3 | L629 I630 E634 N635 L636 F651 S655 | L629-K632 CarbonylContact O-C 3.45Å; L629-K632 WeakPolarHBondContact O-CA 3.31Å; L629-K632 PolarHBondContact O-N 2.89Å; I630-K632 PolarHBondContact O-N 3.09Å; K632-E634 PolarHBondContact O-N 2.89Å; K632-N635 PolarHBondContact O-N 3.19Å; K632-L636 PolarHBondContact O-N 3.08Å; K632-F651 HydrophobicContact CB-CZ 4.02Å; K632-F651 HydrophobicContact CD-CE2 4.32Å; K632-F651 HydrophobicContact CD-CZ 3.83Å; K632-S655 PolarHBondContact NZ-OG 3.32Å |
| 633 | K | 86.2 | Confident | 84.3 | Confident | 78 Ų | 78 | 66 Ų | 66 | 34% | 0.339 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -53.2 | -48.5 | -175.2 | -178.1 | 167.4 | -176.4 | 166.1 | 0 | 112.9 | V619 E620 I623 L629 I630 N635 L636 V637 | V619-K633 HydrophobicContact CG1-CG 4.14Å; E620-K633 VanDerWaalsContact CD-NZ 3.32Å; E620-K633 WeakPolarHBondContact OE1-CE 3.5Å; E620-K633 IonicContact OE1-NZ 2.76Å; E620-K633 PolarHBondContact OE1-NZ 3.28Å; E620-K633 IonicContact OE2-NZ 3.72Å; E620-K633 PolarHBondContact OE2-NZ 3.34Å; I623-K633 HydrophobicContact CD1-CB 3.93Å; I623-K633 HydrophobicContact CD1-CD 3.93Å; I623-K633 HydrophobicContact CD1-CG 3.73Å; L629-K633 PolarHBondContact O-N 3.35Å; I630-K633 WeakPolarHBondContact O-CB 3.34Å; I630-K633 PolarHBondContact O-N 2.77Å; K633-N635 PolarHBondContact O-N 3.04Å; K633-L636 WeakPolarHBondContact O-CB 3.49Å; K633-L636 PolarHBondContact O-N 2.97Å; K633-L636 VanDerWaalsContact O-N 3.12Å; K633-V637 HydrophobicContact CG-CG2 4.49Å; K633-V637 VanDerWaalsContact O-CG2 3.32Å; K633-V637 WeakPolarHBondContact O-CG2 3.36Å; K633-V637 PolarHBondContact O-N 3.43Å |
| 634 | E | 83.1 | Confident | 84.3 | Confident | 164 Ų | 164 | 66.2 Ų | 66.2 | 77% | 0.766 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.6 | -47.4 | 178.9 | -63.2 | 171.7 | 168.3 | 0 | 0 | 112.1 | K632 L636 V637 S638 | K632-E634 PolarHBondContact O-N 2.89Å; E634-L636 VanDerWaalsContact C-N 3.31Å; E634-L636 PolarHBondContact O-N 2.93Å; E634-V637 WeakPolarHBondContact O-CB 3.3Å; E634-V637 PolarHBondContact O-N 2.83Å; E634-S638 PolarHBondContact O-N 3.47Å; E634-S638 PolarHBondContact O-OG 2.97Å |
| 635 | N | 86.3 | Confident | 84.6 | Confident | 95 Ų | 95 | 62.1 Ų | 62.1 | 51% | 0.508 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 175.4 | -72 | -39 | 0 | 0 | 0 | 111.9 | K632 K633 L639 F651 | K632-N635 PolarHBondContact O-N 3.19Å; K633-N635 PolarHBondContact O-N 3.04Å; N635-L639 VanDerWaalsContact O-CB 3.28Å; N635-L639 WeakPolarHBondContact O-CB 3.5Å; N635-L639 WeakPolarHBondContact O-CD1 3.42Å; N635-L639 PolarHBondContact O-N 2.84Å; N635-F651 HydrophobicContact CB-CE2 4.21Å; N635-F651 HydrophobicContact CB-CZ 3.78Å |
| 636 | L | 89.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 178.2 | -178.7 | 64.2 | 0 | 0 | 0 | 112.4 | V619 I622 I623 L629 K632 K633 E634 L639 I640 F651 I652 | V619-L636 HydrophobicContact CG1-CD2 4.22Å; V619-L636 HydrophobicContact CG2-CG 4.37Å; I622-L636 HydrophobicContact CB-CD2 4.14Å; I622-L636 HydrophobicContact CG2-CD1 4.29Å; I622-L636 HydrophobicContact CG2-CD2 3.58Å; I623-L636 HydrophobicContact CD1-CD2 4.35Å; I623-L636 HydrophobicContact CG1-CD2 4Å; L629-L636 HydrophobicContact CD1-CD2 4.29Å; K632-L636 PolarHBondContact O-N 3.08Å; K633-L636 WeakPolarHBondContact O-CB 3.49Å; K633-L636 PolarHBondContact O-N 2.97Å; K633-L636 VanDerWaalsContact O-N 3.12Å; E634-L636 VanDerWaalsContact C-N 3.31Å; E634-L636 PolarHBondContact O-N 2.93Å; L636-L639 PolarHBondContact O-N 2.91Å; L636-I640 HydrophobicContact CD1-CD1 3.97Å; L636-I640 HydrophobicContact CD1-CG1 4.44Å; L636-I640 HydrophobicContact CG-CD1 4.06Å; L636-I640 WeakPolarHBondContact O-CG1 3.41Å; L636-I640 PolarHBondContact O-N 3.11Å; L636-I640 VanDerWaalsContact O-N 3.09Å; L636-F651 HydrophobicContact CB-CE1 4.17Å; L636-F651 HydrophobicContact CD1-CD1 4.23Å; L636-F651 HydrophobicContact CD1-CE1 4.26Å; L636-I652 HydrophobicContact CD1-CD1 4.13Å; L636-I652 HydrophobicContact CD1-CG1 4.13Å |
| 637 | V | 87.1 | Confident | 84.6 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 21% | 0.206 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.5 | -57 | 172.9 | 171.8 | 0 | 0 | 0 | 0 | 109.4 | L616 V619 K633 E634 L639 I640 F641 | L616-V637 HydrophobicContact CD2-CG2 4.37Å; V619-V637 HydrophobicContact CB-CG2 4.44Å; V619-V637 HydrophobicContact CG1-CG2 3.93Å; V619-V637 HydrophobicContact CG2-CB 4.45Å; V619-V637 HydrophobicContact CG2-CG2 3.82Å; K633-V637 HydrophobicContact CG-CG2 4.49Å; K633-V637 VanDerWaalsContact O-CG2 3.32Å; K633-V637 WeakPolarHBondContact O-CG2 3.36Å; K633-V637 PolarHBondContact O-N 3.43Å; E634-V637 WeakPolarHBondContact O-CB 3.3Å; E634-V637 PolarHBondContact O-N 2.83Å; V637-L639 VanDerWaalsContact C-N 3.28Å; V637-L639 PolarHBondContact O-N 3.17Å; V637-I640 PolarHBondContact O-N 2.9Å; V637-I640 VanDerWaalsContact O-N 3.11Å; V637-F641 HydrophobicContact CG1-CD2 3.81Å; V637-F641 HydrophobicContact CG1-CE2 3.82Å; V637-F641 WeakPolarHBondContact O-CD2 3.48Å; V637-F641 PolarHBondContact O-N 3.34Å; V637-F641 VanDerWaalsContact O-N 3.14Å |
| 638 | S | 85.3 | Confident | 85 | Confident | 75 Ų | 75 | 60.3 Ų | 60.3 | 52% | 0.524 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.4 | -38.3 | 179.9 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | E634 F641 A642 | E634-S638 PolarHBondContact O-N 3.47Å; E634-S638 PolarHBondContact O-OG 2.97Å; S638-F641 PolarHBondContact O-N 2.87Å; S638-A642 VanDerWaalsContact O-CB 3.26Å; S638-A642 WeakPolarHBondContact O-CB 3.41Å; S638-A642 PolarHBondContact O-N 2.83Å |
| 639 | L | 88.4 | Confident | 85.3 | Confident | 22 Ų | 22 | 57.3 Ų | 57.3 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 176.2 | -101.5 | 148 | 0 | 0 | 0 | 113.7 | N635 L636 V637 H643 R647 V648 F651 | N635-L639 VanDerWaalsContact O-CB 3.28Å; N635-L639 WeakPolarHBondContact O-CB 3.5Å; N635-L639 WeakPolarHBondContact O-CD1 3.42Å; N635-L639 PolarHBondContact O-N 2.84Å; L636-L639 PolarHBondContact O-N 2.91Å; V637-L639 VanDerWaalsContact C-N 3.28Å; V637-L639 PolarHBondContact O-N 3.17Å; L639-H643 HydrophobicContact CD2-CB 4.25Å; L639-H643 WeakPolarHBondContact O-CB 3.27Å; L639-H643 PolarHBondContact O-N 2.81Å; L639-H643 VanDerWaalsContact O-N 3.09Å; L639-R647 HydrophobicContact CD2-CG 3.89Å; L639-V648 HydrophobicContact CB-CG2 4.3Å; L639-V648 HydrophobicContact CD2-CG2 4.4Å; L639-V648 WeakPolarHBondContact O-CG2 3.45Å; L639-F651 HydrophobicContact CD1-CB 3.76Å; L639-F651 HydrophobicContact CD1-CD1 3.66Å; L639-F651 HydrophobicContact CD1-CD2 3.38Å; L639-F651 HydrophobicContact CD1-CE1 3.99Å; L639-F651 HydrophobicContact CD1-CE2 3.72Å; L639-F651 HydrophobicContact CD1-CG 3.32Å; L639-F651 HydrophobicContact CD1-CZ 4Å; L639-F651 HydrophobicContact CD2-CB 4.31Å |
| 640 | I | 87.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -76.3 | -33.3 | -179.7 | -71.3 | 168.4 | 0 | 0 | 0 | 111.2 | W587 F605 A615 L618 V619 I622 L636 V637 V648 | W587-I640 HydrophobicContact CZ3-CG1 4.36Å; W587-I640 HydrophobicContact CZ3-CG2 4.49Å; F605-I640 HydrophobicContact CB-CG2 3.83Å; F605-I640 VanDerWaalsContact CB-O 3.27Å; F605-I640 WeakPolarHBondContact CB-O 3.37Å; F605-I640 HydrophobicContact CD1-CG2 4.35Å; F605-I640 HydrophobicContact CD2-CG2 4.31Å; F605-I640 HydrophobicContact CG-CG2 3.89Å; A615-I640 HydrophobicContact CB-CG2 4Å; L618-I640 HydrophobicContact CD2-CD1 4.23Å; L618-I640 HydrophobicContact CD2-CG2 4.2Å; L618-I640 HydrophobicContact CG-CD1 4.16Å; V619-I640 HydrophobicContact CG2-CD1 3.72Å; I622-I640 HydrophobicContact CD1-CD1 3.81Å; L636-I640 HydrophobicContact CD1-CD1 3.97Å; L636-I640 HydrophobicContact CD1-CG1 4.44Å; L636-I640 HydrophobicContact CG-CD1 4.06Å; L636-I640 WeakPolarHBondContact O-CG1 3.41Å; L636-I640 PolarHBondContact O-N 3.11Å; L636-I640 VanDerWaalsContact O-N 3.09Å; V637-I640 PolarHBondContact O-N 2.9Å; V637-I640 VanDerWaalsContact O-N 3.11Å; I640-V648 HydrophobicContact CD1-CG1 4.44Å; I640-V648 HydrophobicContact CG1-CG1 3.92Å; I640-V648 HydrophobicContact CG1-CG2 3.98Å |
| 641 | F | 81.2 | Confident | 85.5 | Confident | 68 Ų | 68 | 58.2 Ų | 58.2 | 30% | 0.298 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -75.1 | -40.1 | 174.6 | -79.8 | -70.3 | 0 | 0 | 0 | 113.8 | M606 A615 V637 S638 | M606-F641 HydrophobicContact SD-CD1 4.27Å; M606-F641 HydrophobicContact SD-CE1 4.27Å; A615-F641 HydrophobicContact CB-CE1 3.96Å; A615-F641 HydrophobicContact CB-CE2 4.09Å; A615-F641 HydrophobicContact CB-CZ 3.68Å; V637-F641 HydrophobicContact CG1-CD2 3.81Å; V637-F641 HydrophobicContact CG1-CE2 3.82Å; V637-F641 WeakPolarHBondContact O-CD2 3.48Å; V637-F641 PolarHBondContact O-N 3.34Å; V637-F641 VanDerWaalsContact O-N 3.14Å; S638-F641 PolarHBondContact O-N 2.87Å |
| 642 | A | 80.9 | Confident | 85.7 | Confident | 64 Ų | 64 | 51 Ų | 51 | 53% | 0.529 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -104.5 | -9.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S638 | S638-A642 VanDerWaalsContact O-CB 3.26Å; S638-A642 WeakPolarHBondContact O-CB 3.41Å; S638-A642 PolarHBondContact O-N 2.83Å |
| 643 | H | 88.5 | Confident | 85.5 | Confident | 90 Ų | 90 | 49.7 Ų | 49.7 | 42% | 0.417 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -136.6 | 163.1 | -174.1 | -62.6 | -36.4 | 0 | 0 | 0 | 113.5 | L639 R647 | L639-H643 HydrophobicContact CD2-CB 4.25Å; L639-H643 WeakPolarHBondContact O-CB 3.27Å; L639-H643 PolarHBondContact O-N 2.81Å; L639-H643 VanDerWaalsContact O-N 3.09Å; H643-R647 HydrophobicContact CB-CB 4.01Å; H643-R647 HydrophobicContact CB-CG 4.06Å |
| 644 | S | 87.2 | Confident | 85.2 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -77.1 | 161.6 | -176.1 | 59.4 | 0 | 0 | 0 | 0 | 114.3 | D602 A603 S646 R647 V648 | D602-S644 VanDerWaalsContact C-CB 3.42Å; D602-S644 WeakPolarHBondContact O-CB 3.36Å; A603-S644 WeakPolarHBondContact O-CA 3.34Å; A603-S644 WeakPolarHBondContact O-CB 3.43Å; S644-S646 PolarHBondContact O-N 3.1Å; S644-S646 VanDerWaalsContact O-N 3.12Å; S644-S646 PolarHBondContact OG-OG 2.93Å; S644-R647 PolarHBondContact O-N 2.98Å; S644-V648 PolarHBondContact O-N 3.37Å |
| 645 | L | 84.8 | Confident | 85 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -52.1 | -34.1 | 176.3 | 173.5 | 57.6 | 0 | 0 | 0 | 112.6 | V583 I584 W587 W601 A603 C649 | V583-L645 HydrophobicContact CG1-CD1 4.09Å; I584-L645 HydrophobicContact CG1-CD2 4.43Å; W587-L645 HydrophobicContact CB-CD1 4.25Å; W587-L645 HydrophobicContact CD2-CB 4.34Å; W587-L645 HydrophobicContact CD2-CD1 3.68Å; W587-L645 HydrophobicContact CD2-CG 4.4Å; W587-L645 HydrophobicContact CE3-CD1 3.69Å; W587-L645 HydrophobicContact CG-CD1 3.96Å; W587-L645 HydrophobicContact CG-CD2 4.48Å; W587-L645 HydrophobicContact CH2-CB 4.12Å; W587-L645 HydrophobicContact CZ2-CB 3.86Å; W587-L645 HydrophobicContact CZ3-CB 4.44Å; W587-L645 HydrophobicContact CZ3-CD1 4.28Å; W601-L645 HydrophobicContact CE3-CG 4.21Å; W601-L645 HydrophobicContact CZ3-CD2 4.41Å; W601-L645 HydrophobicContact CZ3-CG 3.91Å; A603-L645 PolarHBondContact O-N 2.97Å; L645-C649 WeakPolarHBondContact O-CB 3.19Å; L645-C649 PolarHBondContact O-N 2.74Å; L645-C649 PolarHBondContact O-SG 2.97Å |
| 646 | S | 80.9 | Confident | 84 | Confident | 37 Ų | 37 | 39.6 Ų | 39.6 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.4 | -45.8 | 175.4 | 63.1 | 0 | 0 | 0 | 0 | 112.5 | W601 D602 S644 E650 | W601-S646 VanDerWaalsContact O-CB 3.23Å; W601-S646 WeakPolarHBondContact O-CB 3.28Å; W601-S646 PolarHBondContact O-N 3.47Å; W601-S646 PolarHBondContact O-OG 3.37Å; D602-S646 PolarHBondContact OD1-OG 3.07Å; D602-S646 VanDerWaalsContact OD1-OG 3.1Å; S644-S646 PolarHBondContact O-N 3.1Å; S644-S646 VanDerWaalsContact O-N 3.12Å; S644-S646 PolarHBondContact OG-OG 2.93Å; S646-E650 PolarHBondContact O-N 2.82Å |
| 647 | R | 84.8 | Confident | 82.2 | Confident | 123 Ų | 123 | 43.8 Ų | 43.8 | 46% | 0.464 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -73.8 | -38.2 | -179.4 | -168.2 | 60.1 | 169.1 | 164.8 | -1.9 | 112.8 | L639 H643 S644 E650 F651 | L639-R647 HydrophobicContact CD2-CG 3.89Å; H643-R647 HydrophobicContact CB-CB 4.01Å; H643-R647 HydrophobicContact CB-CG 4.06Å; S644-R647 PolarHBondContact O-N 2.98Å; R647-E650 WeakPolarHBondContact CD-OE2 3.42Å; R647-E650 IonicContact CZ-OE2 3.98Å; R647-E650 IonicContact NE-OE2 2.58Å; R647-E650 IonicContact NH1-OE1 3.32Å; R647-E650 PolarHBondContact NH1-OE1 2.8Å; R647-E650 IonicContact NH1-OE2 3.2Å; R647-E650 PolarHBondContact NH1-OE2 2.94Å; R647-E650 WeakPolarHBondContact O-CB 3.17Å; R647-E650 PolarHBondContact O-N 2.93Å; R647-F651 PolarHBondContact O-N 2.86Å; R647-F651 VanDerWaalsContact O-N 3.08Å |
| 648 | V | 87.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 173.6 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | V583 W587 L639 I640 S644 E650 F651 I652 | V583-V648 HydrophobicContact CG1-CG1 4.38Å; W587-V648 HydrophobicContact CH2-CG2 4.42Å; W587-V648 HydrophobicContact CZ3-CB 4.11Å; W587-V648 HydrophobicContact CZ3-CG1 4.14Å; W587-V648 HydrophobicContact CZ3-CG2 3.96Å; L639-V648 HydrophobicContact CB-CG2 4.3Å; L639-V648 HydrophobicContact CD2-CG2 4.4Å; L639-V648 WeakPolarHBondContact O-CG2 3.45Å; I640-V648 HydrophobicContact CD1-CG1 4.44Å; I640-V648 HydrophobicContact CG1-CG1 3.92Å; I640-V648 HydrophobicContact CG1-CG2 3.98Å; S644-V648 PolarHBondContact O-N 3.37Å; V648-E650 VanDerWaalsContact C-N 3.27Å; V648-E650 PolarHBondContact O-N 3.28Å; V648-F651 PolarHBondContact O-N 3.18Å; V648-I652 HydrophobicContact CG1-CD1 3.74Å; V648-I652 WeakPolarHBondContact O-CD1 3.47Å; V648-I652 VanDerWaalsContact O-CG1 3.28Å; V648-I652 WeakPolarHBondContact O-CG1 3.24Å; V648-I652 PolarHBondContact O-N 2.77Å |
| 649 | C | 86.3 | Confident | 78 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.8 | -36.4 | 174.1 | -75.4 | 0 | 0 | 0 | 0 | 113.1 | K580 W601 L645 S653 | K580-C649 HydrophobicContact CG-CB 4.26Å; W601-C649 HydrophobicContact CZ3-CB 4.38Å; L645-C649 WeakPolarHBondContact O-CB 3.19Å; L645-C649 PolarHBondContact O-N 2.74Å; L645-C649 PolarHBondContact O-SG 2.97Å; C649-S653 WeakPolarHBondContact O-CB 3.18Å; C649-S653 PolarHBondContact O-N 2.86Å; C649-S653 VanDerWaalsContact O-N 3.15Å; C649-S653 PolarHBondContact O-OG 2.99Å |
| 650 | E | 83.2 | Confident | 75.2 | Confident | 87 Ų | 87 | 55.8 Ų | 55.8 | 41% | 0.407 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.2 | -49.8 | 179.6 | -167.5 | -170.3 | 169.3 | 0 | 0 | 111.6 | S646 R647 V648 I652 S653 L654 | S646-E650 PolarHBondContact O-N 2.82Å; R647-E650 WeakPolarHBondContact CD-OE2 3.42Å; R647-E650 IonicContact CZ-OE2 3.98Å; R647-E650 IonicContact NE-OE2 2.58Å; R647-E650 IonicContact NH1-OE1 3.32Å; R647-E650 PolarHBondContact NH1-OE1 2.8Å; R647-E650 IonicContact NH1-OE2 3.2Å; R647-E650 PolarHBondContact NH1-OE2 2.94Å; R647-E650 WeakPolarHBondContact O-CB 3.17Å; R647-E650 PolarHBondContact O-N 2.93Å; V648-E650 VanDerWaalsContact C-N 3.27Å; V648-E650 PolarHBondContact O-N 3.28Å; E650-I652 VanDerWaalsContact C-N 3.35Å; E650-I652 PolarHBondContact O-N 2.98Å; E650-S653 WeakPolarHBondContact O-CB 3.08Å; E650-S653 PolarHBondContact O-N 3.46Å; E650-S653 VanDerWaalsContact O-N 3.13Å; E650-L654 HydrophobicContact CG-CD1 4.13Å; E650-L654 WeakPolarHBondContact O-CG 3.4Å; E650-L654 PolarHBondContact O-N 2.85Å |
| 651 | F | 88.1 | Confident | 72.2 | Confident | 38 Ų | 38 | 65.6 Ų | 65.6 | 17% | 0.167 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.9 | -43.8 | 179.2 | 173.7 | -99.1 | 0 | 0 | 0 | 113.2 | L629 K632 N635 L636 L639 R647 V648 S655 | L629-F651 HydrophobicContact CD2-CE1 4.14Å; K632-F651 HydrophobicContact CB-CZ 4.02Å; K632-F651 HydrophobicContact CD-CE2 4.32Å; K632-F651 HydrophobicContact CD-CZ 3.83Å; N635-F651 HydrophobicContact CB-CE2 4.21Å; N635-F651 HydrophobicContact CB-CZ 3.78Å; L636-F651 HydrophobicContact CB-CE1 4.17Å; L636-F651 HydrophobicContact CD1-CD1 4.23Å; L636-F651 HydrophobicContact CD1-CE1 4.26Å; L639-F651 HydrophobicContact CD1-CB 3.76Å; L639-F651 HydrophobicContact CD1-CD1 3.66Å; L639-F651 HydrophobicContact CD1-CD2 3.38Å; L639-F651 HydrophobicContact CD1-CE1 3.99Å; L639-F651 HydrophobicContact CD1-CE2 3.72Å; L639-F651 HydrophobicContact CD1-CG 3.32Å; L639-F651 HydrophobicContact CD1-CZ 4Å; L639-F651 HydrophobicContact CD2-CB 4.31Å; R647-F651 PolarHBondContact O-N 2.86Å; R647-F651 VanDerWaalsContact O-N 3.08Å; V648-F651 PolarHBondContact O-N 3.18Å; F651-S655 WeakPolarHBondContact O-CB 3.41Å; F651-S655 PolarHBondContact O-N 2.71Å; F651-S655 PolarHBondContact O-OG 2.83Å |
| 652 | I | 87.2 | Confident | 69.6 | Low | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 177.6 | -64 | 168.9 | 0 | 0 | 0 | 110 | I579 V583 I622 F626 L629 L636 V648 E650 S656 | I579-I652 HydrophobicContact CG2-CB 4.26Å; I579-I652 HydrophobicContact CG2-CG2 3.47Å; I579-I652 VanDerWaalsContact CG2-CG2 3.47Å; V583-I652 HydrophobicContact CB-CD1 4.48Å; V583-I652 HydrophobicContact CG1-CD1 4.06Å; V583-I652 HydrophobicContact CG2-CB 4.41Å; V583-I652 HydrophobicContact CG2-CD1 3.52Å; V583-I652 HydrophobicContact CG2-CG2 3.98Å; I622-I652 HydrophobicContact CD1-CD1 3.99Å; I622-I652 HydrophobicContact CG1-CD1 4.4Å; I622-I652 HydrophobicContact CG2-CD1 3.69Å; I622-I652 HydrophobicContact CG2-CG1 4.23Å; F626-I652 HydrophobicContact CD2-CG2 3.72Å; F626-I652 HydrophobicContact CE2-CG2 3.84Å; F626-I652 HydrophobicContact CG-CG2 4.26Å; F626-I652 HydrophobicContact CZ-CG2 4.48Å; L629-I652 HydrophobicContact CD1-CB 4.39Å; L629-I652 HydrophobicContact CD1-CG1 3.93Å; L629-I652 HydrophobicContact CD1-CG2 4.07Å; L636-I652 HydrophobicContact CD1-CD1 4.13Å; L636-I652 HydrophobicContact CD1-CG1 4.13Å; V648-I652 HydrophobicContact CG1-CD1 3.74Å; V648-I652 WeakPolarHBondContact O-CD1 3.47Å; V648-I652 VanDerWaalsContact O-CG1 3.28Å; V648-I652 WeakPolarHBondContact O-CG1 3.24Å; V648-I652 PolarHBondContact O-N 2.77Å; E650-I652 VanDerWaalsContact C-N 3.35Å; E650-I652 PolarHBondContact O-N 2.98Å; I652-S656 WeakPolarHBondContact O-CB 3.46Å; I652-S656 PolarHBondContact O-N 3.46Å; I652-S656 VanDerWaalsContact O-N 3.11Å; I652-S656 PolarHBondContact O-OG 2.94Å |
| 653 | S | 81.7 | Confident | 67 | Low | 45 Ų | 45 | 73.8 Ų | 73.8 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 178.1 | -60.3 | 0 | 0 | 0 | 0 | 112.7 | C649 E650 S656 | C649-S653 WeakPolarHBondContact O-CB 3.18Å; C649-S653 PolarHBondContact O-N 2.86Å; C649-S653 VanDerWaalsContact O-N 3.15Å; C649-S653 PolarHBondContact O-OG 2.99Å; E650-S653 WeakPolarHBondContact O-CB 3.08Å; E650-S653 PolarHBondContact O-N 3.46Å; E650-S653 VanDerWaalsContact O-N 3.13Å; S653-S656 PolarHBondContact O-OG 3.06Å |
| 654 | L | 78.8 | Confident | 64.1 | Low | 104 Ų | 104 | 74.6 Ų | 74.6 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.9 | -49.2 | 176 | -71.6 | 167.2 | 0 | 0 | 0 | 111 | E650 S656 S657 | E650-L654 HydrophobicContact CG-CD1 4.13Å; E650-L654 WeakPolarHBondContact O-CG 3.4Å; E650-L654 PolarHBondContact O-N 2.85Å; L654-S656 PolarHBondContact O-N 3.41Å; L654-S657 PolarHBondContact O-N 3.21Å; L654-S657 PolarHBondContact O-OG 2.95Å |
| 655 | S | 79.5 | Confident | 61.1 | Low | 5 Ų | 5 | 84.8 Ų | 84.8 | 4% | 0.035 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -68.2 | -35.1 | -173.9 | -61.2 | 0 | 0 | 0 | 0 | 114.1 | L629 K632 F651 S657 | L629-S655 VanDerWaalsContact CD2-CB 3.49Å; K632-S655 PolarHBondContact NZ-OG 3.32Å; F651-S655 WeakPolarHBondContact O-CB 3.41Å; F651-S655 PolarHBondContact O-N 2.71Å; F651-S655 PolarHBondContact O-OG 2.83Å; S655-S657 PolarHBondContact O-N 2.97Å |
| 656 | S | 65.2 | Low | 58.3 | Low | 17 Ų | 17 | 93.8 Ų | 93.8 | 12% | 0.119 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -74.6 | -21.4 | -178.7 | 51.7 | 0 | 0 | 0 | 0 | 114.1 | I579 I652 S653 L654 I658 | I579-S656 WeakPolarHBondContact CD1-OG 3.34Å; I652-S656 WeakPolarHBondContact O-CB 3.46Å; I652-S656 PolarHBondContact O-N 3.46Å; I652-S656 VanDerWaalsContact O-N 3.11Å; I652-S656 PolarHBondContact O-OG 2.94Å; S653-S656 PolarHBondContact O-OG 3.06Å; L654-S656 PolarHBondContact O-N 3.41Å; S656-I658 VanDerWaalsContact C-N 3.25Å; S656-I658 PolarHBondContact O-N 2.7Å |
| 657 | S | 52.5 | Low | 55.9 | Low | 88 Ų | 88 | 97.9 Ų | 97.9 | 62% | 0.615 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -11 | -177.8 | 65.1 | 0 | 0 | 0 | 0 | 115.6 | L654 S655 | L654-S657 PolarHBondContact O-N 3.21Å; L654-S657 PolarHBondContact O-OG 2.95Å; S655-S657 PolarHBondContact O-N 2.97Å |
| 658 | I | 46.4 | Very low | 53.2 | Low | 137 Ų | 137 | 101.3 Ų | 101.3 | 70% | 0.703 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -20.5 | -169.4 | -61.2 | 173.9 | 0 | 0 | 0 | 113.2 | S656 | S656-I658 VanDerWaalsContact C-N 3.25Å; S656-I658 PolarHBondContact O-N 2.7Å |
| 659 | S | 37.2 | Very low | 50.4 | Low | 71 Ų | 71 | 106 Ų | 106 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | trans | -98.9 | -10.3 | -161.2 | -177.8 | 0 | 0 | 0 | 0 | 116.9 | K661 | S659-K661 PolarHBondContact O-N 2.97Š| ||
| 660 | M | 29 | Very low | 47.6 | Very low | 174 Ų | 174 | 113.5 Ų | 113.5 | 86% | 0.857 | 59% | 0.586 | S | S | * | * | trans | -75.1 | 45.1 | -167.7 | -66.2 | -168.8 | 172 | 0 | 0 | 116.7 | ||||
| 661 | K | 26.1 | Very low | 45.1 | Very low | 207 Ų | 207 | 114.4 Ų | 114.4 | 90% | 0.9 | 60% | 0.6 | S | S | * | * | trans | -136.3 | 56 | 178.2 | -76.8 | -168.4 | 172.2 | -172.1 | 0 | 114.4 | S659 | S659-K661 PolarHBondContact O-N 2.97Š| ||
| 662 | S | 24.9 | Very low | 42.2 | Very low | 117 Ų | 117 | 118.9 Ų | 118.9 | 82% | 0.818 | 63% | 0.625 | S | S | * | * | trans | -163.6 | 145.2 | 162.2 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 663 | K | 27.6 | Very low | 39.4 | Very low | 186 Ų | 186 | 128.6 Ų | 128.6 | 81% | 0.809 | 67% | 0.668 | S | S | * | * | trans | -165.2 | 137.6 | 167.6 | -111.3 | -162.2 | 176.7 | -167.9 | 0 | 115.2 | ||||
| 664 | T | 26.3 | Very low | 36.7 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 66% | 0.663 | 69% | 0.687 | S | S | * | * | trans | 65.8 | 123.7 | 143.8 | 54.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 665 | R | 24.9 | Very low | 34.1 | Very low | 235 Ų | 235 | 134.7 Ų | 134.7 | 89% | 0.887 | 69% | 0.693 | S | S | * | * | trans | -169.3 | 124.9 | 134.7 | -94.3 | 159.9 | -175.3 | -156.7 | -0.4 | 106.7 | ||||
| 666 | F | 25.2 | Very low | 31.5 | Very low | 188 Ų | 188 | 143 Ų | 143 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | 80.9 | 149.9 | 62.1 | -76.3 | -52.9 | 0 | 0 | 0 | 114.4 | |||||
| 667 | P | 30.4 | Very low | 29.6 | Very low | 124 Ų | 124 | 149.5 Ų | 149.5 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | cis | -140.6 | -150 | -4.5 | 41.2 | -18.2 | 0 | 0 | 0 | 116.5 | ||||
| 668 | K | 28.5 | Very low | 28.3 | Very low | 195 Ų | 195 | 149.4 Ų | 149.4 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | trans | -82.7 | -174.7 | -175.6 | -46.6 | 178.9 | 177.8 | 179.2 | 0 | 114.8 | ||||
| 669 | S | 28.5 | Very low | 27.3 | Very low | 98 Ų | 98 | 149.7 Ų | 149.7 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | cis | -156 | -148.8 | 4.8 | 11 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 670 | I | 27.5 | Very low | 26.7 | Very low | 159 Ų | 159 | 153.3 Ų | 153.3 | 82% | 0.815 | 76% | 0.756 | S | S | * | * | cis | -160.6 | 178.6 | 13.8 | 9.3 | 176.2 | 0 | 0 | 0 | 110 | ||||
| 671 | P | 30.8 | Very low | 26.5 | Very low | 107 Ų | 107 | 152 Ų | 152 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | trans | -129.9 | 165.5 | -150.7 | 45.2 | -32.7 | 0 | 0 | 0 | 122.5 | ||||
| 672 | N | 28.5 | Very low | 26.5 | Very low | 131 Ų | 131 | 147.9 Ų | 147.9 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | 60.6 | 127.5 | 145.9 | -76.6 | -13 | 0 | 0 | 0 | 126.4 | ||||
| 673 | K | 27.3 | Very low | 26.5 | Very low | 204 Ų | 204 | 148.8 Ų | 148.8 | 89% | 0.887 | 73% | 0.727 | S | S | * | * | trans | 172.3 | 159.1 | 140.7 | -92.2 | 144.3 | -163.8 | 170.6 | 0 | 110.2 | ||||
| 674 | K | 26.3 | Very low | 26.4 | Very low | 167 Ų | 167 | 148.3 Ų | 148.3 | 73% | 0.726 | 73% | 0.725 | S | S | * | * | cis | -140.1 | -130.5 | -20.7 | -159.8 | -164.3 | 175.7 | -173.4 | 0 | 110 | ||||
| 675 | V | 24.2 | Very low | 26.2 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 67% | 0.667 | 72% | 0.724 | S | S | * | * | trans | -157.6 | 148.2 | -167 | -162.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 676 | Y | 24.9 | Very low | 26.1 | Very low | 181 Ų | 181 | 146.3 Ų | 146.3 | 71% | 0.71 | 72% | 0.721 | S | S | * | * | 169 | 133.5 | 124.2 | -93.3 | -67.9 | 0 | 0 | 0 | 117.4 | |||||
| 677 | Q | 23.7 | Very low | 26 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 72% | 0.715 | 70% | 0.7 | S | S | * | * | trans | -18.3 | 162.6 | 158.4 | -71.2 | 164.3 | -22.3 | 0 | 0 | 119.9 | ||||
| 678 | S | 25.9 | Very low | 25.8 | Very low | 86 Ų | 86 | 140.3 Ų | 140.3 | 60% | 0.601 | 70% | 0.697 | S | S | * | * | cis | -173.8 | -163.7 | -10 | 52.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 679 | K | 25.4 | Very low | 25.6 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 62% | 0.622 | 69% | 0.689 | S | S | * | * | cis | -167.8 | 176.4 | 6.3 | -155 | -175.9 | 160.3 | -165.5 | 0 | 109.4 | ||||
| 680 | F | 24.6 | Very low | 25.5 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 64% | 0.64 | 69% | 0.69 | S | S | * | * | trans | 70.6 | 144.3 | 158 | -73.8 | -53.2 | 0 | 0 | 0 | 117.1 | ||||
| 681 | E | 24.5 | Very low | 25.4 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 69% | 0.692 | 68% | 0.677 | S | S | * | * | cis | -159.3 | 162.7 | -10.4 | -161.7 | 151.5 | -126.2 | 0 | 0 | 110.5 | ||||
| 682 | N | 25.6 | Very low | 25.2 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 64% | 0.642 | 66% | 0.661 | S | S | * | * | trans | 7.6 | 144.5 | 165.2 | -65 | 23.5 | 0 | 0 | 0 | 121.5 | ||||
| 683 | E | 24.9 | Very low | 25.4 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | cis | -159.9 | 173.3 | 4.4 | -119.8 | 172.9 | -81.2 | 0 | 0 | 109.1 | ||||
| 684 | F | 25.5 | Very low | 26.5 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 77% | 0.772 | 65% | 0.645 | S | S | * | * | -162.1 | -177.7 | 54.9 | -144.9 | -91.3 | 0 | 0 | 0 | 110.7 | |||||
| 685 | Q | 22.7 | Very low | 27.9 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | trans | -139.6 | 139.5 | 178.1 | -62.9 | -166.2 | 10.9 | 0 | 0 | 117.7 | T687 | Q685-T687 PolarHBondContact OE1-OG1 3.36Š| ||
| 686 | M | 22.6 | Very low | 30.3 | Very low | 165 Ų | 165 | 127.9 Ų | 127.9 | 81% | 0.813 | 62% | 0.619 | S | S | * | * | trans | -120.5 | 107.7 | 147.5 | -78.5 | -151.7 | -54.7 | 0 | 0 | 109.7 | K706 | M686-K706 PolarHBondContact O-NZ 2.87Š| ||
| 687 | T | 24.6 | Very low | 33 | Very low | 64 Ų | 64 | 123.8 Ų | 123.8 | 39% | 0.393 | 61% | 0.609 | S | S | . | * | trans | -126.7 | 133.1 | -175.9 | -52.6 | 0 | 0 | 0 | 0 | 110.3 | Q685 K689 K706 | Q685-T687 PolarHBondContact OE1-OG1 3.36Å; T687-K689 PolarHBondContact O-N 3.08Å; T687-K706 HydrophobicContact CG2-CD 4.39Å; T687-K706 PolarHBondContact OG1-NZ 3.29Å | ||
| 688 | V | 25.3 | Very low | 36 | Very low | 122 Ų | 122 | 120.9 Ų | 120.9 | 74% | 0.739 | 60% | 0.597 | S | S | * | * | trans | -70.6 | 91.8 | 177.4 | -177.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 689 | K | 24.5 | Very low | 39.1 | Very low | 155 Ų | 155 | 118.6 Ų | 118.6 | 67% | 0.674 | 58% | 0.575 | S | S | * | * | trans | -77.9 | 127.7 | 173.2 | -70.5 | -174.6 | 176 | -176.8 | 0 | 110 | T687 N691 | T687-K689 PolarHBondContact O-N 3.08Å; K689-N691 VanDerWaalsContact CB-OD1 3.25Å; K689-N691 WeakPolarHBondContact CB-OD1 3.45Å; K689-N691 PolarHBondContact O-N 3.31Å | ||
| 690 | H | 26.5 | Very low | 42.3 | Very low | 155 Ų | 155 | 113.5 Ų | 113.5 | 72% | 0.718 | 56% | 0.556 | S | S | * | * | trans | -67.2 | 106.7 | 149.8 | -77.2 | -79 | 0 | 0 | 0 | 106.8 | Y692 | H690-Y692 PolarHBondContact O-N 3.31Š| ||
| 691 | N | 24.1 | Very low | 45.3 | Very low | 101 Ų | 101 | 107.5 Ų | 107.5 | 54% | 0.54 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -78.7 | 55.1 | -169.5 | -96.9 | 1.8 | 0 | 0 | 0 | 113.7 | K689 | K689-N691 VanDerWaalsContact CB-OD1 3.25Å; K689-N691 WeakPolarHBondContact CB-OD1 3.45Å; K689-N691 PolarHBondContact O-N 3.31Å |
| 692 | Y | 28.2 | Very low | 48.1 | Very low | 91 Ų | 91 | 101.5 Ų | 101.5 | 36% | 0.357 | 51% | 0.508 | S | S | . | . | trans | -117.7 | 124.1 | 157.3 | -71.3 | -87.5 | 0 | 0 | 0 | 107.4 | H690 H694 D831 Y876 | H690-Y692 PolarHBondContact O-N 3.31Å; Y692-H694 VanDerWaalsContact CB-NE2 3.29Å; Y692-H694 WeakPolarHBondContact CB-NE2 3.4Å; Y692-H694 PolarHBondContact O-N 3.03Å; Y692-D831 PolarHBondContact OH-OD1 2.71Å; Y692-D831 PolarHBondContact OH-OD2 3.07Å; Y692-Y876 HydrophobicContact CE2-CE1 4.48Å | ||
| 693 | Q | 31.2 | Very low | 50.8 | Low | 206 Ų | 206 | 97 Ų | 97 | 96% | 0.963 | 49% | 0.486 | S | S | * | . | trans | -75.2 | 72.3 | 173.5 | -74.9 | -173.2 | -64.7 | 0 | 0 | 110.1 | ||||
| 694 | H | 51.1 | Low | 53.7 | Low | 61 Ų | 61 | 93.2 Ų | 93.2 | 28% | 0.282 | 47% | 0.472 | S | S | . | . | trans | -69.1 | 144.9 | 163.6 | -64.7 | -55 | 0 | 0 | 0 | 109.7 | Y692 F696 Y830 | Y692-H694 VanDerWaalsContact CB-NE2 3.29Å; Y692-H694 WeakPolarHBondContact CB-NE2 3.4Å; Y692-H694 PolarHBondContact O-N 3.03Å; H694-F696 HydrophobicContact CB-CD1 3.81Å; H694-F696 HydrophobicContact CB-CD2 4.21Å; H694-F696 HydrophobicContact CB-CE1 3.54Å; H694-F696 HydrophobicContact CB-CE2 3.95Å; H694-F696 HydrophobicContact CB-CG 4.13Å; H694-F696 HydrophobicContact CB-CZ 3.6Å; H694-F696 AromaticContact CG-CE1 3.88Å; H694-F696 AromaticContact CG-CZ 3.64Å; H694-F696 PolarHBondContact O-N 3.13Å; H694-Y830 AromaticContact CE1-CD1 3.46Å; H694-Y830 VanDerWaalsContact CE1-CD1 3.46Å; H694-Y830 WeakPolarHBondContact CE1-CD1 3.31Å; H694-Y830 AromaticContact CE1-CE1 3.2Å; H694-Y830 WeakPolarHBondContact CE1-CE1 3.43Å; H694-Y830 AromaticContact CE1-CZ 3.64Å; H694-Y830 AromaticContact NE2-CD1 3.74Å; H694-Y830 AromaticContact NE2-CD2 3.95Å; H694-Y830 AromaticContact NE2-CE1 3.36Å; H694-Y830 WeakPolarHBondContact NE2-CE1 3.48Å; H694-Y830 AromaticContact NE2-CE2 3.59Å; H694-Y830 AromaticContact NE2-CZ 3.26Å; H694-Y830 VanDerWaalsContact NE2-CZ 3.26Å | ||
| 695 | P | 56 | Low | 56.6 | Low | 112 Ų | 112 | 85.4 Ų | 85.4 | 73% | 0.727 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -77.9 | 30.9 | 178.9 | 34.8 | -37.5 | 0 | 0 | 0 | 112.3 | G737 | P695-G737 CarbonylContact O-C 3.58Š|
| 696 | F | 73.6 | Confident | 59.5 | Low | 29 Ų | 29 | 82.1 Ų | 82.1 | 13% | 0.127 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -156.5 | 154.9 | -172 | 61.3 | -104.5 | 0 | 0 | 0 | 113.4 | H694 S736 V738 L784 F786 | H694-F696 HydrophobicContact CB-CD1 3.81Å; H694-F696 HydrophobicContact CB-CD2 4.21Å; H694-F696 HydrophobicContact CB-CE1 3.54Å; H694-F696 HydrophobicContact CB-CE2 3.95Å; H694-F696 HydrophobicContact CB-CG 4.13Å; H694-F696 HydrophobicContact CB-CZ 3.6Å; H694-F696 AromaticContact CG-CE1 3.88Å; H694-F696 AromaticContact CG-CZ 3.64Å; H694-F696 PolarHBondContact O-N 3.13Å; F696-S736 CarbonylContact C-O 3.54Å; F696-S736 VanDerWaalsContact CA-O 3.22Å; F696-S736 WeakPolarHBondContact CA-O 3.46Å; F696-S736 WeakPolarHBondContact CB-O 3.18Å; F696-V738 HydrophobicContact CB-CB 4.37Å; F696-V738 HydrophobicContact CB-CG2 3.28Å; F696-V738 HydrophobicContact CD1-CG2 3.87Å; F696-V738 HydrophobicContact CD2-CG2 4.16Å; F696-V738 HydrophobicContact CG-CG2 3.54Å; F696-L784 HydrophobicContact CD2-CD2 4.42Å; F696-L784 HydrophobicContact CE1-CD2 4.34Å; F696-L784 HydrophobicContact CE2-CD2 3.89Å; F696-L784 HydrophobicContact CZ-CD2 3.87Å; F696-F786 HydrophobicContact CE1-CE1 4.14Å; F696-F786 HydrophobicContact CE1-CE2 4.41Å; F696-F786 AromaticContact CE1-CZ 3.5Å; F696-F786 HydrophobicContact CE1-CZ 3.5Å; F696-F786 VanDerWaalsContact CE1-CZ 3.5Å; F696-F786 HydrophobicContact CZ-CE2 4.04Å; F696-F786 AromaticContact CZ-CZ 3.51Å; F696-F786 HydrophobicContact CZ-CZ 3.51Å |
| 697 | D | 81.7 | Confident | 62.2 | Low | 95 Ų | 95 | 75.2 Ų | 75.2 | 51% | 0.508 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 145.5 | 171 | -65.7 | -71 | 0 | 0 | 0 | 110.8 | Y699 L735 S736 | D697-Y699 HydrophobicContact CB-CE2 3.58Å; D697-Y699 WeakPolarHBondContact CB-OH 3.34Å; D697-L735 WeakPolarHBondContact O-CA 3.48Å; D697-S736 PolarHBondContact N-O 2.83Å; D697-S736 PolarHBondContact O-N 2.8Å |
| 698 | M | 87.5 | Confident | 64.2 | Low | 91 Ų | 91 | 76.4 Ų | 76.4 | 45% | 0.448 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 121.7 | -179.5 | 180 | 175.9 | 73.4 | 0 | 0 | 110.8 | L733 I734 L735 L784 | M698-L733 HydrophobicContact CG-CD1 3.66Å; M698-L733 HydrophobicContact SD-CD1 3.86Å; M698-I734 WeakPolarHBondContact CA-O 3.5Å; M698-L735 HydrophobicContact CB-CD2 3.74Å; M698-L735 HydrophobicContact CG-CD2 3.63Å; M698-L735 HydrophobicContact SD-CD2 4.22Å; M698-L784 HydrophobicContact SD-CB 4.43Å |
| 699 | Y | 91.2 | Very high | 66 | Low | 39 Ų | 39 | 72.1 Ų | 72.1 | 15% | 0.153 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 136.8 | -177.1 | -45.3 | -103.1 | 0 | 0 | 0 | 110.2 | D697 L705 I734 Y1073 | D697-Y699 HydrophobicContact CB-CE2 3.58Å; D697-Y699 WeakPolarHBondContact CB-OH 3.34Å; Y699-L705 HydrophobicContact CD1-CD1 4.48Å; Y699-L705 HydrophobicContact CE1-CD1 4.03Å; Y699-I734 HydrophobicContact CD2-CB 4.32Å; Y699-I734 HydrophobicContact CD2-CG2 4.23Å; Y699-I734 PolarHBondContact N-O 3.19Å; Y699-I734 PolarHBondContact O-N 2.82Å; Y699-Y1073 AromaticContact CD2-CD2 3.78Å; Y699-Y1073 HydrophobicContact CD2-CD2 3.78Å; Y699-Y1073 HydrophobicContact CD2-CE2 4.34Å; Y699-Y1073 HydrophobicContact CE1-CD2 4.38Å; Y699-Y1073 AromaticContact CE2-CD2 3.46Å; Y699-Y1073 HydrophobicContact CE2-CD2 3.46Å; Y699-Y1073 VanDerWaalsContact CE2-CD2 3.46Å; Y699-Y1073 AromaticContact CE2-CE2 3.64Å; Y699-Y1073 HydrophobicContact CE2-CE2 3.64Å; Y699-Y1073 HydrophobicContact CG-CD2 4.39Å; Y699-Y1073 AromaticContact CZ-CD2 3.79Å; Y699-Y1073 AromaticContact CZ-CE2 3.98Å |
| 700 | T | 91.6 | Very high | 67.6 | Low | 35 Ų | 35 | 71.5 Ų | 71.5 | 22% | 0.215 | 38% | 0.381 | C | S | . | . | trans | -138 | 174.1 | -177.9 | 58 | 0 | 0 | 0 | 0 | 110.5 | S703 L733 | T700-S703 VanDerWaalsContact O-CB 3.26Å; T700-S703 WeakPolarHBondContact O-CB 3.41Å; T700-S703 PolarHBondContact O-N 2.86Å; T700-S703 PolarHBondContact O-OG 3.02Å; T700-L733 HydrophobicContact CG2-CD1 3.91Å | ||
| 701 | H | 87.6 | Confident | 69.3 | Low | 20 Ų | 20 | 66.1 Ų | 66.1 | 9% | 0.093 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 150.7 | 170.5 | 52.1 | -88.7 | 0 | 0 | 0 | 110.8 | S703 S731 S781 D968 S1069 V1071 | H701-S703 PolarHBondContact O-N 3.3Å; H701-S731 WeakPolarHBondContact ND1-CB 3.38Å; H701-S781 PolarHBondContact CE1-OG 2.95Å; H701-S781 VanDerWaalsContact CE1-OG 3.3Å; H701-D968 IonicContact CD2-OD2 3.38Å; H701-D968 PolarHBondContact CD2-OD2 3.11Å; H701-D968 IonicContact NE2-OD2 3.26Å; H701-S1069 VanDerWaalsContact CB-CB 3.46Å; H701-V1071 HydrophobicContact CB-CG2 4.33Å |
| 702 | G | 85 | Confident | 70.7 | Confident | 22 Ų | 22 | 66 Ų | 66 | 23% | 0.227 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 10.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P1018 S1019 | G702-P1018 VanDerWaalsContact CA-O 3.26Å; G702-P1018 WeakPolarHBondContact CA-O 3.35Å; G702-P1018 PolarHBondContact N-O 3.31Å; G702-S1019 PolarHBondContact N-OG 2.7Å |
| 703 | S | 81.5 | Confident | 72.4 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 19% | 0.189 | 39% | 0.389 | C | S | . | . | trans | -86.4 | 161.9 | 177.2 | 64.3 | 0 | 0 | 0 | 0 | 112.4 | T700 H701 L1020 | T700-S703 VanDerWaalsContact O-CB 3.26Å; T700-S703 WeakPolarHBondContact O-CB 3.41Å; T700-S703 PolarHBondContact O-N 2.86Å; T700-S703 PolarHBondContact O-OG 3.02Å; H701-S703 PolarHBondContact O-N 3.3Å; S703-L1020 PolarHBondContact O-N 2.84Å | ||
| 704 | V | 85.9 | Confident | 74.4 | Confident | 55 Ų | 55 | 64.8 Ų | 64.8 | 33% | 0.333 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 110 | 174.6 | -172.8 | 0 | 0 | 0 | 0 | 108.3 | K706 L971 L1020 Q1022 | V704-K706 HydrophobicContact CG1-CG 4.38Å; V704-L971 WeakPolarHBondContact CG2-O 3.46Å; V704-L1020 WeakPolarHBondContact CA-O 3.44Å; V704-L1020 HydrophobicContact CB-CB 4.43Å; V704-L1020 HydrophobicContact CG1-CB 4.15Å; V704-L1020 HydrophobicContact CG2-CB 4.19Å; V704-L1020 HydrophobicContact CG2-CD1 4.18Å; V704-Q1022 HydrophobicContact CG1-CB 4.21Å; V704-Q1022 HydrophobicContact CG1-CG 3.84Å |
| 705 | L | 87.3 | Confident | 76 | Confident | 13 Ų | 13 | 68.9 Ų | 68.9 | 7% | 0.068 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 136.4 | 168.3 | -177.3 | 61.8 | 0 | 0 | 0 | 108.9 | Y699 L1020 L1021 Q1022 L1072 V1080 | Y699-L705 HydrophobicContact CD1-CD1 4.48Å; Y699-L705 HydrophobicContact CE1-CD1 4.03Å; L705-L1020 PolarHBondContact N-O 2.68Å; L705-L1021 HydrophobicContact CB-CD1 3.99Å; L705-L1021 HydrophobicContact CD2-CD1 3.81Å; L705-L1021 HydrophobicContact CG-CD1 3.86Å; L705-L1021 WeakPolarHBondContact O-CA 3.24Å; L705-Q1022 PolarHBondContact O-N 2.84Å; L705-L1072 HydrophobicContact CB-CB 4.04Å; L705-L1072 HydrophobicContact CB-CD1 4.27Å; L705-L1072 HydrophobicContact CD2-CB 3.71Å; L705-V1080 HydrophobicContact CD2-CG1 4.08Å |
| 706 | K | 83 | Confident | 77.6 | Confident | 66 Ų | 66 | 64.1 Ų | 64.1 | 29% | 0.287 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 136.5 | 179.3 | -67.8 | -172.9 | 173.3 | -167.6 | 0 | 111.1 | M686 T687 V704 Q1022 | M686-K706 PolarHBondContact O-NZ 2.87Å; T687-K706 HydrophobicContact CG2-CD 4.39Å; T687-K706 PolarHBondContact OG1-NZ 3.29Å; V704-K706 HydrophobicContact CG1-CG 4.38Å; K706-Q1022 WeakPolarHBondContact CA-O 3.4Å; K706-Q1022 VanDerWaalsContact CE-OE1 3.32Å; K706-Q1022 HydrophobicContact CG-CB 4.13Å |
| 707 | L | 77.9 | Confident | 78.5 | Confident | 20 Ų | 20 | 67.4 Ų | 67.4 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | trans | -120 | 145.5 | 172 | -56.5 | 177.8 | 0 | 0 | 0 | 110 | L711 L1021 Q1022 S1023 V1080 | L707-L711 HydrophobicContact CD1-CD2 4.05Å; L707-L1021 HydrophobicContact CD1-CD1 3.93Å; L707-L1021 HydrophobicContact CD1-CD2 4.31Å; L707-L1021 HydrophobicContact CD1-CG 4.39Å; L707-L1021 HydrophobicContact CG-CD1 3.93Å; L707-Q1022 PolarHBondContact N-O 2.99Å; L707-S1023 WeakPolarHBondContact O-CB 3.33Å; L707-V1080 HydrophobicContact CD1-CG2 3.67Å; L707-V1080 HydrophobicContact CD2-CG2 4.31Å; L707-V1080 HydrophobicContact CG-CG2 4.47Å | ||
| 708 | P | 66.9 | Low | 79.1 | Confident | 89 Ų | 89 | 66.7 Ų | 66.7 | 58% | 0.578 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -80 | 139.5 | 165.3 | 33.1 | -31.7 | 0 | 0 | 0 | 110.5 | ||
| 709 | G | 63.6 | Low | 79.4 | Confident | 33 Ų | 33 | 64.9 Ų | 64.9 | 34% | 0.34 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 88.4 | 165.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1023 D1024 | G709-S1023 WeakPolarHBondContact O-CB 3.33Å; G709-S1023 PolarHBondContact O-OG 2.89Å; G709-D1024 WeakPolarHBondContact CA-OD2 3.2Å; G709-D1024 PolarHBondContact N-OD2 3.3Å |
| 710 | L | 57.8 | Low | 79.7 | Confident | 141 Ų | 141 | 63.8 Ų | 63.8 | 74% | 0.738 | 33% | 0.331 | S | S | * | . | trans | -62.1 | 132.4 | -177.4 | -78.3 | 158.8 | 0 | 0 | 0 | 113.4 | P712 | L710-P712 WeakPolarHBondContact O-CD 3.19Š| ||
| 711 | L | 62 | Low | 79.9 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 23% | 0.225 | 34% | 0.341 | C | S | . | . | trans | -60.4 | 124.4 | 171.1 | -68.4 | 175.1 | 0 | 0 | 0 | 111.3 | L707 L1021 S1023 L1028 | L707-L711 HydrophobicContact CD1-CD2 4.05Å; L711-L1021 HydrophobicContact CD2-CD2 3.7Å; L711-L1021 HydrophobicContact CD2-CG 4.17Å; L711-S1023 PolarHBondContact N-OG 2.97Å; L711-L1028 HydrophobicContact CD1-CB 4.01Å | ||
| 712 | P | 53.8 | Low | 80.3 | Confident | 97 Ų | 97 | 67 Ų | 67 | 63% | 0.63 | 34% | 0.343 | S | S | * | . | trans | -75.2 | -174.5 | 174.6 | 32.4 | -35.9 | 0 | 0 | 0 | 112 | L710 I714 | L710-P712 WeakPolarHBondContact O-CD 3.19Å; P712-I714 PolarHBondContact O-N 3.02Å | ||
| 713 | R | 65.1 | Low | 80.8 | Confident | 248 Ų | 248 | 68.2 Ų | 68.2 | 94% | 0.936 | 35% | 0.345 | S | S | * | . | trans | -60 | 107 | 172.2 | -88.5 | -173.1 | 173.1 | 177.7 | -1.2 | 110.9 | Q715 | R713-Q715 PolarHBondContact O-N 3.23Š| ||
| 714 | I | 72.8 | Confident | 81.4 | Confident | 24 Ų | 24 | 67 Ų | 67 | 12% | 0.123 | 34% | 0.336 | C | S | . | . | trans | -66.6 | 122.5 | 175.8 | -71.9 | 143.6 | 0 | 0 | 0 | 110.9 | P712 L1028 L1057 L1096 | P712-I714 PolarHBondContact O-N 3.02Å; I714-L1028 HydrophobicContact CD1-CD1 3.75Å; I714-L1028 HydrophobicContact CD1-CD2 3.52Å; I714-L1028 HydrophobicContact CD1-CG 4.24Å; I714-L1028 HydrophobicContact CG1-CD2 4.03Å; I714-L1057 HydrophobicContact CB-CB 4.45Å; I714-L1057 HydrophobicContact CD1-CD1 3.63Å; I714-L1057 HydrophobicContact CG2-CB 4.43Å; I714-L1096 HydrophobicContact CG1-CD2 4.37Å; I714-L1096 HydrophobicContact CG1-CG 4.31Å; I714-L1096 HydrophobicContact CG2-CD1 3.52Å; I714-L1096 HydrophobicContact CG2-CD2 4.48Å; I714-L1096 HydrophobicContact CG2-CG 3.88Å | ||
| 715 | Q | 84.9 | Confident | 81.6 | Confident | 147 Ų | 147 | 70 Ų | 70 | 69% | 0.687 | 35% | 0.346 | S | S | * | . | trans | -148.2 | 104.2 | 174.3 | -176 | 176.9 | -6.8 | 0 | 0 | 111.4 | R713 K717 L1096 | R713-Q715 PolarHBondContact O-N 3.23Å; Q715-K717 PolarHBondContact O-N 2.71Å; Q715-L1096 PolarHBondContact N-OXT 3.29Å | ||
| 716 | F | 90.1 | Very high | 81.9 | Confident | 13 Ų | 13 | 73.2 Ų | 73.2 | 6% | 0.057 | 36% | 0.359 | C | S | . | . | trans | -54 | 128.4 | 175.7 | -65.3 | -68.8 | 0 | 0 | 0 | 112.2 | I1030 V1038 Y1039 S1058 T1059 Y1060 I1082 L1094 S1095 L1096 | F716-I1030 HydrophobicContact CE1-CD1 4.37Å; F716-I1030 HydrophobicContact CE1-CG2 4.42Å; F716-I1030 HydrophobicContact CZ-CD1 4.16Å; F716-I1030 HydrophobicContact CZ-CG2 4.48Å; F716-V1038 HydrophobicContact CE1-CG1 3.98Å; F716-V1038 HydrophobicContact CZ-CG1 4.01Å; F716-Y1039 VanDerWaalsContact CZ-C 3.43Å; F716-S1058 WeakPolarHBondContact CD2-OG 3.4Å; F716-S1058 WeakPolarHBondContact CE2-O 3.2Å; F716-S1058 PolarHBondContact N-OG 3.12Å; F716-T1059 VanDerWaalsContact CD2-C 3.5Å; F716-Y1060 HydrophobicContact CB-CD2 4.43Å; F716-Y1060 HydrophobicContact CB-CG 4.48Å; F716-I1082 HydrophobicContact CD1-CD1 3.75Å; F716-I1082 HydrophobicContact CE1-CD1 3.59Å; F716-L1094 HydrophobicContact CD1-CD1 4.28Å; F716-S1095 WeakPolarHBondContact CA-O 3.25Å; F716-L1096 HydrophobicContact CD1-CD1 3.63Å; F716-L1096 HydrophobicContact CE1-CD1 3.39Å; F716-L1096 HydrophobicContact CG-CD1 4.35Å; F716-L1096 HydrophobicContact CZ-CD1 3.94Å | ||
| 717 | K | 91.2 | Very high | 82.4 | Confident | 97 Ų | 97 | 71.4 Ų | 71.4 | 42% | 0.422 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.1 | 180 | 173 | -173 | 166.7 | -159.5 | 0 | 109.5 | Q715 L719 L1094 S1095 | Q715-K717 PolarHBondContact O-N 2.71Å; K717-L719 PolarHBondContact O-N 3.36Å; K717-L1094 CarbonylContact O-C 3.58Å; K717-L1094 VanDerWaalsContact O-CA 3.24Å; K717-L1094 WeakPolarHBondContact O-CA 3.38Å; K717-S1095 PolarHBondContact N-O 3.09Å; K717-S1095 PolarHBondContact O-N 3.38Å |
| 718 | F | 94.8 | Very high | 83.2 | Confident | 80 Ų | 80 | 70.5 Ų | 70.5 | 35% | 0.351 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 130.9 | 172.6 | 176.5 | -93.3 | 0 | 0 | 0 | 111.1 | W720 Q721 Y1060 Y1092 L1094 | F718-W720 WeakPolarHBondContact CE2-O 3.41Å; F718-W720 VanDerWaalsContact CZ-C 3.41Å; F718-Q721 HydrophobicContact CE2-CB 4.03Å; F718-Q721 HydrophobicContact CE2-CG 4.4Å; F718-Q721 HydrophobicContact CZ-CB 4.14Å; F718-Q721 HydrophobicContact CZ-CG 4.11Å; F718-Y1060 HydrophobicContact CB-CE2 4.01Å; F718-Y1060 WeakPolarHBondContact CD2-OH 3.25Å; F718-Y1092 HydrophobicContact CD2-CD1 4.17Å; F718-Y1092 HydrophobicContact CD2-CE1 4.42Å; F718-Y1092 AromaticContact CE2-CD1 3.82Å; F718-Y1092 HydrophobicContact CE2-CD1 3.82Å; F718-Y1092 AromaticContact CE2-CE1 3.86Å; F718-Y1092 HydrophobicContact CE2-CE1 3.86Å; F718-L1094 HydrophobicContact CB-CD2 4.43Å; F718-L1094 HydrophobicContact CD2-CD2 4.44Å |
| 719 | L | 93.6 | Very high | 84.6 | Confident | 53 Ų | 53 | 67.2 Ų | 67.2 | 28% | 0.277 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -57.3 | 170.6 | -55.7 | 177.4 | 0 | 0 | 0 | 110.6 | K717 Y1081 G1093 | K717-L719 PolarHBondContact O-N 3.36Å; L719-Y1081 HydrophobicContact CD1-CD1 3.57Å; L719-Y1081 HydrophobicContact CD1-CE1 3.73Å; L719-G1093 WeakPolarHBondContact CB-O 3.28Å; L719-G1093 PolarHBondContact N-O 2.79Å |
| 720 | W | 96.8 | Very high | 86.1 | Confident | 17 Ų | 17 | 65.7 Ų | 65.7 | 6% | 0.064 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 163.6 | -169.8 | 54.1 | -100.6 | 0 | 0 | 0 | 112.6 | F718 L758 V760 N762 V1083 V1091 G1093 | F718-W720 WeakPolarHBondContact CE2-O 3.41Å; F718-W720 VanDerWaalsContact CZ-C 3.41Å; W720-L758 HydrophobicContact CH2-CD1 4.02Å; W720-L758 HydrophobicContact CZ3-CD1 3.87Å; W720-V760 PolarHBondContact NE1-O 3.28Å; W720-N762 WeakPolarHBondContact CB-O 3.28Å; W720-N762 VanDerWaalsContact CD1-CA 3.5Å; W720-V1083 HydrophobicContact CH2-CG1 3.96Å; W720-V1083 HydrophobicContact CH2-CG2 4.41Å; W720-V1083 HydrophobicContact CZ2-CG2 4.23Å; W720-V1091 HydrophobicContact CH2-CG1 4.1Å; W720-V1091 HydrophobicContact CZ3-CB 4.31Å; W720-V1091 HydrophobicContact CZ3-CG1 3.87Å; W720-G1093 PolarHBondContact N-O 2.6Å; W720-G1093 PolarHBondContact O-N 3.11Å |
| 721 | Q | 96.7 | Very high | 87.9 | Confident | 91 Ų | 91 | 59.6 Ų | 59.6 | 43% | 0.425 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 143 | 168.9 | 67.2 | -178.9 | 17.9 | 0 | 0 | 110.9 | F718 Y1090 V1091 Y1092 | F718-Q721 HydrophobicContact CE2-CB 4.03Å; F718-Q721 HydrophobicContact CE2-CG 4.4Å; F718-Q721 HydrophobicContact CZ-CB 4.14Å; F718-Q721 HydrophobicContact CZ-CG 4.11Å; Q721-Y1090 HydrophobicContact CB-CD1 3.86Å; Q721-Y1090 HydrophobicContact CB-CG 4.45Å; Q721-Y1090 HydrophobicContact CG-CD1 3.69Å; Q721-Y1090 HydrophobicContact CG-CE1 3.97Å; Q721-V1091 CarbonylContact C-O 3.43Å; Q721-V1091 WeakPolarHBondContact CA-O 3.47Å; Q721-Y1092 HydrophobicContact CB-CD1 3.97Å; Q721-Y1092 HydrophobicContact CB-CE1 3.72Å; Q721-Y1092 VanDerWaalsContact OE1-CZ 3.29Å; Q721-Y1092 PolarHBondContact OE1-OH 3.34Å |
| 722 | H | 96.4 | Very high | 89.6 | Confident | 32 Ų | 32 | 57.5 Ų | 57.5 | 15% | 0.148 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 138.3 | 179.2 | 178.5 | 63 | 0 | 0 | 0 | 111.4 | S756 L758 Y1090 V1091 | H722-S756 PolarHBondContact NE2-OG 3.43Å; H722-L758 HydrophobicContact CB-CD1 3.86Å; H722-L758 HydrophobicContact CB-CD2 4.31Å; H722-Y1090 CarbonylContact O-C 3.56Å; H722-Y1090 VanDerWaalsContact O-CA 3.24Å; H722-Y1090 WeakPolarHBondContact O-CA 3.45Å; H722-V1091 HydrophobicContact CB-CB 4.45Å; H722-V1091 PolarHBondContact N-O 3.19Å; H722-V1091 PolarHBondContact O-N 3Å |
| 723 | N | 95.8 | Very high | 91.6 | Very high | 47 Ų | 47 | 53 Ų | 53 | 25% | 0.251 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 119.1 | -170.2 | -171.3 | -56.4 | 0 | 0 | 0 | 111.9 | H725 Y1090 | N723-H725 VanDerWaalsContact OD1-CA 3.29Å; N723-H725 WeakPolarHBondContact OD1-CA 3.37Å; N723-H725 PolarHBondContact OD1-N 3.37Å; N723-H725 PolarHBondContact OD1-ND1 3.12Å; N723-Y1090 HydrophobicContact CB-CD1 3.98Å; N723-Y1090 HydrophobicContact CB-CE1 3.64Å; N723-Y1090 PolarHBondContact ND2-OH 3.05Å |
| 724 | L | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -103.9 | 21.5 | 177.1 | -61.1 | -178.1 | 0 | 0 | 0 | 113.4 | K726 V728 I748 S750 S752 S756 T771 N1089 V1091 | L724-K726 PolarHBondContact O-N 3.36Å; L724-V728 HydrophobicContact CB-CG2 4.08Å; L724-V728 HydrophobicContact CD1-CG1 4.24Å; L724-V728 HydrophobicContact CD1-CG2 4.04Å; L724-V728 HydrophobicContact CG-CG2 4.38Å; L724-I748 HydrophobicContact CD1-CG2 4.31Å; L724-S750 PolarHBondContact O-OG 3.49Å; L724-S752 WeakPolarHBondContact O-CB 3.41Å; L724-S752 PolarHBondContact O-OG 3.43Å; L724-S756 WeakPolarHBondContact CD2-OG 3.4Å; L724-T771 HydrophobicContact CD2-CG2 4.25Å; L724-N1089 PolarHBondContact N-O 3.37Å; L724-V1091 HydrophobicContact CD1-CG2 3.59Å; L724-V1091 HydrophobicContact CG-CG2 3.95Å | ||
| 725 | H | 89.9 | Confident | 93.9 | Very high | 118 Ų | 118 | 40 Ų | 40 | 55% | 0.546 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 64.3 | -12.3 | 170.9 | -47 | -32.7 | 0 | 0 | 0 | 117.4 | N723 | N723-H725 VanDerWaalsContact OD1-CA 3.29Å; N723-H725 WeakPolarHBondContact OD1-CA 3.37Å; N723-H725 PolarHBondContact OD1-N 3.37Å; N723-H725 PolarHBondContact OD1-ND1 3.12Å |
| 726 | K | 92.1 | Very high | 94 | Very high | 82 Ų | 82 | 33.6 Ų | 33.6 | 36% | 0.357 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -150.6 | 168.8 | 167.7 | -154.3 | 167.5 | 158.8 | -158.1 | 0 | 110 | L724 V728 S750 H751 N1089 | L724-K726 PolarHBondContact O-N 3.36Å; K726-V728 PolarHBondContact O-N 2.93Å; K726-S750 WeakPolarHBondContact O-CB 3.44Å; K726-S750 PolarHBondContact O-OG 3.23Å; K726-H751 HydrophobicContact CB-CB 4.1Å; K726-H751 HydrophobicContact CD-CB 3.93Å; K726-H751 WeakPolarHBondContact CD-O 3.47Å; K726-H751 HydrophobicContact CG-CB 3.9Å; K726-N1089 WeakPolarHBondContact CA-OD1 3.41Å; K726-N1089 WeakPolarHBondContact O-CA 3.16Å |
| 727 | C | 93.3 | Very high | 93.1 | Very high | 28 Ų | 28 | 35.1 Ų | 35.1 | 19% | 0.189 | 18% | 0.181 | C | C | . | . | trans | -38.9 | 131.7 | 179.5 | -51.7 | 0 | 0 | 0 | 0 | 114.2 | S750 H751 R1087 N1089 | C727-S750 WeakPolarHBondContact O-CB 3.47Å; C727-H751 HydrophobicContact CB-CB 4.35Å; C727-H751 WeakPolarHBondContact O-CB 3.48Å; C727-H751 PolarHBondContact O-N 3.01Å; C727-R1087 HydrophobicContact CB-CB 4.2Å; C727-R1087 HydrophobicContact CB-CG 3.99Å; C727-R1087 PolarHBondContact SG-O 2.62Å; C727-R1087 VanDerWaalsContact SG-O 3.38Å; C727-N1089 PolarHBondContact N-OD1 2.87Å; C727-N1089 VanDerWaalsContact N-OD1 3.12Å | ||
| 728 | V | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -104.8 | 86.8 | -179.8 | -169.1 | 0 | 0 | 0 | 0 | 108.9 | L724 K726 I748 G1085 C1086 V1091 | L724-V728 HydrophobicContact CB-CG2 4.08Å; L724-V728 HydrophobicContact CD1-CG1 4.24Å; L724-V728 HydrophobicContact CD1-CG2 4.04Å; L724-V728 HydrophobicContact CG-CG2 4.38Å; K726-V728 PolarHBondContact O-N 2.93Å; V728-I748 HydrophobicContact CG1-CD1 3.55Å; V728-I748 HydrophobicContact CG1-CG1 3.75Å; V728-G1085 CarbonylContact O-C 3.59Å; V728-G1085 VanDerWaalsContact O-C 3.24Å; V728-G1085 WeakPolarHBondContact O-CA 3.4Å; V728-C1086 PolarHBondContact N-O 3.48Å; V728-C1086 PolarHBondContact O-N 3.23Å; V728-V1091 HydrophobicContact CG1-CG2 4.23Å; V728-V1091 HydrophobicContact CG2-CG2 4.42Å | ||
| 729 | D | 94.8 | Very high | 90.4 | Very high | 21 Ų | 21 | 31.7 Ų | 31.7 | 11% | 0.112 | 17% | 0.167 | C | C | . | . | trans | -92.6 | -20.5 | 178.5 | -70.9 | 19.2 | 0 | 0 | 0 | 112.1 | H751 F1067 R1087 | D729-H751 IonicContact OD1-CE1 3.81Å; D729-H751 IonicContact OD2-CE1 2.65Å; D729-H751 PolarHBondContact OD2-CE1 3.12Å; D729-H751 IonicContact OD2-NE2 3.57Å; D729-F1067 HydrophobicContact CB-CB 4.31Å; D729-R1087 VanDerWaalsContact OD1-CG 3.29Å; D729-R1087 WeakPolarHBondContact OD1-CG 3.42Å; D729-R1087 IonicContact OD1-CZ 2.71Å; D729-R1087 IonicContact OD1-NE 3.76Å; D729-R1087 PolarHBondContact OD1-NE 3.26Å; D729-R1087 IonicContact OD1-NH2 3.87Å; D729-R1087 IonicContact OD2-CZ 3.83Å; D729-R1087 VanDerWaalsContact OD2-CZ 3.27Å; D729-R1087 IonicContact OD2-NE 3.38Å; D729-R1087 PolarHBondContact OD2-NE 2.84Å; D729-R1087 VanDerWaalsContact OD2-NE 3.07Å; D729-R1087 IonicContact OD2-NH2 2.69Å; D729-R1087 PolarHBondContact OD2-NH2 2.83Å | ||
| 730 | A | 95.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -71.2 | 130.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I748 I778 E779 | A730-I748 WeakPolarHBondContact O-CD1 3.27Å; A730-I778 HydrophobicContact CB-CG2 4.47Å; A730-E779 WeakPolarHBondContact CA-O 3.27Å; A730-E779 WeakPolarHBondContact CB-O 3.42Å |
| 731 | S | 95.8 | Very high | 87.7 | Confident | 12 Ų | 12 | 31.8 Ų | 31.8 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 141.2 | 175.3 | -51.6 | 0 | 0 | 0 | 0 | 110.5 | H701 S781 S1069 | H701-S731 WeakPolarHBondContact ND1-CB 3.38Å; S731-S781 WeakPolarHBondContact O-CA 3.27Å; S731-S781 WeakPolarHBondContact O-CB 3.37Å; S731-S781 PolarHBondContact O-OG 2.84Å; S731-S1069 WeakPolarHBondContact OG-CB 3.32Å; S731-S1069 PolarHBondContact OG-N 3.43Å |
| 732 | P | 97 | Very high | 86.3 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 160.7 | -176.6 | 18.3 | -23.5 | 0 | 0 | 0 | 113.8 | I748 V1071 V1083 | P732-I748 HydrophobicContact CB-CB 4.2Å; P732-I748 HydrophobicContact CB-CD1 4.06Å; P732-I748 HydrophobicContact CB-CG1 4.5Å; P732-I748 HydrophobicContact CG-CD1 4.2Å; P732-V1071 HydrophobicContact CB-CG2 4.47Å; P732-V1071 HydrophobicContact CG-CB 4.05Å; P732-V1071 HydrophobicContact CG-CG2 3.75Å; P732-V1071 WeakPolarHBondContact O-CG2 3.42Å; P732-V1083 HydrophobicContact CB-CG1 4.28Å; P732-V1083 HydrophobicContact CG-CB 4.02Å; P732-V1083 HydrophobicContact CG-CG1 3.98Å; P732-V1083 WeakPolarHBondContact CG-O 3.49Å |
| 733 | L | 95.6 | Very high | 85.3 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 131.6 | 159.9 | 173 | 71.8 | 0 | 0 | 0 | 107.3 | M698 T700 L735 A746 F747 L793 | M698-L733 HydrophobicContact CG-CD1 3.66Å; M698-L733 HydrophobicContact SD-CD1 3.86Å; T700-L733 HydrophobicContact CG2-CD1 3.91Å; L733-L735 HydrophobicContact CD1-CD2 4.47Å; L733-L735 HydrophobicContact CD2-CD1 4.17Å; L733-L735 HydrophobicContact CD2-CD2 4.5Å; L733-L735 HydrophobicContact CD2-CG 4.24Å; L733-L735 HydrophobicContact CG-CD2 4.46Å; L733-L735 HydrophobicContact CG-CG 4.27Å; L733-A746 CarbonylContact O-C 3.52Å; L733-A746 WeakPolarHBondContact O-CA 3.31Å; L733-F747 HydrophobicContact CB-CB 4.44Å; L733-F747 PolarHBondContact N-O 2.2Å; L733-F747 PolarHBondContact O-N 3.14Å; L733-L793 HydrophobicContact CD2-CD1 3.84Å |
| 734 | I | 94.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.9 | 171.7 | -55.6 | 178.4 | 0 | 0 | 0 | 109.7 | M698 Y699 C745 A746 V760 V1071 Y1073 V1083 | M698-I734 WeakPolarHBondContact CA-O 3.5Å; Y699-I734 HydrophobicContact CD2-CB 4.32Å; Y699-I734 HydrophobicContact CD2-CG2 4.23Å; Y699-I734 PolarHBondContact N-O 3.19Å; Y699-I734 PolarHBondContact O-N 2.82Å; I734-C745 VanDerWaalsContact CA-O 3.31Å; I734-C745 WeakPolarHBondContact CA-O 3.36Å; I734-A746 HydrophobicContact CG1-CB 4.04Å; I734-V760 HydrophobicContact CD1-CG2 4.11Å; I734-V760 HydrophobicContact CG1-CG2 4.39Å; I734-V760 HydrophobicContact CG2-CG2 3.82Å; I734-V1071 HydrophobicContact CB-CG1 4.5Å; I734-V1071 HydrophobicContact CD1-CB 4.19Å; I734-V1071 HydrophobicContact CD1-CG1 3.83Å; I734-V1071 HydrophobicContact CG1-CG1 4.01Å; I734-Y1073 HydrophobicContact CG2-CD2 3.9Å; I734-Y1073 HydrophobicContact CG2-CG 3.96Å; I734-V1083 HydrophobicContact CD1-CB 4.27Å; I734-V1083 HydrophobicContact CD1-CG2 3.85Å |
| 735 | L | 91.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 141.7 | 176.4 | -62.5 | 174 | 0 | 0 | 0 | 110.6 | D697 M698 L733 V738 G744 C745 F747 L784 I807 | D697-L735 WeakPolarHBondContact O-CA 3.48Å; M698-L735 HydrophobicContact CB-CD2 3.74Å; M698-L735 HydrophobicContact CG-CD2 3.63Å; M698-L735 HydrophobicContact SD-CD2 4.22Å; L733-L735 HydrophobicContact CD1-CD2 4.47Å; L733-L735 HydrophobicContact CD2-CD1 4.17Å; L733-L735 HydrophobicContact CD2-CD2 4.5Å; L733-L735 HydrophobicContact CD2-CG 4.24Å; L733-L735 HydrophobicContact CG-CD2 4.46Å; L733-L735 HydrophobicContact CG-CG 4.27Å; L735-V738 HydrophobicContact CB-CG2 4.27Å; L735-G744 WeakPolarHBondContact O-CA 3.44Å; L735-C745 PolarHBondContact N-O 3.43Å; L735-C745 PolarHBondContact O-N 3.23Å; L735-F747 HydrophobicContact CB-CE2 4.18Å; L735-F747 HydrophobicContact CD1-CD2 4.2Å; L735-F747 HydrophobicContact CD1-CE2 3.76Å; L735-F747 HydrophobicContact CG-CD2 4.43Å; L735-F747 HydrophobicContact CG-CE2 4.15Å; L735-L784 HydrophobicContact CD1-CD1 3.89Å; L735-L784 HydrophobicContact CD1-CD2 4.03Å; L735-L784 HydrophobicContact CD1-CG 4.42Å; L735-L784 HydrophobicContact CD2-CD2 4.07Å; L735-I807 HydrophobicContact CD1-CD1 3.78Å |
| 736 | S | 86.6 | Confident | 85.2 | Confident | 13 Ų | 13 | 24.8 Ų | 24.8 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146.1 | 177.3 | -167.7 | 0 | 0 | 0 | 0 | 110.2 | F696 D697 V738 F741 Y1073 | F696-S736 CarbonylContact C-O 3.54Å; F696-S736 VanDerWaalsContact CA-O 3.22Å; F696-S736 WeakPolarHBondContact CA-O 3.46Å; F696-S736 WeakPolarHBondContact CB-O 3.18Å; D697-S736 PolarHBondContact N-O 2.83Å; D697-S736 PolarHBondContact O-N 2.8Å; S736-V738 PolarHBondContact O-N 3.09Å; S736-V738 VanDerWaalsContact O-N 3.17Å; S736-F741 WeakPolarHBondContact CA-O 3.47Å; S736-Y1073 PolarHBondContact OG-OH 2.91Å |
| 737 | G | 73 | Confident | 85.4 | Confident | 45 Ų | 45 | 20.9 Ų | 20.9 | 46% | 0.464 | 14% | 0.144 | S | C | . | . | S | Bend | trans | 81.1 | -25.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | P695 F741 | P695-G737 CarbonylContact O-C 3.58Å; G737-F741 PolarHBondContact N-O 3.4Å |
| 738 | V | 68.2 | Low | 85.6 | Confident | 8 Ų | 8 | 19.7 Ų | 19.7 | 5% | 0.048 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -62.4 | 134.6 | 169.5 | -169 | 0 | 0 | 0 | 0 | 110.2 | F696 L735 S736 G740 F741 L784 A791 I807 | F696-V738 HydrophobicContact CB-CB 4.37Å; F696-V738 HydrophobicContact CB-CG2 3.28Å; F696-V738 HydrophobicContact CD1-CG2 3.87Å; F696-V738 HydrophobicContact CD2-CG2 4.16Å; F696-V738 HydrophobicContact CG-CG2 3.54Å; L735-V738 HydrophobicContact CB-CG2 4.27Å; S736-V738 PolarHBondContact O-N 3.09Å; S736-V738 VanDerWaalsContact O-N 3.17Å; V738-G740 VanDerWaalsContact C-N 3.3Å; V738-G740 PolarHBondContact O-N 3.49Å; V738-F741 HydrophobicContact CB-CD2 4.04Å; V738-F741 HydrophobicContact CB-CE2 4.47Å; V738-F741 HydrophobicContact CG1-CE2 4.49Å; V738-F741 WeakPolarHBondContact O-CB 3.48Å; V738-F741 WeakPolarHBondContact O-CD2 3.25Å; V738-F741 VanDerWaalsContact O-CG 3.32Å; V738-F741 WeakPolarHBondContact O-CG 3.42Å; V738-F741 PolarHBondContact O-N 3.15Å; V738-L784 HydrophobicContact CG2-CD2 4.47Å; V738-A791 HydrophobicContact CG1-CB 4.21Å; V738-I807 HydrophobicContact CG1-CD1 4.07Å |
| 739 | H | 60.6 | Low | 85.6 | Confident | 96 Ų | 96 | 19.7 Ų | 19.7 | 44% | 0.444 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | 40.8 | 46.3 | 162 | -75.8 | -109.3 | 0 | 0 | 0 | 116.1 | F741 E808 | H739-F741 VanDerWaalsContact C-N 3.31Å; H739-F741 HydrophobicContact CB-CE2 4.27Å; H739-F741 HydrophobicContact CB-CZ 4.48Å; H739-F741 PolarHBondContact O-N 3.38Å; H739-E808 HydrophobicContact CB-CG 4.45Å; H739-E808 IonicContact CE1-OE1 3.73Å; H739-E808 IonicContact CG-OE1 3.71Å; H739-E808 IonicContact ND1-OE1 2.68Å; H739-E808 PolarHBondContact ND1-OE1 3.13Å |
| 740 | G | 60.1 | Low | 85.8 | Confident | 65 Ų | 65 | 18.7 Ų | 18.7 | 67% | 0.67 | 13% | 0.131 | S | C | * | . | G | 310 helix | trans | 78.4 | 4.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V738 S742 | V738-G740 VanDerWaalsContact C-N 3.3Å; V738-G740 PolarHBondContact O-N 3.49Å; G740-S742 PolarHBondContact O-N 3.16Å |
| 741 | F | 73.2 | Confident | 85.8 | Confident | 8 Ų | 8 | 19 Ų | 19 | 4% | 0.035 | 13% | 0.132 | C | C | . | . | trans | -76.9 | 58.1 | 170.3 | -46.7 | -42.6 | 0 | 0 | 0 | 111.2 | S736 G737 V738 H739 N743 C745 F747 I766 I807 | S736-F741 WeakPolarHBondContact CA-O 3.47Å; G737-F741 PolarHBondContact N-O 3.4Å; V738-F741 HydrophobicContact CB-CD2 4.04Å; V738-F741 HydrophobicContact CB-CE2 4.47Å; V738-F741 HydrophobicContact CG1-CE2 4.49Å; V738-F741 WeakPolarHBondContact O-CB 3.48Å; V738-F741 WeakPolarHBondContact O-CD2 3.25Å; V738-F741 VanDerWaalsContact O-CG 3.32Å; V738-F741 WeakPolarHBondContact O-CG 3.42Å; V738-F741 PolarHBondContact O-N 3.15Å; H739-F741 VanDerWaalsContact C-N 3.31Å; H739-F741 HydrophobicContact CB-CE2 4.27Å; H739-F741 HydrophobicContact CB-CZ 4.48Å; H739-F741 PolarHBondContact O-N 3.38Å; F741-N743 PolarHBondContact O-N 2.99Å; F741-C745 HydrophobicContact CB-CB 4.19Å; F741-C745 HydrophobicContact CD1-CB 4.13Å; F741-C745 HydrophobicContact CD2-CB 4.2Å; F741-C745 HydrophobicContact CG-CB 3.9Å; F741-F747 HydrophobicContact CE2-CZ 4.19Å; F741-I766 HydrophobicContact CD1-CD1 3.65Å; F741-I766 HydrophobicContact CE1-CD1 3.56Å; F741-I766 HydrophobicContact CE1-CG2 4.18Å; F741-I807 HydrophobicContact CE2-CD1 3.79Å; F741-I807 HydrophobicContact CE2-CG1 3.79Å; F741-I807 HydrophobicContact CE2-CG2 4.48Å; F741-I807 HydrophobicContact CZ-CG1 4.21Å | ||
| 742 | S | 66.7 | Low | 85.6 | Confident | 78 Ų | 78 | 20.4 Ų | 20.4 | 55% | 0.545 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -26.3 | 176.3 | 48.8 | 0 | 0 | 0 | 0 | 113.3 | G740 | G740-S742 PolarHBondContact O-N 3.16Š|
| 743 | N | 75.6 | Confident | 85.5 | Confident | 63 Ų | 63 | 20.4 Ų | 20.4 | 34% | 0.337 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 23.6 | -172 | -66 | 83 | 0 | 0 | 0 | 113.4 | F741 E1075 | F741-N743 PolarHBondContact O-N 2.99Å; N743-E1075 WeakPolarHBondContact CA-OE1 3.28Å; N743-E1075 WeakPolarHBondContact CB-OE1 3.48Å; N743-E1075 PolarHBondContact ND2-OE1 2.76Å; N743-E1075 PolarHBondContact ND2-OE2 2.89Å |
| 744 | G | 88.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | 72.7 | 125.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L735 V760 Y1073 | L735-G744 WeakPolarHBondContact O-CA 3.44Å; G744-V760 WeakPolarHBondContact O-CG2 2.94Å; G744-V760 PolarHBondContact O-N 2.88Å; G744-Y1073 PolarHBondContact N-OH 3.36Å; G744-Y1073 VanDerWaalsContact N-OH 3.09Å | ||
| 745 | C | 93.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124.9 | 168 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | I734 L735 F741 F747 L758 I766 | I734-C745 VanDerWaalsContact CA-O 3.31Å; I734-C745 WeakPolarHBondContact CA-O 3.36Å; L735-C745 PolarHBondContact N-O 3.43Å; L735-C745 PolarHBondContact O-N 3.23Å; F741-C745 HydrophobicContact CB-CB 4.19Å; F741-C745 HydrophobicContact CD1-CB 4.13Å; F741-C745 HydrophobicContact CD2-CB 4.2Å; F741-C745 HydrophobicContact CG-CB 3.9Å; C745-F747 HydrophobicContact CB-CE2 3.75Å; C745-F747 HydrophobicContact CB-CZ 3.97Å; C745-F747 WeakPolarHBondContact SG-CE2 3.47Å; C745-F747 WeakPolarHBondContact SG-CZ 3.27Å; C745-L758 CarbonylContact C-O 3.56Å; C745-L758 WeakPolarHBondContact CA-O 3.3Å; C745-I766 HydrophobicContact CB-CD1 3.8Å; C745-I766 WeakPolarHBondContact SG-CD1 3.44Å |
| 746 | A | 95.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 124.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L733 I734 A757 L758 V760 V1083 | L733-A746 CarbonylContact O-C 3.52Å; L733-A746 WeakPolarHBondContact O-CA 3.31Å; I734-A746 HydrophobicContact CG1-CB 4.04Å; A746-A757 WeakPolarHBondContact O-CA 3.25Å; A746-L758 PolarHBondContact N-O 3.08Å; A746-L758 PolarHBondContact O-N 3.25Å; A746-V760 HydrophobicContact CB-CG2 4Å; A746-V1083 HydrophobicContact CB-CG1 4.22Å; A746-V1083 HydrophobicContact CB-CG2 4.37Å |
| 747 | F | 96.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 123.8 | 174.4 | -57.8 | -90.7 | 0 | 0 | 0 | 109.6 | L733 L735 F741 C745 S756 A757 W767 L793 I807 | L733-F747 HydrophobicContact CB-CB 4.44Å; L733-F747 PolarHBondContact N-O 2.2Å; L733-F747 PolarHBondContact O-N 3.14Å; L735-F747 HydrophobicContact CB-CE2 4.18Å; L735-F747 HydrophobicContact CD1-CD2 4.2Å; L735-F747 HydrophobicContact CD1-CE2 3.76Å; L735-F747 HydrophobicContact CG-CD2 4.43Å; L735-F747 HydrophobicContact CG-CE2 4.15Å; F741-F747 HydrophobicContact CE2-CZ 4.19Å; C745-F747 HydrophobicContact CB-CE2 3.75Å; C745-F747 HydrophobicContact CB-CZ 3.97Å; C745-F747 WeakPolarHBondContact SG-CE2 3.47Å; C745-F747 WeakPolarHBondContact SG-CZ 3.27Å; F747-S756 WeakPolarHBondContact CA-O 3.24Å; F747-A757 HydrophobicContact CD1-CB 3.66Å; F747-A757 HydrophobicContact CE1-CB 3.44Å; F747-A757 VanDerWaalsContact CE1-CB 3.44Å; F747-A757 HydrophobicContact CZ-CB 4.31Å; F747-W767 HydrophobicContact CD1-CZ2 4.07Å; F747-W767 HydrophobicContact CE1-CZ2 4.05Å; F747-L793 HydrophobicContact CB-CD1 3.9Å; F747-L793 HydrophobicContact CB-CD2 4.17Å; F747-L793 HydrophobicContact CD1-CD1 3.9Å; F747-L793 HydrophobicContact CD1-CD2 3.37Å; F747-L793 HydrophobicContact CD1-CG 4.26Å; F747-L793 HydrophobicContact CD2-CD1 4.18Å; F747-L793 HydrophobicContact CE1-CD1 4.46Å; F747-L793 HydrophobicContact CE1-CD2 3.97Å; F747-L793 HydrophobicContact CG-CD1 3.72Å; F747-L793 HydrophobicContact CG-CD2 3.97Å; F747-I807 HydrophobicContact CE1-CG1 3.86Å; F747-I807 HydrophobicContact CE2-CD1 4.45Å; F747-I807 HydrophobicContact CE2-CG1 4.44Å; F747-I807 HydrophobicContact CZ-CD1 3.97Å; F747-I807 HydrophobicContact CZ-CG1 3.53Å |
| 748 | I | 97.6 | Very high | 87.3 | Confident | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 139.5 | -172.7 | -174.3 | 165.8 | 0 | 0 | 0 | 112 | L724 V728 A730 P732 I755 S756 L758 V1091 | L724-I748 HydrophobicContact CD1-CG2 4.31Å; V728-I748 HydrophobicContact CG1-CD1 3.55Å; V728-I748 HydrophobicContact CG1-CG1 3.75Å; A730-I748 WeakPolarHBondContact O-CD1 3.27Å; P732-I748 HydrophobicContact CB-CB 4.2Å; P732-I748 HydrophobicContact CB-CD1 4.06Å; P732-I748 HydrophobicContact CB-CG1 4.5Å; P732-I748 HydrophobicContact CG-CD1 4.2Å; I748-I755 WeakPolarHBondContact O-CA 3.48Å; I748-S756 PolarHBondContact N-O 3.3Å; I748-S756 PolarHBondContact O-N 2.66Å; I748-L758 HydrophobicContact CG2-CD1 4.42Å; I748-V1091 HydrophobicContact CD1-CG1 4.12Å; I748-V1091 HydrophobicContact CD1-CG2 4.13Å; I748-V1091 HydrophobicContact CG1-CG2 4.46Å; I748-V1091 HydrophobicContact CG2-CG1 4.09Å; I748-V1091 HydrophobicContact CG2-CG2 3.64Å |
| 749 | G | 97 | Very high | 88.5 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 170.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | S754 | G749-S754 CarbonylContact C-O 3.5Å; G749-S754 VanDerWaalsContact CA-O 3.24Å; G749-S754 WeakPolarHBondContact CA-O 3.42Å |
| 750 | S | 97.4 | Very high | 90 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -141.2 | 174.6 | -175.3 | 93.1 | 0 | 0 | 0 | 0 | 115.4 | L724 K726 C727 S752 G753 S754 I778 | L724-S750 PolarHBondContact O-OG 3.49Å; K726-S750 WeakPolarHBondContact O-CB 3.44Å; K726-S750 PolarHBondContact O-OG 3.23Å; C727-S750 WeakPolarHBondContact O-CB 3.47Å; S750-S752 PolarHBondContact O-N 3.43Å; S750-S752 PolarHBondContact OG-N 3.37Å; S750-S752 PolarHBondContact OG-OG 3.35Å; S750-G753 PolarHBondContact O-N 2.98Å; S750-G753 VanDerWaalsContact O-N 3.09Å; S750-S754 PolarHBondContact N-O 3.36Å; S750-I778 CarbonylContact C-O 3.59Å; S750-I778 PolarHBondContact O-N 3.01Å | ||
| 751 | H | 96 | Very high | 91.4 | Very high | 8 Ų | 8 | 15.8 Ų | 15.8 | 4% | 0.037 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -3.3 | 175.9 | -71.1 | -178.3 | 0 | 0 | 0 | 115.6 | K726 C727 D729 E779 | K726-H751 HydrophobicContact CB-CB 4.1Å; K726-H751 HydrophobicContact CD-CB 3.93Å; K726-H751 WeakPolarHBondContact CD-O 3.47Å; K726-H751 HydrophobicContact CG-CB 3.9Å; C727-H751 HydrophobicContact CB-CB 4.35Å; C727-H751 WeakPolarHBondContact O-CB 3.48Å; C727-H751 PolarHBondContact O-N 3.01Å; D729-H751 IonicContact OD1-CE1 3.81Å; D729-H751 IonicContact OD2-CE1 2.65Å; D729-H751 PolarHBondContact OD2-CE1 3.12Å; D729-H751 IonicContact OD2-NE2 3.57Å; H751-E779 VanDerWaalsContact NE2-CG 3.31Å; H751-E779 WeakPolarHBondContact NE2-CG 3.4Å; H751-E779 IonicContact NE2-OE1 3.9Å; H751-E779 PolarHBondContact NE2-OE1 2.92Å |
| 752 | S | 92.9 | Very high | 92.3 | Very high | 41 Ų | 41 | 18.6 Ų | 18.6 | 29% | 0.287 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -17.9 | 172.9 | 66.1 | 0 | 0 | 0 | 0 | 112.8 | L724 S750 S754 | L724-S752 WeakPolarHBondContact O-CB 3.41Å; L724-S752 PolarHBondContact O-OG 3.43Å; S750-S752 PolarHBondContact O-N 3.43Å; S750-S752 PolarHBondContact OG-N 3.37Å; S750-S752 PolarHBondContact OG-OG 3.35Å; S752-S754 VanDerWaalsContact OG-CB 3.24Å; S752-S754 WeakPolarHBondContact OG-CB 3.3Å; S752-S754 PolarHBondContact OG-N 3.26Å; S752-S754 PolarHBondContact OG-OG 2.89Å |
| 753 | G | 93.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | S | Bend | trans | 90.5 | -5 | -163.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S750 L774 | S750-G753 PolarHBondContact O-N 2.98Å; S750-G753 VanDerWaalsContact O-N 3.09Å; G753-L774 WeakPolarHBondContact CA-O 3.45Å; G753-L774 PolarHBondContact O-N 3.49Å |
| 754 | S | 95.5 | Very high | 94.3 | Very high | 6 Ų | 6 | 18.6 Ų | 18.6 | 4% | 0.042 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 137.5 | 173.4 | -69.3 | 0 | 0 | 0 | 0 | 112 | G749 S750 S752 V772 | G749-S754 CarbonylContact C-O 3.5Å; G749-S754 VanDerWaalsContact CA-O 3.24Å; G749-S754 WeakPolarHBondContact CA-O 3.42Å; S750-S754 PolarHBondContact N-O 3.36Å; S752-S754 VanDerWaalsContact OG-CB 3.24Å; S752-S754 WeakPolarHBondContact OG-CB 3.3Å; S752-S754 PolarHBondContact OG-N 3.26Å; S752-S754 PolarHBondContact OG-OG 2.89Å; S754-V772 CarbonylContact C-O 3.53Å; S754-V772 VanDerWaalsContact CA-O 3.28Å; S754-V772 WeakPolarHBondContact CA-O 3.31Å |
| 755 | I | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 146.6 | 165.7 | 177.6 | 167 | 0 | 0 | 0 | 109.4 | I748 W767 T771 V772 L774 I778 L793 V795 L805 | I748-I755 WeakPolarHBondContact O-CA 3.48Å; I755-W767 HydrophobicContact CG1-CH2 4.2Å; I755-W767 HydrophobicContact CG1-CZ3 4.29Å; I755-W767 HydrophobicContact CG2-CZ3 4.22Å; I755-W767 WeakPolarHBondContact O-CZ3 3.31Å; I755-T771 CarbonylContact O-C 3.24Å; I755-T771 WeakPolarHBondContact O-CA 3.48Å; I755-V772 HydrophobicContact CG2-CB 4.09Å; I755-V772 HydrophobicContact CG2-CG1 4.46Å; I755-V772 PolarHBondContact N-O 3.13Å; I755-V772 PolarHBondContact O-N 3.04Å; I755-L774 HydrophobicContact CG2-CD1 4.07Å; I755-L774 HydrophobicContact CG2-CG 4.26Å; I755-I778 HydrophobicContact CB-CD1 3.86Å; I755-I778 HydrophobicContact CG2-CD1 4.19Å; I755-L793 HydrophobicContact CD1-CD2 4.17Å; I755-V795 HydrophobicContact CD1-CB 4.24Å; I755-V795 HydrophobicContact CD1-CG1 4.18Å; I755-V795 HydrophobicContact CD1-CG2 4.28Å; I755-L805 HydrophobicContact CD1-CD1 4.22Å; I755-L805 HydrophobicContact CG2-CD1 3.85Å |
| 756 | S | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 150.2 | 176.6 | -71.7 | 0 | 0 | 0 | 0 | 111.8 | H722 L724 F747 I748 A770 T771 | H722-S756 PolarHBondContact NE2-OG 3.43Å; L724-S756 WeakPolarHBondContact CD2-OG 3.4Å; F747-S756 WeakPolarHBondContact CA-O 3.24Å; I748-S756 PolarHBondContact N-O 3.3Å; I748-S756 PolarHBondContact O-N 2.66Å; S756-A770 PolarHBondContact OG-O 2.83Å; S756-T771 WeakPolarHBondContact OG-CG2 3.32Å |
| 757 | A | 95.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.8 | 162 | 0 | 0 | 0 | 0 | 0 | 109.6 | A746 F747 T765 I766 W767 | A746-A757 WeakPolarHBondContact O-CA 3.25Å; F747-A757 HydrophobicContact CD1-CB 3.66Å; F747-A757 HydrophobicContact CE1-CB 3.44Å; F747-A757 VanDerWaalsContact CE1-CB 3.44Å; F747-A757 HydrophobicContact CZ-CB 4.31Å; A757-T765 WeakPolarHBondContact O-CA 3.4Å; A757-I766 HydrophobicContact CB-CB 4.17Å; A757-I766 HydrophobicContact CB-CG1 4.39Å; A757-I766 PolarHBondContact O-N 2.86Å; A757-W767 HydrophobicContact CB-CD2 3.74Å; A757-W767 HydrophobicContact CB-CE3 4.37Å; A757-W767 HydrophobicContact CB-CG 4.06Å; A757-W767 HydrophobicContact CB-CH2 4.44Å; A757-W767 HydrophobicContact CB-CZ2 3.8Å |
| 758 | L | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 136.2 | -173.7 | -53.2 | 177.1 | 0 | 0 | 0 | 111 | W720 H722 C745 A746 I748 V760 H764 T765 V1091 | W720-L758 HydrophobicContact CH2-CD1 4.02Å; W720-L758 HydrophobicContact CZ3-CD1 3.87Å; H722-L758 HydrophobicContact CB-CD1 3.86Å; H722-L758 HydrophobicContact CB-CD2 4.31Å; C745-L758 CarbonylContact C-O 3.56Å; C745-L758 WeakPolarHBondContact CA-O 3.3Å; A746-L758 PolarHBondContact N-O 3.08Å; A746-L758 PolarHBondContact O-N 3.25Å; I748-L758 HydrophobicContact CG2-CD1 4.42Å; L758-V760 PolarHBondContact O-N 3.42Å; L758-H764 WeakPolarHBondContact CA-O 3.45Å; L758-T765 HydrophobicContact CD2-CG2 3.56Å; L758-V1091 HydrophobicContact CD1-CB 4.36Å; L758-V1091 HydrophobicContact CD1-CG1 4.21Å; L758-V1091 HydrophobicContact CD1-CG2 4.45Å |
| 759 | Y | 93 | Very high | 92.7 | Very high | 82 Ų | 82 | 34.2 Ų | 34.2 | 32% | 0.322 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 126.3 | 167.5 | -71.9 | -67.9 | 0 | 0 | 0 | 110.6 | S761 N762 G763 H764 I766 | Y759-S761 VanDerWaalsContact C-N 3.26Å; Y759-S761 PolarHBondContact O-N 3.45Å; Y759-N762 WeakPolarHBondContact CB-OD1 3.48Å; Y759-N762 PolarHBondContact O-N 2.75Å; Y759-G763 WeakPolarHBondContact O-CA 3.35Å; Y759-G763 PolarHBondContact O-N 2.68Å; Y759-H764 HydrophobicContact CD2-CB 4.39Å; Y759-H764 PolarHBondContact N-O 2.84Å; Y759-I766 HydrophobicContact CD1-CD1 3.97Å; Y759-I766 HydrophobicContact CD1-CG1 4.35Å; Y759-I766 HydrophobicContact CD2-CD1 4.45Å; Y759-I766 HydrophobicContact CD2-CG1 3.96Å; Y759-I766 HydrophobicContact CE1-CD1 3.62Å; Y759-I766 HydrophobicContact CE1-CG1 4.12Å; Y759-I766 HydrophobicContact CE2-CD1 4.16Å; Y759-I766 HydrophobicContact CE2-CG1 3.71Å; Y759-I766 HydrophobicContact CG-CD1 4.37Å; Y759-I766 HydrophobicContact CG-CG1 4.28Å |
| 760 | V | 93.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -32.8 | -172.9 | 176 | 0 | 0 | 0 | 0 | 112.3 | W720 I734 G744 A746 L758 N762 Y1073 Y1081 V1083 | W720-V760 PolarHBondContact NE1-O 3.28Å; I734-V760 HydrophobicContact CD1-CG2 4.11Å; I734-V760 HydrophobicContact CG1-CG2 4.39Å; I734-V760 HydrophobicContact CG2-CG2 3.82Å; G744-V760 WeakPolarHBondContact O-CG2 2.94Å; G744-V760 PolarHBondContact O-N 2.88Å; A746-V760 HydrophobicContact CB-CG2 4Å; L758-V760 PolarHBondContact O-N 3.42Å; V760-N762 PolarHBondContact O-N 3.08Å; V760-Y1073 HydrophobicContact CB-CD1 4.03Å; V760-Y1073 HydrophobicContact CB-CE1 4.5Å; V760-Y1073 HydrophobicContact CG1-CD1 3.73Å; V760-Y1073 HydrophobicContact CG1-CG 4.4Å; V760-Y1073 HydrophobicContact CG2-CD1 4.3Å; V760-Y1081 HydrophobicContact CG1-CD1 4.2Å; V760-Y1081 HydrophobicContact CG1-CD2 4.25Å; V760-Y1081 HydrophobicContact CG1-CG 3.7Å; V760-V1083 HydrophobicContact CG1-CG2 4.06Å |
| 761 | S | 89.5 | Confident | 91.5 | Very high | 39 Ų | 39 | 37.2 Ų | 37.2 | 27% | 0.273 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -27 | -177.3 | 57.9 | 0 | 0 | 0 | 0 | 114.9 | Y759 | Y759-S761 VanDerWaalsContact C-N 3.26Å; Y759-S761 PolarHBondContact O-N 3.45Å |
| 762 | N | 90.8 | Very high | 91.3 | Very high | 68 Ų | 68 | 38 Ų | 38 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -143.6 | -9.8 | -169.3 | 62.3 | 40.9 | 0 | 0 | 0 | 116.1 | W720 Y759 V760 H764 | W720-N762 WeakPolarHBondContact CB-O 3.28Å; W720-N762 VanDerWaalsContact CD1-CA 3.5Å; Y759-N762 WeakPolarHBondContact CB-OD1 3.48Å; Y759-N762 PolarHBondContact O-N 2.75Å; V760-N762 PolarHBondContact O-N 3.08Å; N762-H764 VanDerWaalsContact C-N 3.26Å; N762-H764 VanDerWaalsContact CG-CD2 3.47Å; N762-H764 PolarHBondContact O-N 2.89Å; N762-H764 VanDerWaalsContact OD1-CB 3.28Å; N762-H764 WeakPolarHBondContact OD1-CB 3.15Å; N762-H764 PolarHBondContact OD1-CD2 2.83Å; N762-H764 PolarHBondContact OD1-N 2.86Å |
| 763 | G | 92.5 | Very high | 91.3 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 11% | 0.113 | 24% | 0.235 | C | C | . | . | trans | 75.1 | 6.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y759 | Y759-G763 WeakPolarHBondContact O-CA 3.35Å; Y759-G763 PolarHBondContact O-N 2.68Å | ||
| 764 | H | 92.7 | Very high | 91.3 | Very high | 129 Ų | 129 | 41 Ų | 41 | 60% | 0.597 | 24% | 0.237 | S | C | * | . | trans | -68.2 | 141.8 | 172.4 | -68.8 | -51.8 | 0 | 0 | 0 | 110.8 | L758 Y759 N762 | L758-H764 WeakPolarHBondContact CA-O 3.45Å; Y759-H764 HydrophobicContact CD2-CB 4.39Å; Y759-H764 PolarHBondContact N-O 2.84Å; N762-H764 VanDerWaalsContact C-N 3.26Å; N762-H764 VanDerWaalsContact CG-CD2 3.47Å; N762-H764 PolarHBondContact O-N 2.89Å; N762-H764 VanDerWaalsContact OD1-CB 3.28Å; N762-H764 WeakPolarHBondContact OD1-CB 3.15Å; N762-H764 PolarHBondContact OD1-CD2 2.83Å; N762-H764 PolarHBondContact OD1-N 2.86Å | ||
| 765 | T | 92.6 | Very high | 90.8 | Very high | 49 Ų | 49 | 44.2 Ų | 44.2 | 30% | 0.301 | 26% | 0.258 | S | S | . | . | B | Isolated β-bridge | trans | -79.9 | 131.4 | -178 | 52.3 | 0 | 0 | 0 | 0 | 111.3 | A757 L758 A770 | A757-T765 WeakPolarHBondContact O-CA 3.4Å; L758-T765 HydrophobicContact CD2-CG2 3.56Å; T765-A770 HydrophobicContact CG2-CB 3.91Å; T765-A770 WeakPolarHBondContact CG2-O 3.38Å |
| 766 | I | 89.2 | Confident | 90.3 | Very high | 33 Ų | 33 | 46 Ų | 46 | 17% | 0.169 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -73 | -41.8 | 174.9 | -52.3 | -161.2 | 0 | 0 | 0 | 110.6 | F741 C745 A757 Y759 | F741-I766 HydrophobicContact CD1-CD1 3.65Å; F741-I766 HydrophobicContact CE1-CD1 3.56Å; F741-I766 HydrophobicContact CE1-CG2 4.18Å; C745-I766 HydrophobicContact CB-CD1 3.8Å; C745-I766 WeakPolarHBondContact SG-CD1 3.44Å; A757-I766 HydrophobicContact CB-CB 4.17Å; A757-I766 HydrophobicContact CB-CG1 4.39Å; A757-I766 PolarHBondContact O-N 2.86Å; Y759-I766 HydrophobicContact CD1-CD1 3.97Å; Y759-I766 HydrophobicContact CD1-CG1 4.35Å; Y759-I766 HydrophobicContact CD2-CD1 4.45Å; Y759-I766 HydrophobicContact CD2-CG1 3.96Å; Y759-I766 HydrophobicContact CE1-CD1 3.62Å; Y759-I766 HydrophobicContact CE1-CG1 4.12Å; Y759-I766 HydrophobicContact CE2-CD1 4.16Å; Y759-I766 HydrophobicContact CE2-CG1 3.71Å; Y759-I766 HydrophobicContact CG-CD1 4.37Å; Y759-I766 HydrophobicContact CG-CG1 4.28Å |
| 767 | W | 91.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -76.2 | 136.4 | -173.4 | -59.8 | -18.4 | 0 | 0 | 0 | 112.7 | F747 I755 A757 N769 A770 V772 L793 L805 I807 C809 | F747-W767 HydrophobicContact CD1-CZ2 4.07Å; F747-W767 HydrophobicContact CE1-CZ2 4.05Å; I755-W767 HydrophobicContact CG1-CH2 4.2Å; I755-W767 HydrophobicContact CG1-CZ3 4.29Å; I755-W767 HydrophobicContact CG2-CZ3 4.22Å; I755-W767 WeakPolarHBondContact O-CZ3 3.31Å; A757-W767 HydrophobicContact CB-CD2 3.74Å; A757-W767 HydrophobicContact CB-CE3 4.37Å; A757-W767 HydrophobicContact CB-CG 4.06Å; A757-W767 HydrophobicContact CB-CH2 4.44Å; A757-W767 HydrophobicContact CB-CZ2 3.8Å; W767-N769 PolarHBondContact O-N 2.65Å; W767-A770 PolarHBondContact O-N 2.98Å; W767-V772 HydrophobicContact CD2-CG2 4.43Å; W767-V772 HydrophobicContact CE3-CB 4.29Å; W767-V772 HydrophobicContact CE3-CG2 3.58Å; W767-V772 HydrophobicContact CZ3-CB 3.99Å; W767-V772 HydrophobicContact CZ3-CG2 3.71Å; W767-L793 HydrophobicContact CH2-CD2 3.9Å; W767-L793 HydrophobicContact CZ2-CD2 3.87Å; W767-L805 HydrophobicContact CH2-CD1 4Å; W767-I807 PolarHBondContact NE1-O 2.85Å; W767-C809 VanDerWaalsContact CD1-C 3.47Å |
| 768 | P | 80.9 | Confident | 90.3 | Very high | 115 Ų | 115 | 48.5 Ų | 48.5 | 75% | 0.747 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -27.8 | -175.7 | -28.5 | 34.9 | 0 | 0 | 0 | 115.8 | ||
| 769 | N | 83.6 | Confident | 90.2 | Very high | 131 Ų | 131 | 50.6 Ų | 50.6 | 70% | 0.701 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 3.8 | -179.9 | -69 | -52.9 | 0 | 0 | 0 | 113.9 | W767 T771 | W767-N769 PolarHBondContact O-N 2.65Å; N769-T771 PolarHBondContact O-N 2.92Å |
| 770 | A | 81.3 | Confident | 90.3 | Very high | 36 Ų | 36 | 46.7 Ų | 46.7 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 61.6 | -40 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | S756 T765 W767 | S756-A770 PolarHBondContact OG-O 2.83Å; T765-A770 HydrophobicContact CG2-CB 3.91Å; T765-A770 WeakPolarHBondContact CG2-O 3.38Å; W767-A770 PolarHBondContact O-N 2.98Å |
| 771 | T | 89.2 | Confident | 90.4 | Very high | 29 Ų | 29 | 47.1 Ų | 47.1 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -137.4 | 150.2 | 172.8 | 84.2 | 0 | 0 | 0 | 0 | 110 | L724 I755 S756 N769 | L724-T771 HydrophobicContact CD2-CG2 4.25Å; I755-T771 CarbonylContact O-C 3.24Å; I755-T771 WeakPolarHBondContact O-CA 3.48Å; S756-T771 WeakPolarHBondContact OG-CG2 3.32Å; N769-T771 PolarHBondContact O-N 2.92Å |
| 772 | V | 91.8 | Very high | 90.8 | Very high | 24 Ų | 24 | 45.5 Ų | 45.5 | 15% | 0.145 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 133.6 | 169.7 | 171.6 | 0 | 0 | 0 | 0 | 108 | S754 I755 W767 L774 G810 | S754-V772 CarbonylContact C-O 3.53Å; S754-V772 VanDerWaalsContact CA-O 3.28Å; S754-V772 WeakPolarHBondContact CA-O 3.31Å; I755-V772 HydrophobicContact CG2-CB 4.09Å; I755-V772 HydrophobicContact CG2-CG1 4.46Å; I755-V772 PolarHBondContact N-O 3.13Å; I755-V772 PolarHBondContact O-N 3.04Å; W767-V772 HydrophobicContact CD2-CG2 4.43Å; W767-V772 HydrophobicContact CE3-CB 4.29Å; W767-V772 HydrophobicContact CE3-CG2 3.58Å; W767-V772 HydrophobicContact CZ3-CB 3.99Å; W767-V772 HydrophobicContact CZ3-CG2 3.71Å; V772-L774 HydrophobicContact CG1-CD2 4.07Å; V772-G810 VanDerWaalsContact CG2-O 3.32Å; V772-G810 WeakPolarHBondContact CG2-O 3.24Å |
| 773 | S | 93.2 | Very high | 90.9 | Very high | 93 Ų | 93 | 43 Ų | 43 | 65% | 0.65 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 113.8 | -177.1 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 774 | L | 92.4 | Very high | 90.8 | Very high | 10 Ų | 10 | 42.6 Ų | 42.6 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | trans | -100.2 | 151 | 176.9 | -56 | -179.1 | 0 | 0 | 0 | 111.3 | G753 I755 V772 G776 I778 V795 Y803 L805 | G753-L774 WeakPolarHBondContact CA-O 3.45Å; G753-L774 PolarHBondContact O-N 3.49Å; I755-L774 HydrophobicContact CG2-CD1 4.07Å; I755-L774 HydrophobicContact CG2-CG 4.26Å; V772-L774 HydrophobicContact CG1-CD2 4.07Å; L774-G776 PolarHBondContact O-N 3.08Å; L774-I778 HydrophobicContact CD1-CD1 4.1Å; L774-V795 HydrophobicContact CD1-CG1 3.53Å; L774-Y803 HydrophobicContact CB-CD2 4.28Å; L774-Y803 HydrophobicContact CB-CE2 4.27Å; L774-Y803 HydrophobicContact CD1-CD2 3.83Å; L774-Y803 HydrophobicContact CD1-CG 3.91Å; L774-Y803 HydrophobicContact CD2-CD1 4.19Å; L774-Y803 HydrophobicContact CD2-CG 4.14Å; L774-Y803 HydrophobicContact CG-CD2 4.45Å; L774-Y803 HydrophobicContact CG-CG 4.48Å; L774-L805 HydrophobicContact CD1-CD1 4.4Å; L774-L805 HydrophobicContact CD1-CD2 4.46Å; L774-L805 HydrophobicContact CD2-CD2 4Å | ||
| 775 | P | 84.6 | Confident | 90.6 | Very high | 75 Ų | 75 | 36.4 Ų | 36.4 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -58.6 | 129.6 | 167.7 | -23.5 | 33.7 | 0 | 0 | 0 | 112.6 | S797 Y803 | P775-S797 PolarHBondContact O-OG 2.61Å; P775-Y803 WeakPolarHBondContact CB-OH 3.42Å; P775-Y803 WeakPolarHBondContact CD-OH 3.37Å; P775-Y803 VanDerWaalsContact CG-OH 3.31Å; P775-Y803 WeakPolarHBondContact CG-OH 3.46Å |
| 776 | G | 87.5 | Confident | 90.4 | Very high | 36 Ų | 36 | 35.3 Ų | 35.3 | 37% | 0.371 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 109.4 | -157.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L774 S797 | L774-G776 PolarHBondContact O-N 3.08Å; G776-S797 WeakPolarHBondContact CA-OG 3.49Å |
| 777 | R | 94.5 | Very high | 90 | Very high | 54 Ų | 54 | 34.6 Ų | 34.6 | 20% | 0.204 | 22% | 0.215 | C | C | . | . | trans | -113.2 | 142.7 | 166.3 | -56.7 | -172.2 | -168.2 | -167.8 | 5.5 | 107.1 | S797 L798 | R777-S797 PolarHBondContact O-OG 2.92Å; R777-L798 HydrophobicContact CB-CB 4.1Å; R777-L798 HydrophobicContact CB-CD1 4.47Å; R777-L798 HydrophobicContact CB-CD2 4.24Å; R777-L798 HydrophobicContact CB-CG 4.49Å; R777-L798 WeakPolarHBondContact O-CD1 3.34Å; R777-L798 PolarHBondContact O-N 2.8Å | ||
| 778 | I | 96.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -100.1 | 115.5 | 171.4 | -55.3 | 170.7 | 0 | 0 | 0 | 107.8 | A730 S750 I755 L774 V795 | A730-I778 HydrophobicContact CB-CG2 4.47Å; S750-I778 CarbonylContact C-O 3.59Å; S750-I778 PolarHBondContact O-N 3.01Å; I755-I778 HydrophobicContact CB-CD1 3.86Å; I755-I778 HydrophobicContact CG2-CD1 4.19Å; L774-I778 HydrophobicContact CD1-CD1 4.1Å; I778-V795 HydrophobicContact CD1-CG2 4.37Å; I778-V795 HydrophobicContact CG1-CG2 4.48Å; I778-V795 HydrophobicContact CG2-CG2 3.55Å | ||
| 779 | E | 94.7 | Very high | 88.8 | Confident | 44 Ų | 44 | 37.3 Ų | 37.3 | 21% | 0.206 | 25% | 0.247 | C | C | . | . | trans | -117.8 | -22 | 171.1 | -70.1 | 174.3 | -157.9 | 0 | 0 | 111.3 | A730 H751 L798 K823 | A730-E779 WeakPolarHBondContact CA-O 3.27Å; A730-E779 WeakPolarHBondContact CB-O 3.42Å; H751-E779 VanDerWaalsContact NE2-CG 3.31Å; H751-E779 WeakPolarHBondContact NE2-CG 3.4Å; H751-E779 IonicContact NE2-OE1 3.9Å; H751-E779 PolarHBondContact NE2-OE1 2.92Å; E779-L798 HydrophobicContact CB-CD1 3.77Å; E779-L798 HydrophobicContact CG-CD1 3.82Å; E779-L798 HydrophobicContact CG-CD2 4.46Å; E779-L798 WeakPolarHBondContact OE1-CD2 3.48Å; E779-K823 IonicContact OE1-NZ 2.95Å; E779-K823 WeakPolarHBondContact OE2-CE 3.18Å; E779-K823 IonicContact OE2-NZ 3.97Å; E779-K823 PolarHBondContact OE2-NZ 2.94Å | ||
| 780 | A | 94.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -73.1 | 138.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K823 | A780-K823 VanDerWaalsContact CA-O 3.32Å; A780-K823 WeakPolarHBondContact CA-O 3.32Å; A780-K823 WeakPolarHBondContact CB-O 3.22Å |
| 781 | S | 95.5 | Very high | 88.7 | Confident | 10 Ų | 10 | 32.9 Ų | 32.9 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 146.6 | 160.3 | -67.3 | 0 | 0 | 0 | 0 | 110.4 | H701 S731 | H701-S781 PolarHBondContact CE1-OG 2.95Å; H701-S781 VanDerWaalsContact CE1-OG 3.3Å; S731-S781 WeakPolarHBondContact O-CA 3.27Å; S731-S781 WeakPolarHBondContact O-CB 3.37Å; S731-S781 PolarHBondContact O-OG 2.84Å |
| 782 | S | 96 | Very high | 88.7 | Confident | 5 Ų | 5 | 31.5 Ų | 31.5 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -72 | 160.3 | 170 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | V794 | S782-V794 CarbonylContact C-O 3.43Å; S782-V794 WeakPolarHBondContact CA-O 3.39Å |
| 783 | T | 93.7 | Very high | 88.8 | Confident | 15 Ų | 15 | 30.4 Ų | 30.4 | 9% | 0.092 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 168.1 | 175.2 | -167.7 | 0 | 0 | 0 | 0 | 109.6 | V794 G826 L835 | T783-V794 HydrophobicContact CG2-CB 3.89Å; T783-V794 HydrophobicContact CG2-CG1 4.47Å; T783-V794 PolarHBondContact N-O 2.89Å; T783-V794 PolarHBondContact O-N 2.99Å; T783-G826 VanDerWaalsContact CB-O 3.25Å; T783-G826 WeakPolarHBondContact CB-O 3.29Å; T783-G826 WeakPolarHBondContact CG2-O 3.29Å; T783-G826 PolarHBondContact OG1-O 2.71Å; T783-L835 HydrophobicContact CG2-CD1 3.96Å |
| 784 | L | 91.2 | Very high | 88.9 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 133.6 | 178.5 | -164 | 64.1 | 0 | 0 | 0 | 110.3 | F696 M698 L735 V738 F786 A791 I807 Y828 | F696-L784 HydrophobicContact CD2-CD2 4.42Å; F696-L784 HydrophobicContact CE1-CD2 4.34Å; F696-L784 HydrophobicContact CE2-CD2 3.89Å; F696-L784 HydrophobicContact CZ-CD2 3.87Å; M698-L784 HydrophobicContact SD-CB 4.43Å; L735-L784 HydrophobicContact CD1-CD1 3.89Å; L735-L784 HydrophobicContact CD1-CD2 4.03Å; L735-L784 HydrophobicContact CD1-CG 4.42Å; L735-L784 HydrophobicContact CD2-CD2 4.07Å; V738-L784 HydrophobicContact CG2-CD2 4.47Å; L784-F786 HydrophobicContact CD2-CE2 4.21Å; L784-F786 HydrophobicContact CD2-CZ 3.69Å; L784-F786 HydrophobicContact CG-CE2 4.1Å; L784-F786 HydrophobicContact CG-CZ 3.92Å; L784-A791 HydrophobicContact CD1-CB 4.22Å; L784-I807 HydrophobicContact CD1-CD1 4.03Å; L784-Y828 WeakPolarHBondContact O-CB 3.15Å |
| 785 | G | 89 | Confident | 89 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 177.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V792 | G785-V792 PolarHBondContact N-O 3.03Å; G785-V792 PolarHBondContact O-N 3.26Å |
| 786 | F | 86.5 | Confident | 89.6 | Confident | 25 Ų | 25 | 22.4 Ų | 22.4 | 11% | 0.11 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 134 | -171.3 | -65.3 | -88.7 | 0 | 0 | 0 | 113.2 | F696 L784 S790 A791 Y828 Y830 L849 | F696-F786 HydrophobicContact CE1-CE1 4.14Å; F696-F786 HydrophobicContact CE1-CE2 4.41Å; F696-F786 AromaticContact CE1-CZ 3.5Å; F696-F786 HydrophobicContact CE1-CZ 3.5Å; F696-F786 VanDerWaalsContact CE1-CZ 3.5Å; F696-F786 HydrophobicContact CZ-CE2 4.04Å; F696-F786 AromaticContact CZ-CZ 3.51Å; F696-F786 HydrophobicContact CZ-CZ 3.51Å; L784-F786 HydrophobicContact CD2-CE2 4.21Å; L784-F786 HydrophobicContact CD2-CZ 3.69Å; L784-F786 HydrophobicContact CG-CE2 4.1Å; L784-F786 HydrophobicContact CG-CZ 3.92Å; F786-S790 WeakPolarHBondContact CA-O 3.09Å; F786-A791 HydrophobicContact CD1-CB 4.34Å; F786-A791 HydrophobicContact CE1-CB 3.85Å; F786-Y828 HydrophobicContact CB-CE1 4.13Å; F786-Y828 AromaticContact CD2-CD1 3.98Å; F786-Y828 HydrophobicContact CD2-CD1 3.98Å; F786-Y828 AromaticContact CD2-CE1 3.8Å; F786-Y828 HydrophobicContact CD2-CE1 3.8Å; F786-Y828 HydrophobicContact CG-CE1 4.43Å; F786-Y828 PolarHBondContact O-OH 2.91Å; F786-Y828 VanDerWaalsContact O-OH 3.14Å; F786-Y830 AromaticContact CD2-CE1 3.77Å; F786-Y830 HydrophobicContact CD2-CE1 3.77Å; F786-Y830 AromaticContact CE2-CE1 3.66Å; F786-Y830 HydrophobicContact CE2-CE1 3.66Å; F786-L849 WeakPolarHBondContact O-CB 3.33Å |
| 787 | A | 80.9 | Confident | 90 | Very high | 18 Ų | 18 | 20.7 Ų | 20.7 | 15% | 0.149 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 82.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | S789 S790 V792 L849 L852 | A787-S789 PolarHBondContact O-N 3.18Å; A787-S790 PolarHBondContact N-O 3.22Å; A787-S790 PolarHBondContact O-N 3.17Å; A787-V792 HydrophobicContact CB-CG2 3.85Å; A787-L849 VanDerWaalsContact CB-O 3.3Å; A787-L849 WeakPolarHBondContact CB-O 3.49Å; A787-L852 HydrophobicContact CB-CD1 3.79Å; A787-L852 HydrophobicContact CB-CD2 4.15Å; A787-L852 HydrophobicContact CB-CG 3.96Å |
| 788 | G | 75.8 | Confident | 90 | Very high | 58 Ų | 58 | 20.3 Ų | 20.3 | 60% | 0.598 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | -119 | -166.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 789 | S | 72.6 | Confident | 89.8 | Confident | 117 Ų | 117 | 23.1 Ų | 23.1 | 82% | 0.818 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84 | -16.4 | 174.7 | 53.1 | 0 | 0 | 0 | 0 | 114.3 | A787 | A787-S789 PolarHBondContact O-N 3.18Š|
| 790 | S | 76.9 | Confident | 89.7 | Confident | 66 Ų | 66 | 21 Ų | 21 | 46% | 0.462 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 128.4 | -175.3 | -64.1 | 0 | 0 | 0 | 0 | 111.7 | F786 A787 | F786-S790 WeakPolarHBondContact CA-O 3.09Å; A787-S790 PolarHBondContact N-O 3.22Å; A787-S790 PolarHBondContact O-N 3.17Å |
| 791 | A | 84.9 | Confident | 89.6 | Confident | 8 Ų | 8 | 21.4 Ų | 21.4 | 7% | 0.066 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 133.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V738 L784 F786 I807 | V738-A791 HydrophobicContact CG1-CB 4.21Å; L784-A791 HydrophobicContact CD1-CB 4.22Å; F786-A791 HydrophobicContact CD1-CB 4.34Å; F786-A791 HydrophobicContact CE1-CB 3.85Å; A791-I807 HydrophobicContact CB-CG2 4.5Å |
| 792 | V | 89.5 | Confident | 89.6 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 120.4 | -179.3 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | G785 A787 V794 L813 L852 | G785-V792 PolarHBondContact N-O 3.03Å; G785-V792 PolarHBondContact O-N 3.26Å; A787-V792 HydrophobicContact CB-CG2 3.85Å; V792-V794 HydrophobicContact CG1-CG2 4.07Å; V792-V794 PolarHBondContact O-N 2.9Å; V792-L813 HydrophobicContact CG1-CD1 4.41Å; V792-L813 HydrophobicContact CG2-CD1 4.3Å; V792-L852 HydrophobicContact CG1-CD2 4.47Å; V792-L852 HydrophobicContact CG2-CD2 4.19Å |
| 793 | L | 93.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 120.4 | 174 | -179.6 | 75.6 | 0 | 0 | 0 | 108.6 | L733 F747 I755 W767 L805 | L733-L793 HydrophobicContact CD2-CD1 3.84Å; F747-L793 HydrophobicContact CB-CD1 3.9Å; F747-L793 HydrophobicContact CB-CD2 4.17Å; F747-L793 HydrophobicContact CD1-CD1 3.9Å; F747-L793 HydrophobicContact CD1-CD2 3.37Å; F747-L793 HydrophobicContact CD1-CG 4.26Å; F747-L793 HydrophobicContact CD2-CD1 4.18Å; F747-L793 HydrophobicContact CE1-CD1 4.46Å; F747-L793 HydrophobicContact CE1-CD2 3.97Å; F747-L793 HydrophobicContact CG-CD1 3.72Å; F747-L793 HydrophobicContact CG-CD2 3.97Å; I755-L793 HydrophobicContact CD1-CD2 4.17Å; W767-L793 HydrophobicContact CH2-CD2 3.9Å; W767-L793 HydrophobicContact CZ2-CD2 3.87Å; L793-L805 HydrophobicContact CB-CB 4.4Å; L793-L805 HydrophobicContact CD2-CD1 4.36Å; L793-L805 PolarHBondContact N-O 3.15Å; L793-L805 PolarHBondContact O-N 3.22Å |
| 794 | V | 94.9 | Very high | 89.5 | Confident | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.024 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133 | -177.7 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | S782 T783 V792 I802 Y803 L835 L849 | S782-V794 CarbonylContact C-O 3.43Å; S782-V794 WeakPolarHBondContact CA-O 3.39Å; T783-V794 HydrophobicContact CG2-CB 3.89Å; T783-V794 HydrophobicContact CG2-CG1 4.47Å; T783-V794 PolarHBondContact N-O 2.89Å; T783-V794 PolarHBondContact O-N 2.99Å; V792-V794 HydrophobicContact CG1-CG2 4.07Å; V792-V794 PolarHBondContact O-N 2.9Å; V794-I802 HydrophobicContact CG1-CG2 3.25Å; V794-Y803 WeakPolarHBondContact CA-O 3.48Å; V794-L835 HydrophobicContact CB-CD2 4.26Å; V794-L835 HydrophobicContact CG1-CD2 3.63Å; V794-L835 HydrophobicContact CG2-CD2 4.42Å; V794-L849 HydrophobicContact CG2-CD1 4.07Å |
| 795 | V | 96.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 136.2 | -178.9 | 62.9 | 0 | 0 | 0 | 0 | 112 | I755 L774 I778 I802 Y803 L805 | I755-V795 HydrophobicContact CD1-CB 4.24Å; I755-V795 HydrophobicContact CD1-CG1 4.18Å; I755-V795 HydrophobicContact CD1-CG2 4.28Å; L774-V795 HydrophobicContact CD1-CG1 3.53Å; I778-V795 HydrophobicContact CD1-CG2 4.37Å; I778-V795 HydrophobicContact CG1-CG2 4.48Å; I778-V795 HydrophobicContact CG2-CG2 3.55Å; V795-I802 WeakPolarHBondContact O-CA 3.49Å; V795-Y803 PolarHBondContact N-O 3.02Å; V795-Y803 PolarHBondContact O-N 3.2Å; V795-L805 HydrophobicContact CG1-CD1 4.43Å |
| 796 | G | 95.4 | Very high | 89.6 | Confident | 5 Ų | 5 | 23 Ų | 23 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 143.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 797 | S | 96 | Very high | 89.7 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -127.9 | 154.1 | -178.6 | -179.1 | 0 | 0 | 0 | 0 | 113.1 | P775 G776 R777 D799 G800 S801 V822 | P775-S797 PolarHBondContact O-OG 2.61Å; G776-S797 WeakPolarHBondContact CA-OG 3.49Å; R777-S797 PolarHBondContact O-OG 2.92Å; S797-D799 WeakPolarHBondContact CB-OD1 3.3Å; S797-D799 PolarHBondContact O-N 3.15Å; S797-D799 PolarHBondContact OG-N 2.92Å; S797-D799 PolarHBondContact OG-OD1 2.94Å; S797-G800 PolarHBondContact O-N 2.87Å; S797-G800 VanDerWaalsContact O-N 3.16Å; S797-S801 PolarHBondContact N-O 3.08Å; S797-V822 PolarHBondContact O-N 3.24Å | ||
| 798 | L | 94.7 | Very high | 89.8 | Confident | 46 Ų | 46 | 26 Ų | 26 | 24% | 0.241 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -2.4 | 176.6 | -88.3 | 72.8 | 0 | 0 | 0 | 114.3 | R777 E779 A821 K823 | R777-L798 HydrophobicContact CB-CB 4.1Å; R777-L798 HydrophobicContact CB-CD1 4.47Å; R777-L798 HydrophobicContact CB-CD2 4.24Å; R777-L798 HydrophobicContact CB-CG 4.49Å; R777-L798 WeakPolarHBondContact O-CD1 3.34Å; R777-L798 PolarHBondContact O-N 2.8Å; E779-L798 HydrophobicContact CB-CD1 3.77Å; E779-L798 HydrophobicContact CG-CD1 3.82Å; E779-L798 HydrophobicContact CG-CD2 4.46Å; E779-L798 WeakPolarHBondContact OE1-CD2 3.48Å; L798-A821 HydrophobicContact CB-CB 4.32Å; L798-A821 HydrophobicContact CG-CB 4.06Å; L798-K823 HydrophobicContact CD1-CG 4.17Å |
| 799 | D | 92.6 | Very high | 90.3 | Very high | 59 Ų | 59 | 25.3 Ų | 25.3 | 32% | 0.316 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -14.3 | 164.8 | 79.4 | -43.3 | 0 | 0 | 0 | 112.4 | S797 S801 Y803 | S797-D799 WeakPolarHBondContact CB-OD1 3.3Å; S797-D799 PolarHBondContact O-N 3.15Å; S797-D799 PolarHBondContact OG-N 2.92Å; S797-D799 PolarHBondContact OG-OD1 2.94Å; D799-S801 VanDerWaalsContact OD1-CB 3.3Å; D799-S801 WeakPolarHBondContact OD1-CB 3.42Å; D799-S801 PolarHBondContact OD1-N 3.47Å; D799-S801 VanDerWaalsContact OD2-CB 3.28Å; D799-S801 WeakPolarHBondContact OD2-CB 3.48Å; D799-S801 PolarHBondContact OD2-OG 3.22Å; D799-Y803 PolarHBondContact OD2-OH 2.92Å; D799-Y803 VanDerWaalsContact OD2-OH 3.12Å |
| 800 | G | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 102.4 | -2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S797 T818 | S797-G800 PolarHBondContact O-N 2.87Å; S797-G800 VanDerWaalsContact O-N 3.16Å; G800-T818 PolarHBondContact O-N 3.19Å; G800-T818 PolarHBondContact O-OG1 2.85Å |
| 801 | S | 94.1 | Very high | 91.6 | Very high | 10 Ų | 10 | 20.7 Ų | 20.7 | 7% | 0.07 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 150.3 | -178.7 | -55 | 0 | 0 | 0 | 0 | 112.8 | S797 D799 Y803 Y816 | S797-S801 PolarHBondContact N-O 3.08Å; D799-S801 VanDerWaalsContact OD1-CB 3.3Å; D799-S801 WeakPolarHBondContact OD1-CB 3.42Å; D799-S801 PolarHBondContact OD1-N 3.47Å; D799-S801 VanDerWaalsContact OD2-CB 3.28Å; D799-S801 WeakPolarHBondContact OD2-CB 3.48Å; D799-S801 PolarHBondContact OD2-OG 3.22Å; S801-Y803 VanDerWaalsContact CB-CE2 3.46Å; S801-Y803 WeakPolarHBondContact CB-OH 3.26Å; S801-Y803 PolarHBondContact OG-OH 3.29Å; S801-Y816 CarbonylContact C-O 3.5Å; S801-Y816 VanDerWaalsContact CA-O 3.3Å; S801-Y816 WeakPolarHBondContact CA-O 3.27Å |
| 802 | I | 94.1 | Very high | 91.8 | Very high | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.026 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.6 | 161 | -66.5 | 179 | 0 | 0 | 0 | 107.4 | V794 V795 S815 Y816 T818 V822 C837 I847 | V794-I802 HydrophobicContact CG1-CG2 3.25Å; V795-I802 WeakPolarHBondContact O-CA 3.49Å; I802-S815 CarbonylContact O-C 3.21Å; I802-S815 VanDerWaalsContact O-CA 3.27Å; I802-S815 WeakPolarHBondContact O-CA 3.4Å; I802-Y816 PolarHBondContact N-O 3.31Å; I802-Y816 PolarHBondContact O-N 2.88Å; I802-T818 HydrophobicContact CD1-CG2 3.69Å; I802-T818 HydrophobicContact CG1-CG2 3.85Å; I802-V822 HydrophobicContact CD1-CG1 4.22Å; I802-V822 HydrophobicContact CD1-CG2 4.23Å; I802-V822 HydrophobicContact CG1-CB 4.32Å; I802-V822 HydrophobicContact CG1-CG1 4.15Å; I802-V822 HydrophobicContact CG1-CG2 3.86Å; I802-C837 HydrophobicContact CD1-CB 3.99Å; I802-C837 WeakPolarHBondContact CD1-SG 3.23Å; I802-I847 HydrophobicContact CD1-CD1 3.82Å |
| 803 | Y | 94.6 | Very high | 91.8 | Very high | 17 Ų | 17 | 26 Ų | 26 | 7% | 0.067 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.2 | 179.4 | -66.2 | -82.3 | 0 | 0 | 0 | 110.2 | L774 P775 V794 V795 D799 S801 S815 | L774-Y803 HydrophobicContact CB-CD2 4.28Å; L774-Y803 HydrophobicContact CB-CE2 4.27Å; L774-Y803 HydrophobicContact CD1-CD2 3.83Å; L774-Y803 HydrophobicContact CD1-CG 3.91Å; L774-Y803 HydrophobicContact CD2-CD1 4.19Å; L774-Y803 HydrophobicContact CD2-CG 4.14Å; L774-Y803 HydrophobicContact CG-CD2 4.45Å; L774-Y803 HydrophobicContact CG-CG 4.48Å; P775-Y803 WeakPolarHBondContact CB-OH 3.42Å; P775-Y803 WeakPolarHBondContact CD-OH 3.37Å; P775-Y803 VanDerWaalsContact CG-OH 3.31Å; P775-Y803 WeakPolarHBondContact CG-OH 3.46Å; V794-Y803 WeakPolarHBondContact CA-O 3.48Å; V795-Y803 PolarHBondContact N-O 3.02Å; V795-Y803 PolarHBondContact O-N 3.2Å; D799-Y803 PolarHBondContact OD2-OH 2.92Å; D799-Y803 VanDerWaalsContact OD2-OH 3.12Å; S801-Y803 VanDerWaalsContact CB-CE2 3.46Å; S801-Y803 WeakPolarHBondContact CB-OH 3.26Å; S801-Y803 PolarHBondContact OG-OH 3.29Å; Y803-S815 VanDerWaalsContact CE1-CB 3.46Å |
| 804 | G | 93.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 127.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | L813 C814 | G804-L813 PolarHBondContact O-N 3.18Å; G804-C814 VanDerWaalsContact CA-SG 3.54Å; G804-C814 PolarHBondContact N-O 3.44Å; G804-C814 PolarHBondContact O-N 3.36Å |
| 805 | L | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 147.2 | -179.8 | -49 | -175.5 | 0 | 0 | 0 | 110 | I755 W767 L774 L793 V795 T811 | I755-L805 HydrophobicContact CD1-CD1 4.22Å; I755-L805 HydrophobicContact CG2-CD1 3.85Å; W767-L805 HydrophobicContact CH2-CD1 4Å; L774-L805 HydrophobicContact CD1-CD1 4.4Å; L774-L805 HydrophobicContact CD1-CD2 4.46Å; L774-L805 HydrophobicContact CD2-CD2 4Å; L793-L805 HydrophobicContact CB-CB 4.4Å; L793-L805 HydrophobicContact CD2-CD1 4.36Å; L793-L805 PolarHBondContact N-O 3.15Å; L793-L805 PolarHBondContact O-N 3.22Å; V795-L805 HydrophobicContact CG1-CD1 4.43Å; L805-T811 WeakPolarHBondContact CA-O 3.5Å |
| 806 | D | 88.7 | Confident | 91.3 | Very high | 44 Ų | 44 | 31.3 Ų | 31.3 | 24% | 0.235 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 133.3 | 164.3 | -177.7 | -88.8 | 0 | 0 | 0 | 109.9 | E808 C809 G810 T811 L813 | D806-E808 PolarHBondContact OD1-N 3.11Å; D806-C809 VanDerWaalsContact CG-SG 3.52Å; D806-C809 PolarHBondContact OD1-N 3.01Å; D806-C809 PolarHBondContact OD1-SG 2.75Å; D806-G810 WeakPolarHBondContact O-CA 3.42Å; D806-G810 PolarHBondContact O-N 3.35Å; D806-T811 PolarHBondContact N-O 3.33Å; D806-L813 HydrophobicContact CB-CD1 4.11Å; D806-L813 HydrophobicContact CB-CD2 4.18Å; D806-L813 HydrophobicContact CB-CG 4.08Å |
| 807 | I | 88.5 | Confident | 91.2 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -30 | -172.7 | -161 | 171.4 | 0 | 0 | 0 | 112.8 | L735 V738 F741 F747 W767 L784 A791 | L735-I807 HydrophobicContact CD1-CD1 3.78Å; V738-I807 HydrophobicContact CG1-CD1 4.07Å; F741-I807 HydrophobicContact CE2-CD1 3.79Å; F741-I807 HydrophobicContact CE2-CG1 3.79Å; F741-I807 HydrophobicContact CE2-CG2 4.48Å; F741-I807 HydrophobicContact CZ-CG1 4.21Å; F747-I807 HydrophobicContact CE1-CG1 3.86Å; F747-I807 HydrophobicContact CE2-CD1 4.45Å; F747-I807 HydrophobicContact CE2-CG1 4.44Å; F747-I807 HydrophobicContact CZ-CD1 3.97Å; F747-I807 HydrophobicContact CZ-CG1 3.53Å; W767-I807 PolarHBondContact NE1-O 2.85Å; L784-I807 HydrophobicContact CD1-CD1 4.03Å; A791-I807 HydrophobicContact CB-CG2 4.5Å |
| 808 | E | 83.6 | Confident | 91 | Very high | 102 Ų | 102 | 35.7 Ų | 35.7 | 48% | 0.477 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -36.3 | -175.1 | -62.5 | -174.5 | 175.8 | 0 | 0 | 112.6 | H739 D806 | H739-E808 HydrophobicContact CB-CG 4.45Å; H739-E808 IonicContact CE1-OE1 3.73Å; H739-E808 IonicContact CG-OE1 3.71Å; H739-E808 IonicContact ND1-OE1 2.68Å; H739-E808 PolarHBondContact ND1-OE1 3.13Å; D806-E808 PolarHBondContact OD1-N 3.11Å |
| 809 | C | 86.3 | Confident | 90.8 | Very high | 45 Ų | 45 | 36.5 Ų | 36.5 | 30% | 0.304 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | -10.5 | -176.2 | 71.5 | 0 | 0 | 0 | 0 | 115.1 | W767 D806 T811 | W767-C809 VanDerWaalsContact CD1-C 3.47Å; D806-C809 VanDerWaalsContact CG-SG 3.52Å; D806-C809 PolarHBondContact OD1-N 3.01Å; D806-C809 PolarHBondContact OD1-SG 2.75Å; C809-T811 VanDerWaalsContact C-N 3.26Å; C809-T811 PolarHBondContact O-N 2.85Å; C809-T811 PolarHBondContact SG-OG1 3.36Å |
| 810 | G | 88.7 | Confident | 90.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | 77.6 | 2.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V772 D806 S812 | V772-G810 VanDerWaalsContact CG2-O 3.32Å; V772-G810 WeakPolarHBondContact CG2-O 3.24Å; D806-G810 WeakPolarHBondContact O-CA 3.42Å; D806-G810 PolarHBondContact O-N 3.35Å; G810-S812 PolarHBondContact O-N 2.96Å | ||
| 811 | T | 88 | Confident | 90.7 | Very high | 85 Ų | 85 | 35.4 Ų | 35.4 | 52% | 0.521 | 22% | 0.222 | S | C | . | . | trans | -58.2 | 132 | 178.5 | -61.9 | 0 | 0 | 0 | 0 | 110.3 | L805 D806 C809 L813 | L805-T811 WeakPolarHBondContact CA-O 3.5Å; D806-T811 PolarHBondContact N-O 3.33Å; C809-T811 VanDerWaalsContact C-N 3.26Å; C809-T811 PolarHBondContact O-N 2.85Å; C809-T811 PolarHBondContact SG-OG1 3.36Å; T811-L813 PolarHBondContact O-N 3.26Å; T811-L813 VanDerWaalsContact O-N 3.14Å | ||
| 812 | S | 89.6 | Confident | 90.8 | Very high | 57 Ų | 57 | 35 Ų | 35 | 40% | 0.399 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 112.7 | 176.1 | -174 | 0 | 0 | 0 | 0 | 109.8 | G810 | G810-S812 PolarHBondContact O-N 2.96Å |
| 813 | L | 88.7 | Confident | 90.7 | Very high | 63 Ų | 63 | 37.6 Ų | 37.6 | 33% | 0.33 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -35.8 | 179 | -63.7 | 173.3 | 0 | 0 | 0 | 111.1 | V792 G804 D806 T811 L852 | V792-L813 HydrophobicContact CG1-CD1 4.41Å; V792-L813 HydrophobicContact CG2-CD1 4.3Å; G804-L813 PolarHBondContact O-N 3.18Å; D806-L813 HydrophobicContact CB-CD1 4.11Å; D806-L813 HydrophobicContact CB-CD2 4.18Å; D806-L813 HydrophobicContact CB-CG 4.08Å; T811-L813 PolarHBondContact O-N 3.26Å; T811-L813 VanDerWaalsContact O-N 3.14Å; L813-L852 HydrophobicContact CB-CD1 4.27Å; L813-L852 HydrophobicContact CD1-CD1 4.07Å |
| 814 | C | 89.2 | Confident | 90.6 | Very high | 11 Ų | 11 | 37 Ų | 37 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 161.1 | -173 | 57.8 | 0 | 0 | 0 | 0 | 112.7 | G804 L852 M855 | G804-C814 VanDerWaalsContact CA-SG 3.54Å; G804-C814 PolarHBondContact N-O 3.44Å; G804-C814 PolarHBondContact O-N 3.36Å; C814-L852 HydrophobicContact CB-CB 4.27Å; C814-L852 HydrophobicContact CB-CD2 4.37Å; C814-L852 WeakPolarHBondContact CB-O 3.22Å; C814-L852 VanDerWaalsContact SG-CD2 3.57Å; C814-M855 HydrophobicContact CB-CE 3.8Å; C814-M855 HydrophobicContact CB-CG 3.84Å; C814-M855 HydrophobicContact CB-SD 4.11Å; C814-M855 WeakPolarHBondContact SG-CE 3.31Å; C814-M855 PolarHBondContact SG-SD 2.79Å |
| 815 | S | 92.1 | Very high | 90.6 | Very high | 69 Ų | 69 | 38.4 Ų | 38.4 | 48% | 0.483 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 149.5 | 169.7 | 66 | 0 | 0 | 0 | 0 | 111.9 | I802 Y803 | I802-S815 CarbonylContact O-C 3.21Å; I802-S815 VanDerWaalsContact O-CA 3.27Å; I802-S815 WeakPolarHBondContact O-CA 3.4Å; Y803-S815 VanDerWaalsContact CE1-CB 3.46Å |
| 816 | Y | 93.2 | Very high | 90.6 | Very high | 36 Ų | 36 | 38.7 Ų | 38.7 | 14% | 0.141 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 128.6 | 176.9 | 170.6 | -107.6 | 0 | 0 | 0 | 110.5 | S801 I802 T818 H845 I847 P857 | S801-Y816 CarbonylContact C-O 3.5Å; S801-Y816 VanDerWaalsContact CA-O 3.3Å; S801-Y816 WeakPolarHBondContact CA-O 3.27Å; I802-Y816 PolarHBondContact N-O 3.31Å; I802-Y816 PolarHBondContact O-N 2.88Å; Y816-T818 HydrophobicContact CD1-CG2 3.92Å; Y816-T818 HydrophobicContact CE1-CG2 3.88Å; Y816-H845 HydrophobicContact CE1-CB 4.48Å; Y816-H845 AromaticContact CE1-ND1 3.72Å; Y816-H845 AromaticContact CZ-ND1 3.93Å; Y816-H845 PolarHBondContact OH-CE1 3.11Å; Y816-H845 PolarHBondContact OH-ND1 3.39Å; Y816-I847 HydrophobicContact CD1-CD1 3.46Å; Y816-I847 VanDerWaalsContact CD1-CD1 3.46Å; Y816-I847 HydrophobicContact CD1-CG1 3.93Å; Y816-I847 HydrophobicContact CE1-CD1 3.93Å; Y816-I847 HydrophobicContact CE1-CG1 4.1Å; Y816-I847 HydrophobicContact CG-CD1 4.35Å; Y816-P857 HydrophobicContact CE2-CG 4.37Å |
| 817 | N | 93.7 | Very high | 90.7 | Very high | 96 Ų | 96 | 38.1 Ų | 38.1 | 51% | 0.513 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 121.3 | 178.4 | -170.3 | -33.8 | 0 | 0 | 0 | 110.7 | G819 | N817-G819 PolarHBondContact OD1-N 3.36Å |
| 818 | T | 93 | Very high | 90.9 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | trans | -89.6 | -2.1 | -175.7 | 64.9 | 0 | 0 | 0 | 0 | 114.2 | G800 I802 Y816 G820 V822 S839 H845 | G800-T818 PolarHBondContact O-N 3.19Å; G800-T818 PolarHBondContact O-OG1 2.85Å; I802-T818 HydrophobicContact CD1-CG2 3.69Å; I802-T818 HydrophobicContact CG1-CG2 3.85Å; Y816-T818 HydrophobicContact CD1-CG2 3.92Å; Y816-T818 HydrophobicContact CE1-CG2 3.88Å; T818-G820 PolarHBondContact OG1-O 3.48Å; T818-V822 HydrophobicContact CG2-CG2 3.83Å; T818-V822 VanDerWaalsContact OG1-CG2 3.28Å; T818-V822 WeakPolarHBondContact OG1-CG2 3.1Å; T818-S839 WeakPolarHBondContact OG1-CB 3.4Å; T818-H845 VanDerWaalsContact C-CE1 3.44Å; T818-H845 WeakPolarHBondContact CB-NE2 3.37Å; T818-H845 PolarHBondContact O-CE1 2.63Å; T818-H845 PolarHBondContact O-NE2 3.37Å | ||
| 819 | G | 89.6 | Confident | 91.1 | Very high | 63 Ų | 63 | 34.4 Ų | 34.4 | 65% | 0.649 | 22% | 0.222 | S | C | * | . | S | Bend | trans | 89.7 | -5.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | N817 | N817-G819 PolarHBondContact OD1-N 3.36Š|
| 820 | G | 89.8 | Confident | 91 | Very high | 18 Ų | 18 | 35.4 Ų | 35.4 | 19% | 0.186 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 178 | 157 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | T818 | T818-G820 PolarHBondContact OG1-O 3.48Š|
| 821 | A | 93.9 | Very high | 90.5 | Very high | 19 Ų | 19 | 39 Ų | 39 | 16% | 0.157 | 24% | 0.239 | C | C | . | . | trans | -33.3 | 135.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L798 H840 | L798-A821 HydrophobicContact CB-CB 4.32Å; L798-A821 HydrophobicContact CG-CB 4.06Å; A821-H840 HydrophobicContact CB-CB 4.18Å; A821-H840 VanDerWaalsContact O-CB 3.28Å; A821-H840 WeakPolarHBondContact O-CB 3.39Å; A821-H840 PolarHBondContact O-CD2 2.92Å; A821-H840 PolarHBondContact O-N 2.95Å | ||
| 822 | V | 95.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | trans | -106.8 | 122.9 | 175.5 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | S797 I802 T818 | S797-V822 PolarHBondContact O-N 3.24Å; I802-V822 HydrophobicContact CD1-CG1 4.22Å; I802-V822 HydrophobicContact CD1-CG2 4.23Å; I802-V822 HydrophobicContact CG1-CB 4.32Å; I802-V822 HydrophobicContact CG1-CG1 4.15Å; I802-V822 HydrophobicContact CG1-CG2 3.86Å; T818-V822 HydrophobicContact CG2-CG2 3.83Å; T818-V822 VanDerWaalsContact OG1-CG2 3.28Å; T818-V822 WeakPolarHBondContact OG1-CG2 3.1Å | ||
| 823 | K | 92.7 | Very high | 90.1 | Very high | 58 Ų | 58 | 36.4 Ų | 36.4 | 25% | 0.252 | 21% | 0.214 | S | C | . | . | trans | -120.9 | -16.6 | -172.9 | -66.7 | -155.2 | 178 | -149.3 | 0 | 115.3 | E779 A780 L798 | E779-K823 IonicContact OE1-NZ 2.95Å; E779-K823 WeakPolarHBondContact OE2-CE 3.18Å; E779-K823 IonicContact OE2-NZ 3.97Å; E779-K823 PolarHBondContact OE2-NZ 2.94Å; A780-K823 VanDerWaalsContact CA-O 3.32Å; A780-K823 WeakPolarHBondContact CA-O 3.32Å; A780-K823 WeakPolarHBondContact CB-O 3.22Å; L798-K823 HydrophobicContact CD1-CG 4.17Å | ||
| 824 | S | 92.2 | Very high | 90.2 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -105.2 | 151.8 | 174.2 | 41.2 | 0 | 0 | 0 | 0 | 111.3 | V869 S870 | S824-V869 VanDerWaalsContact CB-O 3.27Å; S824-V869 WeakPolarHBondContact CB-O 3.5Å; S824-V869 PolarHBondContact OG-O 3.2Å; S824-S870 PolarHBondContact OG-O 2.87Å |
| 825 | P | 93.8 | Very high | 90.4 | Very high | 30 Ų | 30 | 33.2 Ų | 33.2 | 20% | 0.195 | 20% | 0.196 | C | C | . | . | trans | -61.3 | 145.8 | 164.1 | 27.1 | -34.6 | 0 | 0 | 0 | 110.5 | P871 | P825-P871 HydrophobicContact CG-CB 4.42Å; P825-P871 HydrophobicContact CG-CG 4.39Å | ||
| 826 | G | 91.8 | Very high | 90.5 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 7% | 0.072 | 17% | 0.173 | C | C | . | . | trans | -78.7 | 161.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112 | T783 A836 | T783-G826 VanDerWaalsContact CB-O 3.25Å; T783-G826 WeakPolarHBondContact CB-O 3.29Å; T783-G826 WeakPolarHBondContact CG2-O 3.29Å; T783-G826 PolarHBondContact OG1-O 2.71Å; G826-A836 CarbonylContact C-O 3.47Å; G826-A836 WeakPolarHBondContact CA-O 3.48Å | ||
| 827 | S | 92.1 | Very high | 90.6 | Very high | 32 Ų | 32 | 28.3 Ų | 28.3 | 22% | 0.224 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 129.4 | 171.1 | -67.4 | 0 | 0 | 0 | 0 | 110.2 | A836 V872 | S827-A836 PolarHBondContact N-O 3.05Å; S827-A836 PolarHBondContact O-N 3.3Å; S827-V872 VanDerWaalsContact CB-O 3.3Å; S827-V872 WeakPolarHBondContact CB-O 3.38Å; S827-V872 PolarHBondContact OG-O 3.21Å |
| 828 | Y | 91.1 | Very high | 90.6 | Very high | 25 Ų | 25 | 23.7 Ų | 23.7 | 10% | 0.098 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 133.8 | 177.4 | -169.3 | -102.1 | 0 | 0 | 0 | 111.2 | L784 F786 Y830 G833 F834 L835 L849 | L784-Y828 WeakPolarHBondContact O-CB 3.15Å; F786-Y828 HydrophobicContact CB-CE1 4.13Å; F786-Y828 AromaticContact CD2-CD1 3.98Å; F786-Y828 HydrophobicContact CD2-CD1 3.98Å; F786-Y828 AromaticContact CD2-CE1 3.8Å; F786-Y828 HydrophobicContact CD2-CE1 3.8Å; F786-Y828 HydrophobicContact CG-CE1 4.43Å; F786-Y828 PolarHBondContact O-OH 2.91Å; F786-Y828 VanDerWaalsContact O-OH 3.14Å; Y828-Y830 AromaticContact CD1-CD1 3.54Å; Y828-Y830 HydrophobicContact CD1-CD1 3.54Å; Y828-Y830 HydrophobicContact CD1-CD2 4.25Å; Y828-Y830 AromaticContact CD1-CE1 3.55Å; Y828-Y830 HydrophobicContact CD1-CE1 3.55Å; Y828-Y830 HydrophobicContact CD1-CE2 4.26Å; Y828-Y830 AromaticContact CD1-CG 3.91Å; Y828-Y830 HydrophobicContact CD1-CG 3.91Å; Y828-Y830 AromaticContact CD1-CZ 3.93Å; Y828-Y830 AromaticContact CE1-CD1 3.62Å; Y828-Y830 HydrophobicContact CE1-CD1 3.62Å; Y828-Y830 AromaticContact CE1-CE1 3.91Å; Y828-Y830 HydrophobicContact CE1-CE1 3.91Å; Y828-Y830 HydrophobicContact CE1-CG 4.2Å; Y828-G833 VanDerWaalsContact OH-CA 3.31Å; Y828-G833 WeakPolarHBondContact OH-CA 3.39Å; Y828-F834 WeakPolarHBondContact CD2-O 3.32Å; Y828-L835 HydrophobicContact CD2-CB 4.45Å; Y828-L849 HydrophobicContact CD2-CD1 3.98Å; Y828-L849 HydrophobicContact CE2-CD1 3.89Å; Y828-L849 HydrophobicContact CE2-CG 4.42Å |
| 829 | V | 89.2 | Confident | 90.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 88 | -175.7 | -166.1 | 0 | 0 | 0 | 0 | 108.5 | D831 Y832 G833 F834 A836 V874 P883 L885 | V829-D831 PolarHBondContact O-N 3.12Å; V829-Y832 HydrophobicContact CG1-CD2 3.88Å; V829-Y832 PolarHBondContact O-N 3.45Å; V829-Y832 VanDerWaalsContact O-N 3.13Å; V829-G833 PolarHBondContact O-N 2.83Å; V829-F834 HydrophobicContact CB-CD2 4.28Å; V829-F834 HydrophobicContact CB-CE1 4.27Å; V829-F834 HydrophobicContact CB-CE2 4.02Å; V829-F834 HydrophobicContact CB-CZ 4Å; V829-F834 HydrophobicContact CG1-CE1 4.42Å; V829-F834 HydrophobicContact CG1-CZ 4.22Å; V829-F834 HydrophobicContact CG2-CD2 3.95Å; V829-F834 HydrophobicContact CG2-CE2 3.47Å; V829-F834 VanDerWaalsContact CG2-CE2 3.47Å; V829-F834 HydrophobicContact CG2-CZ 3.8Å; V829-F834 PolarHBondContact N-O 3.48Å; V829-A836 HydrophobicContact CG2-CB 4.05Å; V829-V874 HydrophobicContact CG1-CG1 4.44Å; V829-V874 HydrophobicContact CG2-CG2 3.89Å; V829-P883 HydrophobicContact CG1-CB 4.34Å; V829-P883 HydrophobicContact CG1-CG 3.89Å; V829-L885 HydrophobicContact CG2-CD2 4Å |
| 830 | Y | 82.9 | Confident | 90.8 | Very high | 67 Ų | 67 | 22.6 Ų | 22.6 | 26% | 0.263 | 12% | 0.121 | S | C | . | . | G | 310 helix | trans | -52.7 | -45.9 | -169 | -69.6 | -80.7 | 0 | 0 | 0 | 114 | H694 F786 Y828 Y832 G833 | H694-Y830 AromaticContact CE1-CD1 3.46Å; H694-Y830 VanDerWaalsContact CE1-CD1 3.46Å; H694-Y830 WeakPolarHBondContact CE1-CD1 3.31Å; H694-Y830 AromaticContact CE1-CE1 3.2Å; H694-Y830 WeakPolarHBondContact CE1-CE1 3.43Å; H694-Y830 AromaticContact CE1-CZ 3.64Å; H694-Y830 AromaticContact NE2-CD1 3.74Å; H694-Y830 AromaticContact NE2-CD2 3.95Å; H694-Y830 AromaticContact NE2-CE1 3.36Å; H694-Y830 WeakPolarHBondContact NE2-CE1 3.48Å; H694-Y830 AromaticContact NE2-CE2 3.59Å; H694-Y830 AromaticContact NE2-CZ 3.26Å; H694-Y830 VanDerWaalsContact NE2-CZ 3.26Å; F786-Y830 AromaticContact CD2-CE1 3.77Å; F786-Y830 HydrophobicContact CD2-CE1 3.77Å; F786-Y830 AromaticContact CE2-CE1 3.66Å; F786-Y830 HydrophobicContact CE2-CE1 3.66Å; Y828-Y830 AromaticContact CD1-CD1 3.54Å; Y828-Y830 HydrophobicContact CD1-CD1 3.54Å; Y828-Y830 HydrophobicContact CD1-CD2 4.25Å; Y828-Y830 AromaticContact CD1-CE1 3.55Å; Y828-Y830 HydrophobicContact CD1-CE1 3.55Å; Y828-Y830 HydrophobicContact CD1-CE2 4.26Å; Y828-Y830 AromaticContact CD1-CG 3.91Å; Y828-Y830 HydrophobicContact CD1-CG 3.91Å; Y828-Y830 AromaticContact CD1-CZ 3.93Å; Y828-Y830 AromaticContact CE1-CD1 3.62Å; Y828-Y830 HydrophobicContact CE1-CD1 3.62Å; Y828-Y830 AromaticContact CE1-CE1 3.91Å; Y828-Y830 HydrophobicContact CE1-CE1 3.91Å; Y828-Y830 HydrophobicContact CE1-CG 4.2Å; Y830-Y832 PolarHBondContact O-N 2.78Å; Y830-Y832 VanDerWaalsContact O-N 3.12Å; Y830-G833 PolarHBondContact O-N 2.99Å |
| 831 | D | 79.7 | Confident | 90.9 | Very high | 76 Ų | 76 | 22.8 Ų | 22.8 | 41% | 0.406 | 12% | 0.123 | S | C | . | . | G | 310 helix | trans | -59.3 | -25.7 | -178.1 | -59.8 | -42.7 | 0 | 0 | 0 | 114.7 | Y692 V829 Y876 P883 | Y692-D831 PolarHBondContact OH-OD1 2.71Å; Y692-D831 PolarHBondContact OH-OD2 3.07Å; V829-D831 PolarHBondContact O-N 3.12Å; D831-Y876 WeakPolarHBondContact OD2-CE1 3.41Å; D831-P883 HydrophobicContact CB-CG 4.4Å; D831-P883 VanDerWaalsContact OD2-CD 3.32Å; D831-P883 WeakPolarHBondContact OD2-CD 3.23Å; D831-P883 WeakPolarHBondContact OD2-CG 3.48Å |
| 832 | Y | 84.6 | Confident | 90.9 | Very high | 76 Ų | 76 | 27.3 Ų | 27.3 | 30% | 0.298 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -117.3 | -4.3 | -176.1 | -61 | -61.6 | 0 | 0 | 0 | 113.5 | V829 Y830 F834 P883 P899 R900 | V829-Y832 HydrophobicContact CG1-CD2 3.88Å; V829-Y832 PolarHBondContact O-N 3.45Å; V829-Y832 VanDerWaalsContact O-N 3.13Å; Y830-Y832 PolarHBondContact O-N 2.78Å; Y830-Y832 VanDerWaalsContact O-N 3.12Å; Y832-F834 VanDerWaalsContact CB-CD1 3.4Å; Y832-F834 HydrophobicContact CD2-CE1 4Å; Y832-F834 HydrophobicContact CG-CD1 4.47Å; Y832-F834 AromaticContact CG-CE1 3.99Å; Y832-F834 HydrophobicContact CG-CE1 3.99Å; Y832-P883 HydrophobicContact CD2-CG 4.17Å; Y832-P883 HydrophobicContact CE2-CG 3.77Å; Y832-P899 HydrophobicContact CD2-CB 4.48Å; Y832-P899 HydrophobicContact CD2-CG 4.18Å; Y832-P899 HydrophobicContact CE2-CB 4.43Å; Y832-P899 HydrophobicContact CE2-CG 3.76Å; Y832-R900 WeakPolarHBondContact OH-CD 3.46Å; Y832-R900 WeakPolarHBondContact OH-CG 3.28Å |
| 833 | G | 83.6 | Confident | 90.8 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 10% | 0.103 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 29.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y828 V829 Y830 | Y828-G833 VanDerWaalsContact OH-CA 3.31Å; Y828-G833 WeakPolarHBondContact OH-CA 3.39Å; V829-G833 PolarHBondContact O-N 2.83Å; Y830-G833 PolarHBondContact O-N 2.99Å |
| 834 | F | 90.6 | Very high | 90.9 | Very high | 6 Ų | 6 | 26.7 Ų | 26.7 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 159.1 | -176.2 | 74.4 | -107.2 | 0 | 0 | 0 | 113.6 | Y828 V829 Y832 A836 A846 I847 I858 W859 L885 P899 | Y828-F834 WeakPolarHBondContact CD2-O 3.32Å; V829-F834 HydrophobicContact CB-CD2 4.28Å; V829-F834 HydrophobicContact CB-CE1 4.27Å; V829-F834 HydrophobicContact CB-CE2 4.02Å; V829-F834 HydrophobicContact CB-CZ 4Å; V829-F834 HydrophobicContact CG1-CE1 4.42Å; V829-F834 HydrophobicContact CG1-CZ 4.22Å; V829-F834 HydrophobicContact CG2-CD2 3.95Å; V829-F834 HydrophobicContact CG2-CE2 3.47Å; V829-F834 VanDerWaalsContact CG2-CE2 3.47Å; V829-F834 HydrophobicContact CG2-CZ 3.8Å; V829-F834 PolarHBondContact N-O 3.48Å; Y832-F834 VanDerWaalsContact CB-CD1 3.4Å; Y832-F834 HydrophobicContact CD2-CE1 4Å; Y832-F834 HydrophobicContact CG-CD1 4.47Å; Y832-F834 AromaticContact CG-CE1 3.99Å; Y832-F834 HydrophobicContact CG-CE1 3.99Å; F834-A836 HydrophobicContact CE2-CB 4.16Å; F834-A846 HydrophobicContact CD2-CB 3.45Å; F834-A846 VanDerWaalsContact CD2-CB 3.45Å; F834-A846 HydrophobicContact CE2-CB 3.46Å; F834-A846 VanDerWaalsContact CE2-CB 3.46Å; F834-A846 HydrophobicContact CG-CB 4.09Å; F834-A846 HydrophobicContact CZ-CB 4.11Å; F834-I847 WeakPolarHBondContact CA-O 3.42Å; F834-I847 WeakPolarHBondContact CB-O 3.49Å; F834-I858 HydrophobicContact CB-CD1 3.61Å; F834-I858 HydrophobicContact CD1-CD1 4.02Å; F834-I858 HydrophobicContact CG-CD1 4.09Å; F834-W859 HydrophobicContact CE2-CZ2 4.22Å; F834-W859 HydrophobicContact CZ-CZ2 4.07Å; F834-L885 HydrophobicContact CE2-CD1 4.36Å; F834-L885 HydrophobicContact CZ-CD1 4.45Å; F834-P899 HydrophobicContact CE1-CB 4.25Å; F834-P899 HydrophobicContact CZ-CB 3.75Å |
| 835 | L | 93.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 120.9 | 174.3 | -172.5 | 78.9 | 0 | 0 | 0 | 111.4 | T783 V794 Y828 A846 I847 L849 | T783-L835 HydrophobicContact CG2-CD1 3.96Å; V794-L835 HydrophobicContact CB-CD2 4.26Å; V794-L835 HydrophobicContact CG1-CD2 3.63Å; V794-L835 HydrophobicContact CG2-CD2 4.42Å; Y828-L835 HydrophobicContact CD2-CB 4.45Å; L835-A846 CarbonylContact O-C 3.17Å; L835-A846 WeakPolarHBondContact O-CA 3.29Å; L835-I847 PolarHBondContact N-O 3.17Å; L835-I847 PolarHBondContact O-N 3.35Å; L835-L849 HydrophobicContact CB-CD1 4.2Å; L835-L849 HydrophobicContact CB-CG 4.31Å |
| 836 | A | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 128.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G826 S827 V829 F834 H845 V872 L885 | G826-A836 CarbonylContact C-O 3.47Å; G826-A836 WeakPolarHBondContact CA-O 3.48Å; S827-A836 PolarHBondContact N-O 3.05Å; S827-A836 PolarHBondContact O-N 3.3Å; V829-A836 HydrophobicContact CG2-CB 4.05Å; F834-A836 HydrophobicContact CE2-CB 4.16Å; A836-H845 WeakPolarHBondContact CA-O 3.39Å; A836-V872 HydrophobicContact CB-CG1 4.09Å; A836-L885 HydrophobicContact CB-CD1 3.89Å; A836-L885 HydrophobicContact CB-CD2 3.93Å |
| 837 | C | 94.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 151.2 | 180 | 58.6 | 0 | 0 | 0 | 0 | 113.6 | I802 V844 H845 | I802-C837 HydrophobicContact CD1-CB 3.99Å; I802-C837 WeakPolarHBondContact CD1-SG 3.23Å; C837-V844 CarbonylContact O-C 3.6Å; C837-V844 WeakPolarHBondContact O-CA 3.45Å; C837-H845 PolarHBondContact N-O 3.06Å; C837-H845 PolarHBondContact O-N 3.1Å |
| 838 | G | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 161.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I868 | G838-I868 CarbonylContact C-O 3.53Å |
| 839 | S | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -145.4 | 155.2 | 177.5 | 63.2 | 0 | 0 | 0 | 0 | 112.7 | T818 G841 K842 L843 H845 I868 | T818-S839 WeakPolarHBondContact OG1-CB 3.4Å; S839-G841 PolarHBondContact O-N 3.07Å; S839-G841 PolarHBondContact OG-N 2.65Å; S839-K842 PolarHBondContact O-N 3.5Å; S839-L843 PolarHBondContact N-O 2.8Å; S839-L843 PolarHBondContact OG-O 2.86Å; S839-H845 WeakPolarHBondContact CB-NE2 3.21Å; S839-H845 PolarHBondContact OG-NE2 3.38Å; S839-I868 PolarHBondContact N-O 2.93Å; S839-I868 VanDerWaalsContact N-O 3.14Å; S839-I868 PolarHBondContact O-N 3.21Å | ||
| 840 | H | 93.4 | Very high | 90.4 | Very high | 41 Ų | 41 | 30.9 Ų | 30.9 | 19% | 0.19 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -11.5 | 164.7 | -80.4 | -118.3 | 0 | 0 | 0 | 112.8 | A821 K842 V869 | A821-H840 HydrophobicContact CB-CB 4.18Å; A821-H840 VanDerWaalsContact O-CB 3.28Å; A821-H840 WeakPolarHBondContact O-CB 3.39Å; A821-H840 PolarHBondContact O-CD2 2.92Å; A821-H840 PolarHBondContact O-N 2.95Å; H840-K842 PolarHBondContact O-N 2.66Å; H840-K842 VanDerWaalsContact O-N 3.12Å; H840-V869 WeakPolarHBondContact NE2-CG1 3.48Å |
| 841 | G | 90.9 | Very high | 90 | Very high | 22 Ų | 22 | 30.6 Ų | 30.6 | 23% | 0.227 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 2.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S839 L843 | S839-G841 PolarHBondContact O-N 3.07Å; S839-G841 PolarHBondContact OG-N 2.65Å; G841-L843 VanDerWaalsContact C-N 3.28Å; G841-L843 PolarHBondContact O-N 2.95Å |
| 842 | K | 93.3 | Very high | 90 | Very high | 113 Ų | 113 | 28.7 Ų | 28.7 | 49% | 0.491 | 14% | 0.142 | S | C | . | . | S | Bend | trans | 66 | 26.8 | -177.9 | -49.9 | 161.3 | 164.8 | -168 | 0 | 113.9 | S839 H840 G865 T866 P867 | S839-K842 PolarHBondContact O-N 3.5Å; H840-K842 PolarHBondContact O-N 2.66Å; H840-K842 VanDerWaalsContact O-N 3.12Å; K842-G865 VanDerWaalsContact CD-O 3.23Å; K842-G865 WeakPolarHBondContact CD-O 3.5Å; K842-G865 WeakPolarHBondContact CG-O 3.39Å; K842-T866 WeakPolarHBondContact CA-O 3.48Å; K842-P867 HydrophobicContact CG-CG 4.47Å |
| 843 | L | 93.9 | Very high | 89.3 | Confident | 47 Ų | 47 | 33 Ų | 33 | 25% | 0.246 | 17% | 0.17 | C | C | . | . | trans | -129.6 | 140.8 | -178.1 | -65.9 | 176.5 | 0 | 0 | 0 | 110.3 | S839 G841 H845 N861 | S839-L843 PolarHBondContact N-O 2.8Å; S839-L843 PolarHBondContact OG-O 2.86Å; G841-L843 VanDerWaalsContact C-N 3.28Å; G841-L843 PolarHBondContact O-N 2.95Å; L843-H845 WeakPolarHBondContact CB-NE2 3.27Å; L843-H845 WeakPolarHBondContact CD1-CE1 3.36Å; L843-H845 PolarHBondContact O-CD2 2.71Å; L843-H845 PolarHBondContact O-NE2 2.77Å; L843-N861 WeakPolarHBondContact CA-O 3.27Å | ||
| 844 | V | 94.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 130.7 | 157.3 | -176.2 | 0 | 0 | 0 | 0 | 107.5 | C837 W859 T860 N861 F863 I868 V872 I887 | C837-V844 CarbonylContact O-C 3.6Å; C837-V844 WeakPolarHBondContact O-CA 3.45Å; V844-W859 HydrophobicContact CG1-CH2 4.39Å; V844-W859 HydrophobicContact CG1-CZ3 4.11Å; V844-T860 CarbonylContact O-C 3.58Å; V844-T860 VanDerWaalsContact O-CA 3.27Å; V844-T860 WeakPolarHBondContact O-CA 3.07Å; V844-N861 PolarHBondContact N-O 2.87Å; V844-N861 PolarHBondContact O-N 3.27Å; V844-F863 HydrophobicContact CG2-CB 4.45Å; V844-I868 HydrophobicContact CG2-CG1 3.92Å; V844-I868 HydrophobicContact CG2-CG2 4.35Å; V844-V872 HydrophobicContact CG1-CG2 4.4Å; V844-I887 HydrophobicContact CG1-CD1 4.32Å; V844-I887 HydrophobicContact CG2-CD1 4.07Å; V844-I887 HydrophobicContact CG2-CG1 4.26Å; V844-I887 HydrophobicContact CG2-CG2 3.81Å |
| 845 | H | 95.4 | Very high | 88.1 | Confident | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.028 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 139.8 | -178.9 | -51.6 | -100.1 | 0 | 0 | 0 | 110.4 | Y816 T818 A836 C837 S839 L843 I847 T860 | Y816-H845 HydrophobicContact CE1-CB 4.48Å; Y816-H845 AromaticContact CE1-ND1 3.72Å; Y816-H845 AromaticContact CZ-ND1 3.93Å; Y816-H845 PolarHBondContact OH-CE1 3.11Å; Y816-H845 PolarHBondContact OH-ND1 3.39Å; T818-H845 VanDerWaalsContact C-CE1 3.44Å; T818-H845 WeakPolarHBondContact CB-NE2 3.37Å; T818-H845 PolarHBondContact O-CE1 2.63Å; T818-H845 PolarHBondContact O-NE2 3.37Å; A836-H845 WeakPolarHBondContact CA-O 3.39Å; C837-H845 PolarHBondContact N-O 3.06Å; C837-H845 PolarHBondContact O-N 3.1Å; S839-H845 WeakPolarHBondContact CB-NE2 3.21Å; S839-H845 PolarHBondContact OG-NE2 3.38Å; L843-H845 WeakPolarHBondContact CB-NE2 3.27Å; L843-H845 WeakPolarHBondContact CD1-CE1 3.36Å; L843-H845 PolarHBondContact O-CD2 2.71Å; L843-H845 PolarHBondContact O-NE2 2.77Å; H845-I847 HydrophobicContact CB-CD1 4.43Å; H845-I847 HydrophobicContact CB-CG1 4.09Å; H845-T860 WeakPolarHBondContact ND1-CG2 3.43Å |
| 846 | A | 94.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 107 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | F834 L835 P857 I858 W859 | F834-A846 HydrophobicContact CD2-CB 3.45Å; F834-A846 VanDerWaalsContact CD2-CB 3.45Å; F834-A846 HydrophobicContact CE2-CB 3.46Å; F834-A846 VanDerWaalsContact CE2-CB 3.46Å; F834-A846 HydrophobicContact CG-CB 4.09Å; F834-A846 HydrophobicContact CZ-CB 4.11Å; L835-A846 CarbonylContact O-C 3.17Å; L835-A846 WeakPolarHBondContact O-CA 3.29Å; A846-P857 CarbonylContact O-C 3.57Å; A846-P857 VanDerWaalsContact O-CA 3.22Å; A846-P857 WeakPolarHBondContact O-CA 3.41Å; A846-I858 PolarHBondContact O-N 3.01Å; A846-W859 HydrophobicContact CB-CD2 3.54Å; A846-W859 HydrophobicContact CB-CE3 3.97Å; A846-W859 HydrophobicContact CB-CG 4.07Å; A846-W859 HydrophobicContact CB-CH2 3.93Å; A846-W859 HydrophobicContact CB-CZ2 3.54Å; A846-W859 HydrophobicContact CB-CZ3 4.14Å; A846-W859 PolarHBondContact N-O 2.91Å; A846-W859 VanDerWaalsContact N-O 3.08Å |
| 847 | I | 93 | Very high | 87.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 127.4 | -171.5 | -56.4 | 166.4 | 0 | 0 | 0 | 110 | I802 Y816 F834 L835 H845 L849 M855 | I802-I847 HydrophobicContact CD1-CD1 3.82Å; Y816-I847 HydrophobicContact CD1-CD1 3.46Å; Y816-I847 VanDerWaalsContact CD1-CD1 3.46Å; Y816-I847 HydrophobicContact CD1-CG1 3.93Å; Y816-I847 HydrophobicContact CE1-CD1 3.93Å; Y816-I847 HydrophobicContact CE1-CG1 4.1Å; Y816-I847 HydrophobicContact CG-CD1 4.35Å; F834-I847 WeakPolarHBondContact CA-O 3.42Å; F834-I847 WeakPolarHBondContact CB-O 3.49Å; L835-I847 PolarHBondContact N-O 3.17Å; L835-I847 PolarHBondContact O-N 3.35Å; H845-I847 HydrophobicContact CB-CD1 4.43Å; H845-I847 HydrophobicContact CB-CG1 4.09Å; I847-L849 HydrophobicContact CG2-CD2 4.3Å; I847-L849 PolarHBondContact O-N 2.76Å; I847-M855 HydrophobicContact CG2-CB 4.28Å; I847-M855 HydrophobicContact CG2-CG 4.34Å; I847-M855 HydrophobicContact CG2-SD 3.8Å |
| 848 | D | 89.4 | Confident | 87.1 | Confident | 34 Ų | 34 | 49.2 Ų | 49.2 | 18% | 0.182 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 115.5 | 175 | -164.6 | -21 | 0 | 0 | 0 | 110.7 | R850 K856 I858 | D848-R850 WeakPolarHBondContact OD1-CB 3.48Å; D848-R850 VanDerWaalsContact OD1-CG 3.3Å; D848-R850 WeakPolarHBondContact OD1-CG 3.3Å; D848-R850 IonicContact OD1-CZ 2.66Å; D848-R850 PolarHBondContact OD1-N 3.34Å; D848-R850 IonicContact OD1-NE 2.7Å; D848-R850 PolarHBondContact OD1-NE 2.89Å; D848-R850 IonicContact OD1-NH2 3.62Å; D848-R850 IonicContact OD2-CZ 2.62Å; D848-R850 IonicContact OD2-NE 2.95Å; D848-R850 PolarHBondContact OD2-NE 2.86Å; D848-R850 IonicContact OD2-NH2 3.91Å; D848-R850 PolarHBondContact OD2-NH2 3.34Å; D848-K856 PolarHBondContact N-O 2.84Å; D848-I858 HydrophobicContact CB-CD1 4.07Å; D848-I858 HydrophobicContact CB-CG1 3.86Å |
| 849 | L | 85.6 | Confident | 87 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | trans | -88.4 | -11 | 177.8 | -60.4 | -173.1 | 0 | 0 | 0 | 113 | F786 A787 V794 Y828 L835 I847 S851 L852 M855 | F786-L849 WeakPolarHBondContact O-CB 3.33Å; A787-L849 VanDerWaalsContact CB-O 3.3Å; A787-L849 WeakPolarHBondContact CB-O 3.49Å; V794-L849 HydrophobicContact CG2-CD1 4.07Å; Y828-L849 HydrophobicContact CD2-CD1 3.98Å; Y828-L849 HydrophobicContact CE2-CD1 3.89Å; Y828-L849 HydrophobicContact CE2-CG 4.42Å; L835-L849 HydrophobicContact CB-CD1 4.2Å; L835-L849 HydrophobicContact CB-CG 4.31Å; I847-L849 HydrophobicContact CG2-CD2 4.3Å; I847-L849 PolarHBondContact O-N 2.76Å; L849-S851 PolarHBondContact O-N 3.31Å; L849-L852 WeakPolarHBondContact O-CD2 3.49Å; L849-M855 HydrophobicContact CD2-SD 3.52Å; L849-M855 VanDerWaalsContact CD2-SD 3.52Å | ||
| 850 | R | 81.3 | Confident | 87.1 | Confident | 146 Ų | 146 | 53.8 Ų | 53.8 | 55% | 0.551 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -19.1 | -177.2 | -54.7 | 169.6 | -65.2 | -171 | 3 | 112.7 | D848 | D848-R850 WeakPolarHBondContact OD1-CB 3.48Å; D848-R850 VanDerWaalsContact OD1-CG 3.3Å; D848-R850 WeakPolarHBondContact OD1-CG 3.3Å; D848-R850 IonicContact OD1-CZ 2.66Å; D848-R850 PolarHBondContact OD1-N 3.34Å; D848-R850 IonicContact OD1-NE 2.7Å; D848-R850 PolarHBondContact OD1-NE 2.89Å; D848-R850 IonicContact OD1-NH2 3.62Å; D848-R850 IonicContact OD2-CZ 2.62Å; D848-R850 IonicContact OD2-NE 2.95Å; D848-R850 PolarHBondContact OD2-NE 2.86Å; D848-R850 IonicContact OD2-NH2 3.91Å; D848-R850 PolarHBondContact OD2-NH2 3.34Å |
| 851 | S | 74.6 | Confident | 87.1 | Confident | 62 Ų | 62 | 52.6 Ų | 52.6 | 43% | 0.434 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | 64.1 | 179 | 177 | 0 | 0 | 0 | 0 | 111.4 | L849 N853 N854 M855 | L849-S851 PolarHBondContact O-N 3.31Å; S851-N853 PolarHBondContact O-N 2.7Å; S851-N853 VanDerWaalsContact O-N 3.13Å; S851-N854 CarbonylContact O-C 3.37Å; S851-N854 VanDerWaalsContact O-C 3.28Å; S851-N854 PolarHBondContact O-N 3.3Å; S851-M855 PolarHBondContact O-N 2.87Å |
| 852 | L | 79.3 | Confident | 87.1 | Confident | 36 Ų | 36 | 55 Ų | 55 | 19% | 0.188 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -46.9 | -43.4 | -177.7 | -62.2 | 171.1 | 0 | 0 | 0 | 113.6 | A787 V792 L813 C814 L849 N854 | A787-L852 HydrophobicContact CB-CD1 3.79Å; A787-L852 HydrophobicContact CB-CD2 4.15Å; A787-L852 HydrophobicContact CB-CG 3.96Å; V792-L852 HydrophobicContact CG1-CD2 4.47Å; V792-L852 HydrophobicContact CG2-CD2 4.19Å; L813-L852 HydrophobicContact CB-CD1 4.27Å; L813-L852 HydrophobicContact CD1-CD1 4.07Å; C814-L852 HydrophobicContact CB-CB 4.27Å; C814-L852 HydrophobicContact CB-CD2 4.37Å; C814-L852 WeakPolarHBondContact CB-O 3.22Å; C814-L852 VanDerWaalsContact SG-CD2 3.57Å; L849-L852 WeakPolarHBondContact O-CD2 3.49Å; L852-N854 PolarHBondContact O-N 3.32Å |
| 853 | N | 71.3 | Confident | 87.1 | Confident | 165 Ų | 165 | 50.4 Ų | 50.4 | 88% | 0.882 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -59.6 | -12.3 | 179.1 | -64.1 | -7.1 | 0 | 0 | 0 | 114.7 | S851 | S851-N853 PolarHBondContact O-N 2.7Å; S851-N853 VanDerWaalsContact O-N 3.13Å |
| 854 | N | 70.5 | Confident | 86.9 | Confident | 94 Ų | 94 | 50.3 Ų | 50.3 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -155.6 | 53.6 | -176 | -162.4 | 3.8 | 0 | 0 | 0 | 111 | S851 L852 K856 | S851-N854 CarbonylContact O-C 3.37Å; S851-N854 VanDerWaalsContact O-C 3.28Å; S851-N854 PolarHBondContact O-N 3.3Å; L852-N854 PolarHBondContact O-N 3.32Å; N854-K856 PolarHBondContact O-N 2.89Å; N854-K856 VanDerWaalsContact O-N 3.13Å; N854-K856 VanDerWaalsContact OD1-CE 3.26Å; N854-K856 WeakPolarHBondContact OD1-CE 2.87Å |
| 855 | M | 78.4 | Confident | 86.7 | Confident | 14 Ų | 14 | 52.1 Ų | 52.1 | 7% | 0.069 | 28% | 0.281 | C | S | . | . | trans | -54.5 | 120.7 | 177.7 | -82.5 | -152.7 | -53.6 | 0 | 0 | 111.1 | C814 I847 L849 S851 | C814-M855 HydrophobicContact CB-CE 3.8Å; C814-M855 HydrophobicContact CB-CG 3.84Å; C814-M855 HydrophobicContact CB-SD 4.11Å; C814-M855 WeakPolarHBondContact SG-CE 3.31Å; C814-M855 PolarHBondContact SG-SD 2.79Å; I847-M855 HydrophobicContact CG2-CB 4.28Å; I847-M855 HydrophobicContact CG2-CG 4.34Å; I847-M855 HydrophobicContact CG2-SD 3.8Å; L849-M855 HydrophobicContact CD2-SD 3.52Å; L849-M855 VanDerWaalsContact CD2-SD 3.52Å; S851-M855 PolarHBondContact O-N 2.87Å | ||
| 856 | K | 79.1 | Confident | 86.5 | Confident | 124 Ų | 124 | 53.4 Ų | 53.4 | 54% | 0.539 | 29% | 0.29 | S | S | . | . | trans | -135.4 | 155.3 | 178.5 | -77.5 | 179.8 | 176.2 | 178 | 0 | 109.5 | D848 N854 | D848-K856 PolarHBondContact N-O 2.84Å; N854-K856 PolarHBondContact O-N 2.89Å; N854-K856 VanDerWaalsContact O-N 3.13Å; N854-K856 VanDerWaalsContact OD1-CE 3.26Å; N854-K856 WeakPolarHBondContact OD1-CE 2.87Å | ||
| 857 | P | 89.5 | Confident | 86.4 | Confident | 45 Ų | 45 | 54.4 Ų | 54.4 | 29% | 0.292 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 134 | 168.1 | 31.5 | -32.7 | 0 | 0 | 0 | 108.9 | Y816 A846 W859 T860 | Y816-P857 HydrophobicContact CE2-CG 4.37Å; A846-P857 CarbonylContact O-C 3.57Å; A846-P857 VanDerWaalsContact O-CA 3.22Å; A846-P857 WeakPolarHBondContact O-CA 3.41Å; P857-W859 VanDerWaalsContact C-N 3.26Å; P857-T860 HydrophobicContact CB-CG2 3.71Å; P857-T860 HydrophobicContact CG-CG2 3.98Å |
| 858 | I | 91.2 | Very high | 86.4 | Confident | 83 Ų | 83 | 54.5 Ų | 54.5 | 43% | 0.426 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | -41.5 | 161.6 | -54.9 | -178.9 | 0 | 0 | 0 | 108.4 | F834 A846 D848 | F834-I858 HydrophobicContact CB-CD1 3.61Å; F834-I858 HydrophobicContact CD1-CD1 4.02Å; F834-I858 HydrophobicContact CG-CD1 4.09Å; A846-I858 PolarHBondContact O-N 3.01Å; D848-I858 HydrophobicContact CB-CD1 4.07Å; D848-I858 HydrophobicContact CB-CG1 3.86Å |
| 859 | W | 94.1 | Very high | 86.5 | Confident | 30 Ų | 30 | 53.4 Ų | 53.4 | 11% | 0.114 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 163.2 | 172.6 | 52.8 | -106.9 | 0 | 0 | 0 | 111.3 | F834 V844 A846 P857 N861 L885 L897 P899 P902 | F834-W859 HydrophobicContact CE2-CZ2 4.22Å; F834-W859 HydrophobicContact CZ-CZ2 4.07Å; V844-W859 HydrophobicContact CG1-CH2 4.39Å; V844-W859 HydrophobicContact CG1-CZ3 4.11Å; A846-W859 HydrophobicContact CB-CD2 3.54Å; A846-W859 HydrophobicContact CB-CE3 3.97Å; A846-W859 HydrophobicContact CB-CG 4.07Å; A846-W859 HydrophobicContact CB-CH2 3.93Å; A846-W859 HydrophobicContact CB-CZ2 3.54Å; A846-W859 HydrophobicContact CB-CZ3 4.14Å; A846-W859 PolarHBondContact N-O 2.91Å; A846-W859 VanDerWaalsContact N-O 3.08Å; P857-W859 VanDerWaalsContact C-N 3.26Å; W859-N861 HydrophobicContact CE3-CB 4.41Å; W859-N861 HydrophobicContact CZ3-CB 4.22Å; W859-L885 HydrophobicContact CH2-CD1 3.69Å; W859-L885 HydrophobicContact CZ2-CD1 3.86Å; W859-L897 HydrophobicContact CH2-CD1 4.47Å; W859-L897 HydrophobicContact CH2-CD2 3.61Å; W859-L897 HydrophobicContact CZ2-CD2 3.85Å; W859-L897 HydrophobicContact CZ3-CD1 4.49Å; W859-L897 HydrophobicContact CZ3-CD2 4.35Å; W859-P899 HydrophobicContact CZ2-CB 4.14Å; W859-P899 PolarHBondContact NE1-O 3.31Å; W859-P902 HydrophobicContact CB-CB 4.12Å; W859-P902 HydrophobicContact CB-CG 3.85Å; W859-P902 HydrophobicContact CD2-CB 3.39Å; W859-P902 HydrophobicContact CD2-CG 3.97Å; W859-P902 HydrophobicContact CE3-CB 3.77Å; W859-P902 HydrophobicContact CG-CB 3.57Å; W859-P902 HydrophobicContact CG-CG 3.55Å; W859-P902 HydrophobicContact CZ2-CB 4.27Å; W859-P902 HydrophobicContact CZ3-CB 4.38Å |
| 860 | T | 94.6 | Very high | 86.7 | Confident | 67 Ų | 67 | 53.3 Ų | 53.3 | 41% | 0.411 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 136.7 | 170.1 | 58.3 | 0 | 0 | 0 | 0 | 110.1 | V844 H845 P857 | V844-T860 CarbonylContact O-C 3.58Å; V844-T860 VanDerWaalsContact O-CA 3.27Å; V844-T860 WeakPolarHBondContact O-CA 3.07Å; H845-T860 WeakPolarHBondContact ND1-CG2 3.43Å; P857-T860 HydrophobicContact CB-CG2 3.71Å; P857-T860 HydrophobicContact CG-CG2 3.98Å |
| 861 | N | 94.4 | Very high | 87.2 | Confident | 16 Ų | 16 | 47 Ų | 47 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 133.4 | 176.6 | 178.2 | -77.1 | 0 | 0 | 0 | 109.7 | L843 V844 W859 F863 L897 P902 | L843-N861 WeakPolarHBondContact CA-O 3.27Å; V844-N861 PolarHBondContact N-O 2.87Å; V844-N861 PolarHBondContact O-N 3.27Å; W859-N861 HydrophobicContact CE3-CB 4.41Å; W859-N861 HydrophobicContact CZ3-CB 4.22Å; N861-F863 VanDerWaalsContact C-N 3.32Å; N861-F863 WeakPolarHBondContact OD1-CA 3.36Å; N861-F863 PolarHBondContact OD1-N 3.5Å; N861-L897 HydrophobicContact CB-CD1 3.78Å; N861-P902 PolarHBondContact ND2-O 3.34Å |
| 862 | S | 91.9 | Very high | 88.1 | Confident | 72 Ų | 72 | 44.1 Ų | 44.1 | 50% | 0.503 | 25% | 0.248 | S | C | . | . | trans | -82.7 | -5.8 | -178 | 57.1 | 0 | 0 | 0 | 0 | 114.8 | D864 G865 | S862-D864 PolarHBondContact O-N 2.86Å; S862-G865 PolarHBondContact O-N 2.86Å | ||
| 863 | F | 93 | Very high | 88.7 | Confident | 17 Ų | 17 | 43.1 Ų | 43.1 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | -100 | 179.3 | -166 | -113.4 | 0 | 0 | 0 | 113.4 | V844 N861 I868 I887 T893 L905 M908 | V844-F863 HydrophobicContact CG2-CB 4.45Å; N861-F863 VanDerWaalsContact C-N 3.32Å; N861-F863 WeakPolarHBondContact OD1-CA 3.36Å; N861-F863 PolarHBondContact OD1-N 3.5Å; F863-I868 HydrophobicContact CB-CD1 4.08Å; F863-I868 HydrophobicContact CD1-CD1 3.65Å; F863-I868 HydrophobicContact CE1-CD1 4.43Å; F863-I868 HydrophobicContact CG-CD1 4.15Å; F863-I887 HydrophobicContact CD1-CG2 3.97Å; F863-I887 HydrophobicContact CD2-CB 4.11Å; F863-I887 HydrophobicContact CD2-CD1 4.21Å; F863-I887 HydrophobicContact CD2-CG2 3.71Å; F863-I887 HydrophobicContact CE1-CG2 3.89Å; F863-I887 HydrophobicContact CE2-CB 3.69Å; F863-I887 HydrophobicContact CE2-CD1 4.33Å; F863-I887 HydrophobicContact CE2-CG2 3.65Å; F863-I887 HydrophobicContact CG-CG2 3.87Å; F863-I887 HydrophobicContact CZ-CB 3.96Å; F863-I887 HydrophobicContact CZ-CG2 3.73Å; F863-I887 WeakPolarHBondContact CZ-O 3.35Å; F863-T893 HydrophobicContact CE1-CG2 3.8Å; F863-T893 HydrophobicContact CZ-CG2 3.94Å; F863-L905 HydrophobicContact CD2-CD1 4.05Å; F863-L905 HydrophobicContact CD2-CD2 4.21Å; F863-L905 HydrophobicContact CE2-CD1 4.22Å; F863-L905 HydrophobicContact CE2-CD2 4.31Å; F863-M908 WeakPolarHBondContact O-CE 3.29Å |
| 864 | D | 89.7 | Confident | 89.5 | Confident | 45 Ų | 45 | 36 Ų | 36 | 24% | 0.241 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 8.4 | 176.5 | 70.9 | -9.2 | 0 | 0 | 0 | 113.7 | S862 T866 S889 T893 | S862-D864 PolarHBondContact O-N 2.86Å; D864-T866 VanDerWaalsContact C-N 3.3Å; D864-T866 VanDerWaalsContact CG-OG1 3.26Å; D864-T866 PolarHBondContact O-N 2.98Å; D864-T866 WeakPolarHBondContact OD1-CB 3.26Å; D864-T866 PolarHBondContact OD1-N 3.41Å; D864-T866 PolarHBondContact OD1-OG1 3.08Å; D864-T866 PolarHBondContact OD2-OG1 3.03Å; D864-S889 WeakPolarHBondContact OD2-CB 3.37Å; D864-S889 PolarHBondContact OD2-OG 2.65Å; D864-T893 HydrophobicContact CB-CG2 4.21Å; D864-T893 WeakPolarHBondContact OD2-CB 3.37Å; D864-T893 PolarHBondContact OD2-OG1 2.61Å |
| 865 | G | 89.4 | Confident | 90.2 | Very high | 37 Ų | 37 | 31.6 Ų | 31.6 | 38% | 0.381 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 77.2 | 9.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K842 S862 | K842-G865 VanDerWaalsContact CD-O 3.23Å; K842-G865 WeakPolarHBondContact CD-O 3.5Å; K842-G865 WeakPolarHBondContact CG-O 3.39Å; S862-G865 PolarHBondContact O-N 2.86Å |
| 866 | T | 91.2 | Very high | 90 | Very high | 34 Ų | 34 | 33.5 Ų | 33.5 | 21% | 0.209 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -111.3 | 161 | 178 | 78.5 | 0 | 0 | 0 | 0 | 112.3 | K842 D864 I868 S889 G891 | K842-T866 WeakPolarHBondContact CA-O 3.48Å; D864-T866 VanDerWaalsContact C-N 3.3Å; D864-T866 VanDerWaalsContact CG-OG1 3.26Å; D864-T866 PolarHBondContact O-N 2.98Å; D864-T866 WeakPolarHBondContact OD1-CB 3.26Å; D864-T866 PolarHBondContact OD1-N 3.41Å; D864-T866 PolarHBondContact OD1-OG1 3.08Å; D864-T866 PolarHBondContact OD2-OG1 3.03Å; T866-I868 PolarHBondContact O-N 2.79Å; T866-S889 VanDerWaalsContact OG1-CB 3.25Å; T866-S889 WeakPolarHBondContact OG1-CB 3.38Å; T866-S889 PolarHBondContact OG1-OG 3.1Å; T866-G891 PolarHBondContact OG1-N 3.22Å |
| 867 | P | 92.5 | Very high | 89.4 | Confident | 21 Ų | 21 | 30.9 Ų | 30.9 | 14% | 0.136 | 18% | 0.18 | C | C | . | . | trans | -55.6 | 136.5 | 177 | -29.8 | 38.4 | 0 | 0 | 0 | 113.5 | L613 K842 V869 L890 | L613-P867 HydrophobicContact CD2-CG 4.33Å; K842-P867 HydrophobicContact CG-CG 4.47Å; P867-V869 HydrophobicContact CB-CG1 4.3Å; P867-L890 HydrophobicContact CB-CB 4.32Å; P867-L890 HydrophobicContact CB-CD1 3.75Å; P867-L890 HydrophobicContact CB-CG 4.09Å; P867-L890 HydrophobicContact CG-CD1 4.13Å; P867-L890 PolarHBondContact O-N 3.1Å | ||
| 868 | I | 93.5 | Very high | 87.9 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | trans | -101.9 | 101.4 | 175.4 | -48.8 | -57.8 | 0 | 0 | 0 | 107.8 | G838 S839 V844 F863 T866 V872 I887 | G838-I868 CarbonylContact C-O 3.53Å; S839-I868 PolarHBondContact N-O 2.93Å; S839-I868 VanDerWaalsContact N-O 3.14Å; S839-I868 PolarHBondContact O-N 3.21Å; V844-I868 HydrophobicContact CG2-CG1 3.92Å; V844-I868 HydrophobicContact CG2-CG2 4.35Å; F863-I868 HydrophobicContact CB-CD1 4.08Å; F863-I868 HydrophobicContact CD1-CD1 3.65Å; F863-I868 HydrophobicContact CE1-CD1 4.43Å; F863-I868 HydrophobicContact CG-CD1 4.15Å; T866-I868 PolarHBondContact O-N 2.79Å; I868-V872 HydrophobicContact CG2-CG2 4.31Å; I868-I887 HydrophobicContact CD1-CG2 4.18Å; I868-I887 HydrophobicContact CG2-CG2 4.07Å | ||
| 869 | V | 90.4 | Very high | 86 | Confident | 11 Ų | 11 | 35.6 Ų | 35.6 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | trans | -111.8 | -19.8 | -178.8 | -51.9 | 0 | 0 | 0 | 0 | 113.5 | S824 H840 P867 L890 F916 | S824-V869 VanDerWaalsContact CB-O 3.27Å; S824-V869 WeakPolarHBondContact CB-O 3.5Å; S824-V869 PolarHBondContact OG-O 3.2Å; H840-V869 WeakPolarHBondContact NE2-CG1 3.48Å; P867-V869 HydrophobicContact CB-CG1 4.3Å; V869-L890 HydrophobicContact CG1-CD1 3.93Å; V869-L890 HydrophobicContact CG1-CD2 4.37Å; V869-L890 HydrophobicContact CG1-CG 3.96Å; V869-L890 HydrophobicContact CG2-CD1 4.48Å; V869-L890 HydrophobicContact CG2-CD2 3.45Å; V869-L890 VanDerWaalsContact CG2-CD2 3.45Å; V869-L890 HydrophobicContact CG2-CG 3.83Å; V869-F916 HydrophobicContact CG2-CD1 3.77Å; V869-F916 HydrophobicContact CG2-CE1 4.05Å; V869-F916 HydrophobicContact CG2-CG 4.08Å | ||
| 870 | S | 91 | Very high | 83.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -67.6 | 141.8 | 170 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | S824 V872 S917 P919 | S824-S870 PolarHBondContact OG-O 2.87Å; S870-V872 PolarHBondContact O-N 2.74Å; S870-S917 PolarHBondContact OG-O 2.89Å; S870-P919 WeakPolarHBondContact OG-CD 3.43Å |
| 871 | P | 92.7 | Very high | 82.3 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 126.6 | 171.7 | -23.5 | 33.1 | 0 | 0 | 0 | 111.9 | P825 K918 | P825-P871 HydrophobicContact CG-CB 4.42Å; P825-P871 HydrophobicContact CG-CG 4.39Å; P871-K918 HydrophobicContact CB-CB 4.36Å; P871-K918 HydrophobicContact CB-CG 4.19Å; P871-K918 HydrophobicContact CG-CB 3.96Å; P871-K918 HydrophobicContact CG-CG 4.29Å |
| 872 | V | 93.2 | Very high | 81.3 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -72.5 | 134.6 | 173.3 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | S827 A836 V844 I868 S870 L885 I886 I887 | S827-V872 VanDerWaalsContact CB-O 3.3Å; S827-V872 WeakPolarHBondContact CB-O 3.38Å; S827-V872 PolarHBondContact OG-O 3.21Å; A836-V872 HydrophobicContact CB-CG1 4.09Å; V844-V872 HydrophobicContact CG1-CG2 4.4Å; I868-V872 HydrophobicContact CG2-CG2 4.31Å; S870-V872 PolarHBondContact O-N 2.74Å; V872-L885 HydrophobicContact CG1-CB 4.18Å; V872-L885 HydrophobicContact CG1-CD2 4.33Å; V872-I886 WeakPolarHBondContact CA-O 3.48Å; V872-I887 HydrophobicContact CG1-CG1 4.02Å; V872-I887 HydrophobicContact CG2-CG1 4.31Å |
| 873 | I | 91.2 | Very high | 81 | Confident | 16 Ų | 16 | 36.7 Ų | 36.7 | 8% | 0.082 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 139.6 | -174.1 | -54.1 | -170.4 | 0 | 0 | 0 | 112.1 | L885 I886 K918 P919 L921 | I873-L885 WeakPolarHBondContact O-CA 3.38Å; I873-I886 PolarHBondContact N-O 3.02Å; I873-I886 PolarHBondContact O-N 3.13Å; I873-K918 HydrophobicContact CD1-CD 4.33Å; I873-K918 HydrophobicContact CD1-CG 3.48Å; I873-K918 VanDerWaalsContact CD1-CG 3.48Å; I873-K918 HydrophobicContact CG1-CG 4.28Å; I873-P919 HydrophobicContact CD1-CB 3.79Å; I873-P919 HydrophobicContact CD1-CG 4.03Å; I873-P919 WeakPolarHBondContact CD1-O 3.48Å; I873-P919 HydrophobicContact CG1-CG 4.37Å; I873-L921 HydrophobicContact CG2-CD1 3.96Å; I873-L921 HydrophobicContact CG2-CG 4.4Å |
| 874 | V | 88.5 | Confident | 80.9 | Confident | 15 Ų | 15 | 37.6 Ų | 37.6 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 123.4 | 170.1 | -166.1 | 0 | 0 | 0 | 0 | 109.9 | V829 Y876 P883 Y884 L885 | V829-V874 HydrophobicContact CG1-CG1 4.44Å; V829-V874 HydrophobicContact CG2-CG2 3.89Å; V874-Y876 HydrophobicContact CB-CE2 4.49Å; V874-Y876 HydrophobicContact CG1-CE2 3.72Å; V874-P883 HydrophobicContact CG1-CB 3.43Å; V874-P883 VanDerWaalsContact CG1-CB 3.43Å; V874-Y884 WeakPolarHBondContact CA-O 3.44Å; V874-L885 HydrophobicContact CG2-CD2 3.97Å |
| 875 | S | 84.1 | Confident | 81 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 143.4 | 177.8 | -163.6 | 0 | 0 | 0 | 0 | 111 | P883 Y884 L921 L945 | S875-P883 CarbonylContact O-C 3.36Å; S875-P883 WeakPolarHBondContact O-CA 3.1Å; S875-Y884 PolarHBondContact N-O 3.23Å; S875-Y884 PolarHBondContact O-N 2.68Å; S875-L921 WeakPolarHBondContact OG-CD1 3.38Å; S875-L921 WeakPolarHBondContact OG-CD2 3.46Å; S875-L945 WeakPolarHBondContact OG-CD2 3.02Å |
| 876 | Y | 75.7 | Confident | 81.2 | Confident | 55 Ų | 55 | 33.7 Ų | 33.7 | 22% | 0.216 | 18% | 0.184 | C | C | . | . | trans | -122.1 | 133.7 | 177.6 | -57.4 | -98 | 0 | 0 | 0 | 108 | Y692 D831 V874 P883 | Y692-Y876 HydrophobicContact CE2-CE1 4.48Å; D831-Y876 WeakPolarHBondContact OD2-CE1 3.41Å; V874-Y876 HydrophobicContact CB-CE2 4.49Å; V874-Y876 HydrophobicContact CG1-CE2 3.72Å; Y876-P883 HydrophobicContact CD1-CB 4.08Å; Y876-P883 HydrophobicContact CE1-CB 3.64Å; Y876-P883 HydrophobicContact CE1-CG 4.08Å | ||
| 877 | M | 65.5 | Low | 81.4 | Confident | 69 Ų | 69 | 32 Ų | 32 | 34% | 0.34 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -80.1 | -27 | 178.8 | -55.3 | -170.7 | 79.7 | 0 | 0 | 112.2 | S881 Y884 L945 V946 | M877-S881 PolarHBondContact N-OG 3.15Å; M877-Y884 HydrophobicContact CG-CD2 3.99Å; M877-Y884 HydrophobicContact CG-CE2 3.78Å; M877-Y884 HydrophobicContact SD-CD2 4.18Å; M877-Y884 HydrophobicContact SD-CE2 3.51Å; M877-Y884 VanDerWaalsContact SD-CE2 3.51Å; M877-L945 HydrophobicContact CG-CD2 3.85Å; M877-L945 HydrophobicContact CG-CG 4.48Å; M877-V946 HydrophobicContact CE-CB 4.1Å; M877-V946 HydrophobicContact CE-CG1 4.21Å; M877-V946 HydrophobicContact CE-CG2 3.72Å |
| 878 | S | 59 | Low | 81.5 | Confident | 51 Ų | 51 | 31.1 Ų | 31.1 | 36% | 0.357 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -150.6 | 169.9 | 171.4 | 76.1 | 0 | 0 | 0 | 0 | 109.6 | T880 S881 | S878-T880 PolarHBondContact O-N 3.33Å; S878-T880 PolarHBondContact OG-N 3.48Å; S878-T880 PolarHBondContact OG-OG1 3.36Å; S878-S881 PolarHBondContact N-OG 3.03Å; S878-S881 PolarHBondContact O-N 3.23Å; S878-S881 PolarHBondContact O-OG 3.15Å; S878-S881 WeakPolarHBondContact OG-CB 3.3Å; S878-S881 PolarHBondContact OG-N 3.12Å; S878-S881 VanDerWaalsContact OG-N 3.17Å |
| 879 | Q | 50 | Low | 81.5 | Confident | 175 Ų | 175 | 31 Ų | 31 | 82% | 0.818 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -7 | 175.8 | -63.2 | -178.9 | -2.8 | 0 | 0 | 114.3 | ||
| 880 | T | 48.5 | Very low | 81.5 | Confident | 136 Ų | 136 | 31.4 Ų | 31.4 | 83% | 0.834 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.7 | 2.9 | 179 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | S878 | S878-T880 PolarHBondContact O-N 3.33Å; S878-T880 PolarHBondContact OG-N 3.48Å; S878-T880 PolarHBondContact OG-OG1 3.36Å |
| 881 | S | 63 | Low | 81.3 | Confident | 28 Ų | 28 | 32.5 Ų | 32.5 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -85.1 | 150 | -178 | 69.4 | 0 | 0 | 0 | 0 | 112.3 | M877 S878 | M877-S881 PolarHBondContact N-OG 3.15Å; S878-S881 PolarHBondContact N-OG 3.03Å; S878-S881 PolarHBondContact O-N 3.23Å; S878-S881 PolarHBondContact O-OG 3.15Å; S878-S881 WeakPolarHBondContact OG-CB 3.3Å; S878-S881 PolarHBondContact OG-N 3.12Å; S878-S881 VanDerWaalsContact OG-N 3.17Å |
| 882 | T | 73.6 | Confident | 81.1 | Confident | 43 Ų | 43 | 32.2 Ų | 32.2 | 26% | 0.264 | 18% | 0.18 | S | C | . | . | P | Polyproline II helix | trans | -63.4 | 140.6 | 170 | 47.9 | 0 | 0 | 0 | 0 | 112 | Y884 R900 | T882-Y884 WeakPolarHBondContact O-CD2 3.41Å; T882-Y884 WeakPolarHBondContact O-CE2 3.43Å; T882-R900 VanDerWaalsContact OG1-CZ 3.23Å; T882-R900 PolarHBondContact OG1-NH1 2.96Å; T882-R900 VanDerWaalsContact OG1-NH1 3.13Å; T882-R900 PolarHBondContact OG1-NH2 3.42Å |
| 883 | P | 85.8 | Confident | 81.1 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 143 | -179.9 | 23.9 | -31.3 | 0 | 0 | 0 | 112.4 | V829 D831 Y832 V874 S875 Y876 P899 | V829-P883 HydrophobicContact CG1-CB 4.34Å; V829-P883 HydrophobicContact CG1-CG 3.89Å; D831-P883 HydrophobicContact CB-CG 4.4Å; D831-P883 VanDerWaalsContact OD2-CD 3.32Å; D831-P883 WeakPolarHBondContact OD2-CD 3.23Å; D831-P883 WeakPolarHBondContact OD2-CG 3.48Å; Y832-P883 HydrophobicContact CD2-CG 4.17Å; Y832-P883 HydrophobicContact CE2-CG 3.77Å; V874-P883 HydrophobicContact CG1-CB 3.43Å; V874-P883 VanDerWaalsContact CG1-CB 3.43Å; S875-P883 CarbonylContact O-C 3.36Å; S875-P883 WeakPolarHBondContact O-CA 3.1Å; Y876-P883 HydrophobicContact CD1-CB 4.08Å; Y876-P883 HydrophobicContact CE1-CB 3.64Å; Y876-P883 HydrophobicContact CE1-CG 4.08Å; P883-P899 WeakPolarHBondContact O-CD 3.34Å; P883-P899 WeakPolarHBondContact O-CG 3.28Å |
| 884 | Y | 89.7 | Confident | 81.2 | Confident | 36 Ų | 36 | 32.1 Ų | 32.1 | 14% | 0.141 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 152.5 | 169.8 | -65.7 | -82.1 | 0 | 0 | 0 | 110.7 | V874 S875 M877 T882 D898 V906 | V874-Y884 WeakPolarHBondContact CA-O 3.44Å; S875-Y884 PolarHBondContact N-O 3.23Å; S875-Y884 PolarHBondContact O-N 2.68Å; M877-Y884 HydrophobicContact CG-CD2 3.99Å; M877-Y884 HydrophobicContact CG-CE2 3.78Å; M877-Y884 HydrophobicContact SD-CD2 4.18Å; M877-Y884 HydrophobicContact SD-CE2 3.51Å; M877-Y884 VanDerWaalsContact SD-CE2 3.51Å; T882-Y884 WeakPolarHBondContact O-CD2 3.41Å; T882-Y884 WeakPolarHBondContact O-CE2 3.43Å; Y884-D898 HydrophobicContact CD1-CB 4.24Å; Y884-D898 HydrophobicContact CE1-CB 4.13Å; Y884-V906 HydrophobicContact CD1-CG2 3.85Å; Y884-V906 HydrophobicContact CE1-CG2 3.79Å |
| 885 | L | 92.7 | Very high | 81.3 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 118.1 | 178.6 | -62.8 | 178.3 | 0 | 0 | 0 | 110.7 | V829 F834 A836 W859 V872 I873 V874 L897 P899 | V829-L885 HydrophobicContact CG2-CD2 4Å; F834-L885 HydrophobicContact CE2-CD1 4.36Å; F834-L885 HydrophobicContact CZ-CD1 4.45Å; A836-L885 HydrophobicContact CB-CD1 3.89Å; A836-L885 HydrophobicContact CB-CD2 3.93Å; W859-L885 HydrophobicContact CH2-CD1 3.69Å; W859-L885 HydrophobicContact CZ2-CD1 3.86Å; V872-L885 HydrophobicContact CG1-CB 4.18Å; V872-L885 HydrophobicContact CG1-CD2 4.33Å; I873-L885 WeakPolarHBondContact O-CA 3.38Å; V874-L885 HydrophobicContact CG2-CD2 3.97Å; L885-L897 HydrophobicContact CB-CB 4.31Å; L885-L897 HydrophobicContact CB-CD2 4.38Å; L885-L897 HydrophobicContact CD1-CD2 4.08Å; L885-L897 PolarHBondContact N-O 2.86Å; L885-L897 PolarHBondContact O-N 3.39Å; L885-P899 HydrophobicContact CD1-CB 4.25Å |
| 886 | I | 94.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 124.6 | 175.3 | -56.5 | -52.6 | 0 | 0 | 0 | 109 | V872 I873 I894 C896 P919 V931 L945 | V872-I886 WeakPolarHBondContact CA-O 3.48Å; I873-I886 PolarHBondContact N-O 3.02Å; I873-I886 PolarHBondContact O-N 3.13Å; I886-I894 HydrophobicContact CG2-CD1 4.23Å; I886-C896 HydrophobicContact CD1-CB 3.92Å; I886-P919 HydrophobicContact CG2-CB 4.02Å; I886-P919 HydrophobicContact CG2-CG 3.85Å; I886-V931 HydrophobicContact CD1-CG2 4.32Å; I886-V931 HydrophobicContact CG1-CG2 4.39Å; I886-V931 HydrophobicContact CG2-CG1 3.75Å; I886-L945 HydrophobicContact CD1-CD1 3.63Å; I886-L945 HydrophobicContact CG1-CD1 4.35Å |
| 887 | I | 94.8 | Very high | 82.6 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 135.6 | -170.5 | -59.5 | 151.4 | 0 | 0 | 0 | 108.6 | V844 F863 I868 V872 I894 G895 L897 | V844-I887 HydrophobicContact CG1-CD1 4.32Å; V844-I887 HydrophobicContact CG2-CD1 4.07Å; V844-I887 HydrophobicContact CG2-CG1 4.26Å; V844-I887 HydrophobicContact CG2-CG2 3.81Å; F863-I887 HydrophobicContact CD1-CG2 3.97Å; F863-I887 HydrophobicContact CD2-CB 4.11Å; F863-I887 HydrophobicContact CD2-CD1 4.21Å; F863-I887 HydrophobicContact CD2-CG2 3.71Å; F863-I887 HydrophobicContact CE1-CG2 3.89Å; F863-I887 HydrophobicContact CE2-CB 3.69Å; F863-I887 HydrophobicContact CE2-CD1 4.33Å; F863-I887 HydrophobicContact CE2-CG2 3.65Å; F863-I887 HydrophobicContact CG-CG2 3.87Å; F863-I887 HydrophobicContact CZ-CB 3.96Å; F863-I887 HydrophobicContact CZ-CG2 3.73Å; F863-I887 WeakPolarHBondContact CZ-O 3.35Å; I868-I887 HydrophobicContact CD1-CG2 4.18Å; I868-I887 HydrophobicContact CG2-CG2 4.07Å; V872-I887 HydrophobicContact CG1-CG1 4.02Å; V872-I887 HydrophobicContact CG2-CG1 4.31Å; I887-I894 WeakPolarHBondContact O-CA 3.45Å; I887-G895 PolarHBondContact N-O 2.87Å; I887-G895 VanDerWaalsContact N-O 3.1Å; I887-G895 PolarHBondContact O-N 3.47Å; I887-L897 HydrophobicContact CD1-CB 3.64Å; I887-L897 HydrophobicContact CD1-CD1 4.11Å; I887-L897 HydrophobicContact CD1-CG 4.43Å |
| 888 | A | 94.1 | Very high | 83.7 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 146.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | T893 V915 | A888-T893 VanDerWaalsContact CA-O 3.31Å; A888-T893 WeakPolarHBondContact CA-O 3.27Å; A888-V915 HydrophobicContact CB-CB 3.93Å; A888-V915 HydrophobicContact CB-CG1 3.69Å; A888-V915 HydrophobicContact CB-CG2 4.42Å |
| 889 | S | 93.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -120.9 | 167.7 | -167.3 | 76.6 | 0 | 0 | 0 | 0 | 114.9 | D864 T866 G891 G892 T893 V915 | D864-S889 WeakPolarHBondContact OD2-CB 3.37Å; D864-S889 PolarHBondContact OD2-OG 2.65Å; T866-S889 VanDerWaalsContact OG1-CB 3.25Å; T866-S889 WeakPolarHBondContact OG1-CB 3.38Å; T866-S889 PolarHBondContact OG1-OG 3.1Å; S889-G891 VanDerWaalsContact C-N 3.25Å; S889-G891 PolarHBondContact O-N 3.16Å; S889-G891 PolarHBondContact OG-N 3.01Å; S889-G891 VanDerWaalsContact OG-N 3.16Å; S889-G892 PolarHBondContact O-N 2.95Å; S889-G892 PolarHBondContact OG-N 2.71Å; S889-T893 PolarHBondContact N-O 2.86Å; S889-T893 PolarHBondContact OG-N 3.11Å; S889-T893 VanDerWaalsContact OG-N 3.12Å; S889-V915 PolarHBondContact O-N 3.38Å; S889-V915 VanDerWaalsContact O-N 3.09Å | ||
| 890 | L | 90.6 | Very high | 87 | Confident | 18 Ų | 18 | 22.4 Ų | 22.4 | 9% | 0.094 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -17.9 | 167.1 | -72.8 | -169.3 | 0 | 0 | 0 | 113.8 | L613 P867 V869 G892 P914 F916 | L613-L890 HydrophobicContact CD1-CD1 4.16Å; L613-L890 HydrophobicContact CD2-CD1 3.35Å; L613-L890 HydrophobicContact CG-CD1 4.4Å; P867-L890 HydrophobicContact CB-CB 4.32Å; P867-L890 HydrophobicContact CB-CD1 3.75Å; P867-L890 HydrophobicContact CB-CG 4.09Å; P867-L890 HydrophobicContact CG-CD1 4.13Å; P867-L890 PolarHBondContact O-N 3.1Å; V869-L890 HydrophobicContact CG1-CD1 3.93Å; V869-L890 HydrophobicContact CG1-CD2 4.37Å; V869-L890 HydrophobicContact CG1-CG 3.96Å; V869-L890 HydrophobicContact CG2-CD1 4.48Å; V869-L890 HydrophobicContact CG2-CD2 3.45Å; V869-L890 VanDerWaalsContact CG2-CD2 3.45Å; V869-L890 HydrophobicContact CG2-CG 3.83Å; L890-G892 PolarHBondContact O-N 3.45Å; L890-P914 HydrophobicContact CD2-CB 3.87Å; L890-P914 WeakPolarHBondContact O-CA 3.22Å; L890-P914 WeakPolarHBondContact O-CG 3.34Å; L890-F916 HydrophobicContact CD2-CD2 3.94Å; L890-F916 HydrophobicContact CD2-CE1 4.11Å; L890-F916 HydrophobicContact CD2-CE2 3.39Å; L890-F916 HydrophobicContact CD2-CZ 3.5Å; L890-F916 VanDerWaalsContact CD2-CZ 3.5Å |
| 891 | G | 88 | Confident | 88.9 | Confident | 23 Ų | 23 | 19.4 Ų | 19.4 | 24% | 0.237 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -18.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T866 S889 K912 | T866-G891 PolarHBondContact OG1-N 3.22Å; S889-G891 VanDerWaalsContact C-N 3.25Å; S889-G891 PolarHBondContact O-N 3.16Å; S889-G891 PolarHBondContact OG-N 3.01Å; S889-G891 VanDerWaalsContact OG-N 3.16Å; G891-K912 CarbonylContact O-C 3.6Å |
| 892 | G | 87.7 | Confident | 90.1 | Very high | 8 Ų | 8 | 19.5 Ų | 19.5 | 8% | 0.082 | 10% | 0.104 | C | C | . | . | trans | 87.7 | 5.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S889 L890 G911 M913 | S889-G892 PolarHBondContact O-N 2.95Å; S889-G892 PolarHBondContact OG-N 2.71Å; L890-G892 PolarHBondContact O-N 3.45Å; G892-G911 VanDerWaalsContact O-CA 3.23Å; G892-G911 WeakPolarHBondContact O-CA 3.48Å; G892-G911 PolarHBondContact O-N 2.96Å; G892-M913 WeakPolarHBondContact CA-O 3.33Å | ||
| 893 | T | 92 | Very high | 90.7 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 5% | 0.049 | 12% | 0.121 | C | C | . | . | trans | -71.5 | 138.6 | 175.6 | -51.5 | 0 | 0 | 0 | 0 | 109.5 | F863 D864 A888 S889 M908 R909 | F863-T893 HydrophobicContact CE1-CG2 3.8Å; F863-T893 HydrophobicContact CZ-CG2 3.94Å; D864-T893 HydrophobicContact CB-CG2 4.21Å; D864-T893 WeakPolarHBondContact OD2-CB 3.37Å; D864-T893 PolarHBondContact OD2-OG1 2.61Å; A888-T893 VanDerWaalsContact CA-O 3.31Å; A888-T893 WeakPolarHBondContact CA-O 3.27Å; S889-T893 PolarHBondContact N-O 2.86Å; S889-T893 PolarHBondContact OG-N 3.11Å; S889-T893 VanDerWaalsContact OG-N 3.12Å; T893-M908 HydrophobicContact CG2-CE 4.31Å; T893-M908 HydrophobicContact CG2-CG 3.37Å; T893-M908 HydrophobicContact CG2-SD 3.69Å; T893-R909 WeakPolarHBondContact CA-O 3.26Å | ||
| 894 | I | 93.3 | Very high | 90.6 | Very high | 6 Ų | 6 | 27.5 Ų | 27.5 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 145.2 | 163.2 | 174.6 | 167.3 | 0 | 0 | 0 | 109.6 | I886 I887 W907 M908 R909 V931 I933 F943 | I886-I894 HydrophobicContact CG2-CD1 4.23Å; I887-I894 WeakPolarHBondContact O-CA 3.45Å; I894-W907 HydrophobicContact CD1-CH2 4.02Å; I894-W907 HydrophobicContact CD1-CZ3 4.4Å; I894-W907 HydrophobicContact CG1-CH2 3.91Å; I894-W907 HydrophobicContact CG1-CZ3 3.87Å; I894-W907 HydrophobicContact CG2-CZ3 4.32Å; I894-M908 CarbonylContact O-C 3.53Å; I894-M908 WeakPolarHBondContact O-CA 3.27Å; I894-R909 HydrophobicContact CG2-CB 4.05Å; I894-R909 PolarHBondContact N-O 3.29Å; I894-R909 PolarHBondContact O-N 2.92Å; I894-V931 HydrophobicContact CD1-CG1 3.94Å; I894-I933 HydrophobicContact CD1-CD1 3.64Å; I894-I933 HydrophobicContact CD1-CG1 3.46Å; I894-I933 VanDerWaalsContact CD1-CG1 3.46Å; I894-F943 HydrophobicContact CD1-CD2 4.22Å; I894-F943 HydrophobicContact CD1-CE2 4.45Å; I894-F943 HydrophobicContact CG2-CD2 4.44Å; I894-F943 HydrophobicContact CG2-CE1 4.21Å; I894-F943 HydrophobicContact CG2-CE2 3.92Å; I894-F943 HydrophobicContact CG2-CZ 3.78Å |
| 895 | G | 92.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 166 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I887 W907 | I887-G895 PolarHBondContact N-O 2.87Å; I887-G895 VanDerWaalsContact N-O 3.1Å; I887-G895 PolarHBondContact O-N 3.47Å; G895-W907 CarbonylContact C-O 3.6Å; G895-W907 WeakPolarHBondContact CA-O 3.32Å |
| 896 | C | 93 | Very high | 90.3 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.6 | 173.2 | 177.4 | 0 | 0 | 0 | 0 | 108.6 | I886 L905 V906 W907 | I886-C896 HydrophobicContact CD1-CB 3.92Å; C896-L905 CarbonylContact O-C 3.44Å; C896-L905 WeakPolarHBondContact O-CA 3.38Å; C896-V906 HydrophobicContact CB-CB 4.17Å; C896-V906 PolarHBondContact O-N 3.47Å; C896-W907 HydrophobicContact CB-CD2 3.86Å; C896-W907 HydrophobicContact CB-CG 4.12Å; C896-W907 HydrophobicContact CB-CZ2 3.81Å; C896-W907 PolarHBondContact N-O 2.94Å |
| 897 | L | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 134.1 | 178.4 | -177 | 143.6 | 0 | 0 | 0 | 110.1 | W859 N861 L885 I887 P899 L905 | W859-L897 HydrophobicContact CH2-CD1 4.47Å; W859-L897 HydrophobicContact CH2-CD2 3.61Å; W859-L897 HydrophobicContact CZ2-CD2 3.85Å; W859-L897 HydrophobicContact CZ3-CD1 4.49Å; W859-L897 HydrophobicContact CZ3-CD2 4.35Å; N861-L897 HydrophobicContact CB-CD1 3.78Å; L885-L897 HydrophobicContact CB-CB 4.31Å; L885-L897 HydrophobicContact CB-CD2 4.38Å; L885-L897 HydrophobicContact CD1-CD2 4.08Å; L885-L897 PolarHBondContact N-O 2.86Å; L885-L897 PolarHBondContact O-N 3.39Å; I887-L897 HydrophobicContact CD1-CB 3.64Å; I887-L897 HydrophobicContact CD1-CD1 4.11Å; I887-L897 HydrophobicContact CD1-CG 4.43Å; L897-P899 WeakPolarHBondContact O-CD 3.38Å; L897-L905 HydrophobicContact CB-CD2 3.59Å; L897-L905 HydrophobicContact CD1-CD2 3.89Å; L897-L905 HydrophobicContact CG-CD2 4.08Å |
| 898 | D | 90 | Very high | 90.1 | Very high | 23 Ų | 23 | 35 Ų | 35 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | trans | -86.6 | 115.2 | 168.9 | -173.1 | -23.9 | 0 | 0 | 0 | 109 | Y884 R900 N901 V906 | Y884-D898 HydrophobicContact CD1-CB 4.24Å; Y884-D898 HydrophobicContact CE1-CB 4.13Å; D898-R900 PolarHBondContact O-N 2.87Å; D898-R900 VanDerWaalsContact O-N 3.11Å; D898-R900 WeakPolarHBondContact OD1-CB 3.33Å; D898-R900 WeakPolarHBondContact OD1-CG 3.46Å; D898-R900 IonicContact OD1-CZ 3.84Å; D898-R900 PolarHBondContact OD1-N 2.78Å; D898-R900 IonicContact OD1-NE 3.71Å; D898-R900 PolarHBondContact OD1-NE 3.32Å; D898-R900 IonicContact OD1-NH2 2.7Å; D898-R900 IonicContact OD2-CZ 3.89Å; D898-R900 VanDerWaalsContact OD2-CZ 3.27Å; D898-R900 IonicContact OD2-NE 3.6Å; D898-R900 PolarHBondContact OD2-NE 3.43Å; D898-R900 VanDerWaalsContact OD2-NE 3.08Å; D898-R900 IonicContact OD2-NH2 3.66Å; D898-R900 PolarHBondContact OD2-NH2 3.03Å; D898-N901 CarbonylContact O-C 3.56Å; D898-N901 PolarHBondContact O-N 3.23Å; D898-V906 HydrophobicContact CB-CG2 3.99Å | ||
| 899 | P | 89.9 | Confident | 90 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -13.7 | -178.7 | 28.3 | -36 | 0 | 0 | 0 | 113.7 | Y832 F834 W859 P883 L885 L897 | Y832-P899 HydrophobicContact CD2-CB 4.48Å; Y832-P899 HydrophobicContact CD2-CG 4.18Å; Y832-P899 HydrophobicContact CE2-CB 4.43Å; Y832-P899 HydrophobicContact CE2-CG 3.76Å; F834-P899 HydrophobicContact CE1-CB 4.25Å; F834-P899 HydrophobicContact CZ-CB 3.75Å; W859-P899 HydrophobicContact CZ2-CB 4.14Å; W859-P899 PolarHBondContact NE1-O 3.31Å; P883-P899 WeakPolarHBondContact O-CD 3.34Å; P883-P899 WeakPolarHBondContact O-CG 3.28Å; L885-P899 HydrophobicContact CD1-CB 4.25Å; L897-P899 WeakPolarHBondContact O-CD 3.38Å |
| 900 | R | 88.1 | Confident | 89.5 | Confident | 129 Ų | 129 | 45.2 Ų | 45.2 | 49% | 0.487 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -26.3 | 172 | -54.7 | 170 | -69.6 | -168.1 | -2.2 | 112.6 | Y832 T882 D898 | Y832-R900 WeakPolarHBondContact OH-CD 3.46Å; Y832-R900 WeakPolarHBondContact OH-CG 3.28Å; T882-R900 VanDerWaalsContact OG1-CZ 3.23Å; T882-R900 PolarHBondContact OG1-NH1 2.96Å; T882-R900 VanDerWaalsContact OG1-NH1 3.13Å; T882-R900 PolarHBondContact OG1-NH2 3.42Å; D898-R900 PolarHBondContact O-N 2.87Å; D898-R900 VanDerWaalsContact O-N 3.11Å; D898-R900 WeakPolarHBondContact OD1-CB 3.33Å; D898-R900 WeakPolarHBondContact OD1-CG 3.46Å; D898-R900 IonicContact OD1-CZ 3.84Å; D898-R900 PolarHBondContact OD1-N 2.78Å; D898-R900 IonicContact OD1-NE 3.71Å; D898-R900 PolarHBondContact OD1-NE 3.32Å; D898-R900 IonicContact OD1-NH2 2.7Å; D898-R900 IonicContact OD2-CZ 3.89Å; D898-R900 VanDerWaalsContact OD2-CZ 3.27Å; D898-R900 IonicContact OD2-NE 3.6Å; D898-R900 PolarHBondContact OD2-NE 3.43Å; D898-R900 VanDerWaalsContact OD2-NE 3.08Å; D898-R900 IonicContact OD2-NH2 3.66Å; D898-R900 PolarHBondContact OD2-NH2 3.03Å |
| 901 | N | 89 | Confident | 88.6 | Confident | 72 Ų | 72 | 46 Ų | 46 | 39% | 0.385 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -131.2 | 64.1 | -178.3 | -169.6 | 0.9 | 0 | 0 | 0 | 110.5 | D898 S903 H904 | D898-N901 CarbonylContact O-C 3.56Å; D898-N901 PolarHBondContact O-N 3.23Å; N901-S903 PolarHBondContact O-N 3.45Å; N901-S903 PolarHBondContact OD1-OG 2.94Å; N901-H904 PolarHBondContact O-N 2.82Å; N901-H904 VanDerWaalsContact O-O 3.07Å; N901-H904 PolarHBondContact OD1-CD2 3.46Å |
| 902 | P | 88 | Confident | 88.1 | Confident | 31 Ų | 31 | 54 Ų | 54 | 20% | 0.201 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -5 | -169.9 | 30.8 | -39.5 | 0 | 0 | 0 | 114.5 | W859 N861 | W859-P902 HydrophobicContact CB-CB 4.12Å; W859-P902 HydrophobicContact CB-CG 3.85Å; W859-P902 HydrophobicContact CD2-CB 3.39Å; W859-P902 HydrophobicContact CD2-CG 3.97Å; W859-P902 HydrophobicContact CE3-CB 3.77Å; W859-P902 HydrophobicContact CG-CB 3.57Å; W859-P902 HydrophobicContact CG-CG 3.55Å; W859-P902 HydrophobicContact CZ2-CB 4.27Å; W859-P902 HydrophobicContact CZ3-CB 4.38Å; N861-P902 PolarHBondContact ND2-O 3.34Å |
| 903 | S | 86.7 | Confident | 87.9 | Confident | 90 Ų | 90 | 58.3 Ų | 58.3 | 63% | 0.629 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -14.7 | 169.9 | 40.7 | 0 | 0 | 0 | 0 | 113.8 | N901 | N901-S903 PolarHBondContact O-N 3.45Å; N901-S903 PolarHBondContact OD1-OG 2.94Å |
| 904 | H | 81.9 | Confident | 87.8 | Confident | 122 Ų | 122 | 59.9 Ų | 59.9 | 57% | 0.565 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -126.9 | 129.1 | -178.9 | -66.5 | -81.7 | 0 | 0 | 0 | 112.2 | N901 | N901-H904 PolarHBondContact O-N 2.82Å; N901-H904 VanDerWaalsContact O-O 3.07Å; N901-H904 PolarHBondContact OD1-CD2 3.46Å |
| 905 | L | 87.5 | Confident | 87.7 | Confident | 47 Ų | 47 | 59.9 Ų | 59.9 | 25% | 0.246 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 136.2 | 171.8 | -66.2 | 167.4 | 0 | 0 | 0 | 109.6 | F863 C896 L897 W907 M908 | F863-L905 HydrophobicContact CD2-CD1 4.05Å; F863-L905 HydrophobicContact CD2-CD2 4.21Å; F863-L905 HydrophobicContact CE2-CD1 4.22Å; F863-L905 HydrophobicContact CE2-CD2 4.31Å; C896-L905 CarbonylContact O-C 3.44Å; C896-L905 WeakPolarHBondContact O-CA 3.38Å; L897-L905 HydrophobicContact CB-CD2 3.59Å; L897-L905 HydrophobicContact CD1-CD2 3.89Å; L897-L905 HydrophobicContact CG-CD2 4.08Å; L905-W907 VanDerWaalsContact C-N 3.29Å; L905-W907 PolarHBondContact O-N 3.21Å; L905-M908 HydrophobicContact CD1-CB 4.39Å; L905-M908 HydrophobicContact CD1-CE 3.34Å |
| 906 | V | 88.6 | Confident | 87.6 | Confident | 70 Ų | 70 | 63.1 Ų | 63.1 | 42% | 0.424 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | -41.8 | 176.2 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | Y884 C896 D898 | Y884-V906 HydrophobicContact CD1-CG2 3.85Å; Y884-V906 HydrophobicContact CE1-CG2 3.79Å; C896-V906 HydrophobicContact CB-CB 4.17Å; C896-V906 PolarHBondContact O-N 3.47Å; D898-V906 HydrophobicContact CB-CG2 3.99Å |
| 907 | W | 92.6 | Very high | 87.5 | Confident | 14 Ų | 14 | 63 Ų | 63 | 5% | 0.053 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 156.7 | 167.8 | 53.9 | -100.8 | 0 | 0 | 0 | 110.5 | I894 G895 C896 L905 R909 F943 L945 | I894-W907 HydrophobicContact CD1-CH2 4.02Å; I894-W907 HydrophobicContact CD1-CZ3 4.4Å; I894-W907 HydrophobicContact CG1-CH2 3.91Å; I894-W907 HydrophobicContact CG1-CZ3 3.87Å; I894-W907 HydrophobicContact CG2-CZ3 4.32Å; G895-W907 CarbonylContact C-O 3.6Å; G895-W907 WeakPolarHBondContact CA-O 3.32Å; C896-W907 HydrophobicContact CB-CD2 3.86Å; C896-W907 HydrophobicContact CB-CG 4.12Å; C896-W907 HydrophobicContact CB-CZ2 3.81Å; C896-W907 PolarHBondContact N-O 2.94Å; L905-W907 VanDerWaalsContact C-N 3.29Å; L905-W907 PolarHBondContact O-N 3.21Å; W907-R909 HydrophobicContact CE3-CG 4.26Å; W907-R909 HydrophobicContact CZ3-CG 4.36Å; W907-F943 HydrophobicContact CH2-CB 4.31Å; W907-L945 PolarHBondContact NE1-O 3.4Å |
| 908 | M | 92.1 | Very high | 87.5 | Confident | 61 Ų | 61 | 66.5 Ų | 66.5 | 30% | 0.3 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 146.2 | 173.1 | -170.9 | -165.4 | -87.4 | 0 | 0 | 109 | F863 T893 I894 L905 N910 | F863-M908 WeakPolarHBondContact O-CE 3.29Å; T893-M908 HydrophobicContact CG2-CE 4.31Å; T893-M908 HydrophobicContact CG2-CG 3.37Å; T893-M908 HydrophobicContact CG2-SD 3.69Å; I894-M908 CarbonylContact O-C 3.53Å; I894-M908 WeakPolarHBondContact O-CA 3.27Å; L905-M908 HydrophobicContact CD1-CB 4.39Å; L905-M908 HydrophobicContact CD1-CE 3.34Å; M908-N910 PolarHBondContact SD-OD1 2.92Å |
| 909 | R | 92 | Very high | 87.6 | Confident | 90 Ų | 90 | 65.6 Ų | 65.6 | 34% | 0.34 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 112.4 | 171 | -63.3 | -64.6 | 180 | -103.3 | 3.2 | 108.9 | T893 I894 W907 G911 F943 N947 G948 N949 | T893-R909 WeakPolarHBondContact CA-O 3.26Å; I894-R909 HydrophobicContact CG2-CB 4.05Å; I894-R909 PolarHBondContact N-O 3.29Å; I894-R909 PolarHBondContact O-N 2.92Å; W907-R909 HydrophobicContact CE3-CG 4.26Å; W907-R909 HydrophobicContact CZ3-CG 4.36Å; R909-G911 PolarHBondContact O-N 3.16Å; R909-F943 HydrophobicContact CB-CE1 4.22Å; R909-F943 HydrophobicContact CG-CD1 4.33Å; R909-F943 HydrophobicContact CG-CE1 4.16Å; R909-N947 PolarHBondContact NH2-O 2.96Å; R909-G948 WeakPolarHBondContact CG-O 3.36Å; R909-G948 PolarHBondContact NE-O 2.92Å; R909-N949 PolarHBondContact NH2-OD1 3.5Å |
| 910 | N | 83.2 | Confident | 87.7 | Confident | 126 Ų | 126 | 66.3 Ų | 66.3 | 67% | 0.674 | 34% | 0.336 | S | S | * | . | trans | -77.1 | 116.6 | -176.8 | -60.9 | 0.7 | 0 | 0 | 0 | 110 | M908 | M908-N910 PolarHBondContact SD-OD1 2.92Š| ||
| 911 | G | 73.2 | Confident | 87.7 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | trans | -85.3 | -170.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112 | G892 R909 | G892-G911 VanDerWaalsContact O-CA 3.23Å; G892-G911 WeakPolarHBondContact O-CA 3.48Å; G892-G911 PolarHBondContact O-N 2.96Å; R909-G911 PolarHBondContact O-N 3.16Å | ||
| 912 | K | 75.9 | Confident | 87.6 | Confident | 191 Ų | 191 | 60.5 Ų | 60.5 | 83% | 0.83 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -130.8 | -5.2 | 168.6 | -63.3 | -176.6 | 179.7 | 179 | 0 | 112.9 | G891 | G891-K912 CarbonylContact O-C 3.6Š|
| 913 | M | 83.9 | Confident | 87.4 | Confident | 99 Ų | 99 | 63.2 Ų | 63.2 | 49% | 0.488 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -126.3 | 127.4 | -166.4 | -69 | -71.8 | 124.4 | 0 | 0 | 108.4 | G892 S937 | G892-M913 WeakPolarHBondContact CA-O 3.33Å; M913-S937 WeakPolarHBondContact CB-OG 3.47Å |
| 914 | P | 90.2 | Very high | 87 | Confident | 41 Ų | 41 | 60.3 Ų | 60.3 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | trans | -54.7 | 147.7 | -172.6 | -27.4 | 32.7 | 0 | 0 | 0 | 114.9 | L890 F916 V936 | L890-P914 HydrophobicContact CD2-CB 3.87Å; L890-P914 WeakPolarHBondContact O-CA 3.22Å; L890-P914 WeakPolarHBondContact O-CG 3.34Å; P914-F916 HydrophobicContact CB-CD2 4.18Å; P914-F916 HydrophobicContact CB-CE2 3.82Å; P914-V936 HydrophobicContact CB-CB 4.46Å; P914-V936 HydrophobicContact CB-CG2 4.19Å; P914-V936 WeakPolarHBondContact O-CB 3.44Å; P914-V936 VanDerWaalsContact O-CG2 3.31Å; P914-V936 WeakPolarHBondContact O-CG2 3.42Å; P914-V936 PolarHBondContact O-N 3.46Å | ||
| 915 | V | 91.3 | Very high | 86.7 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 4% | 0.036 | 32% | 0.316 | C | S | . | . | trans | -113 | 124.4 | 168.1 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | A888 S889 I933 | A888-V915 HydrophobicContact CB-CB 3.93Å; A888-V915 HydrophobicContact CB-CG1 3.69Å; A888-V915 HydrophobicContact CB-CG2 4.42Å; S889-V915 PolarHBondContact O-N 3.38Å; S889-V915 VanDerWaalsContact O-N 3.09Å; V915-I933 HydrophobicContact CG1-CG2 3.86Å; V915-I933 HydrophobicContact CG2-CG2 3.82Å | ||
| 916 | F | 90.8 | Very high | 86.2 | Confident | 68 Ų | 68 | 62.1 Ų | 62.1 | 30% | 0.298 | 33% | 0.33 | S | S | . | . | trans | -110 | -36.4 | 172.7 | -75.3 | -107.5 | 0 | 0 | 0 | 111.6 | V869 L890 P914 V936 F966 | V869-F916 HydrophobicContact CG2-CD1 3.77Å; V869-F916 HydrophobicContact CG2-CE1 4.05Å; V869-F916 HydrophobicContact CG2-CG 4.08Å; L890-F916 HydrophobicContact CD2-CD2 3.94Å; L890-F916 HydrophobicContact CD2-CE1 4.11Å; L890-F916 HydrophobicContact CD2-CE2 3.39Å; L890-F916 HydrophobicContact CD2-CZ 3.5Å; L890-F916 VanDerWaalsContact CD2-CZ 3.5Å; P914-F916 HydrophobicContact CB-CD2 4.18Å; P914-F916 HydrophobicContact CB-CE2 3.82Å; F916-V936 HydrophobicContact CD2-CG2 3.46Å; F916-V936 VanDerWaalsContact CD2-CG2 3.46Å; F916-V936 HydrophobicContact CE2-CG2 3.89Å; F916-F966 HydrophobicContact CB-CD1 4.13Å; F916-F966 HydrophobicContact CD1-CD1 4.32Å; F916-F966 AromaticContact CD2-CD1 3.93Å; F916-F966 HydrophobicContact CD2-CD1 3.93Å; F916-F966 HydrophobicContact CD2-CE1 4Å; F916-F966 HydrophobicContact CE2-CD1 4.37Å; F916-F966 HydrophobicContact CE2-CE1 4.03Å; F916-F966 AromaticContact CG-CD1 3.89Å; F916-F966 HydrophobicContact CG-CD1 3.89Å; F916-F966 HydrophobicContact CG-CE1 4.36Å; F916-F966 HydrophobicContact CZ-CE1 4.43Å | ||
| 917 | S | 90.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -58.1 | 143.5 | -179.6 | 64.2 | 0 | 0 | 0 | 0 | 112.4 | S870 A934 S967 | S870-S917 PolarHBondContact OG-O 2.89Å; S917-A934 PolarHBondContact OG-O 3.01Å; S917-A934 VanDerWaalsContact OG-O 3.05Å; S917-S967 VanDerWaalsContact CB-O 3.3Å; S917-S967 WeakPolarHBondContact CB-O 3.4Å |
| 918 | K | 91.9 | Very high | 84.9 | Confident | 73 Ų | 73 | 70.1 Ų | 70.1 | 32% | 0.317 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 131.5 | 161.5 | -176.2 | 177.3 | 175.4 | -174.3 | 0 | 110.6 | P871 I873 D968 P969 | P871-K918 HydrophobicContact CB-CB 4.36Å; P871-K918 HydrophobicContact CB-CG 4.19Å; P871-K918 HydrophobicContact CG-CB 3.96Å; P871-K918 HydrophobicContact CG-CG 4.29Å; I873-K918 HydrophobicContact CD1-CD 4.33Å; I873-K918 HydrophobicContact CD1-CG 3.48Å; I873-K918 VanDerWaalsContact CD1-CG 3.48Å; I873-K918 HydrophobicContact CG1-CG 4.28Å; K918-D968 HydrophobicContact CB-CB 4.06Å; K918-D968 WeakPolarHBondContact CB-OD1 3.26Å; K918-D968 PolarHBondContact N-OD1 2.85Å; K918-P969 VanDerWaalsContact O-CD 3.29Å; K918-P969 WeakPolarHBondContact O-CD 3.34Å; K918-P969 WeakPolarHBondContact O-CG 3.32Å |
| 919 | P | 92.1 | Very high | 84.6 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 143 | 168.7 | -22.5 | 28 | 0 | 0 | 0 | 112.5 | S870 I873 I886 V931 I933 | S870-P919 WeakPolarHBondContact OG-CD 3.43Å; I873-P919 HydrophobicContact CD1-CB 3.79Å; I873-P919 HydrophobicContact CD1-CG 4.03Å; I873-P919 WeakPolarHBondContact CD1-O 3.48Å; I873-P919 HydrophobicContact CG1-CG 4.37Å; I886-P919 HydrophobicContact CG2-CB 4.02Å; I886-P919 HydrophobicContact CG2-CG 3.85Å; P919-V931 HydrophobicContact CB-CG1 3.9Å; P919-I933 HydrophobicContact CB-CD1 3.52Å; P919-I933 HydrophobicContact CG-CD1 3.62Å |
| 920 | L | 91.7 | Very high | 84.4 | Confident | 25 Ų | 25 | 63.7 Ų | 63.7 | 13% | 0.131 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 124 | 168.3 | 170.7 | 65.1 | 0 | 0 | 0 | 109.4 | V931 I932 P969 L971 V978 | L920-V931 CarbonylContact O-C 3.55Å; L920-V931 WeakPolarHBondContact O-CA 3.31Å; L920-I932 HydrophobicContact CB-CB 4.24Å; L920-I932 HydrophobicContact CD2-CD1 4.3Å; L920-I932 PolarHBondContact N-O 3.06Å; L920-I932 PolarHBondContact O-N 2.97Å; L920-P969 HydrophobicContact CB-CB 3.92Å; L920-P969 HydrophobicContact CB-CG 3.7Å; L920-P969 HydrophobicContact CD2-CB 4.16Å; L920-L971 HydrophobicContact CD1-CB 3.95Å; L920-L971 HydrophobicContact CD2-CB 3.96Å; L920-L971 HydrophobicContact CD2-CD1 4.49Å; L920-V978 HydrophobicContact CD2-CB 4.12Å; L920-V978 HydrophobicContact CD2-CG2 3.61Å |
| 921 | L | 89.1 | Confident | 84.8 | Confident | 49 Ų | 49 | 57.7 Ų | 57.7 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 130.6 | 167.4 | -64.3 | 178.1 | 0 | 0 | 0 | 109.3 | I873 S875 V931 | I873-L921 HydrophobicContact CG2-CD1 3.96Å; I873-L921 HydrophobicContact CG2-CG 4.4Å; S875-L921 WeakPolarHBondContact OG-CD1 3.38Å; S875-L921 WeakPolarHBondContact OG-CD2 3.46Å; L921-V931 HydrophobicContact CD2-CG2 3.93Å |
| 922 | Y | 86.2 | Confident | 85.8 | Confident | 29 Ų | 29 | 56.1 Ų | 56.1 | 11% | 0.114 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 139.8 | 172.5 | 174.7 | -113.4 | 0 | 0 | 0 | 109.5 | D924 V929 N930 L971 V992 V993 | Y922-D924 HydrophobicContact CE1-CB 3.74Å; Y922-V929 CarbonylContact O-C 3.59Å; Y922-V929 WeakPolarHBondContact O-CA 3.39Å; Y922-N930 PolarHBondContact N-O 3.09Å; Y922-N930 PolarHBondContact O-N 3.26Å; Y922-L971 HydrophobicContact CD2-CD1 4.26Å; Y922-L971 HydrophobicContact CD2-CD2 4.17Å; Y922-V992 HydrophobicContact CD1-CG1 4.18Å; Y922-V992 HydrophobicContact CD1-CG2 3.7Å; Y922-V992 HydrophobicContact CD2-CG1 4.19Å; Y922-V992 HydrophobicContact CD2-CG2 3.81Å; Y922-V992 HydrophobicContact CE1-CB 4.49Å; Y922-V992 HydrophobicContact CE1-CG1 3.69Å; Y922-V992 HydrophobicContact CE1-CG2 4.12Å; Y922-V992 HydrophobicContact CE2-CG1 3.73Å; Y922-V992 HydrophobicContact CE2-CG2 4.24Å; Y922-V992 HydrophobicContact CG-CG1 4.41Å; Y922-V992 HydrophobicContact CG-CG2 3.54Å; Y922-V992 VanDerWaalsContact CZ-CG1 3.47Å; Y922-V993 HydrophobicContact CE1-CG2 4.29Å |
| 923 | M | 84 | Confident | 86.5 | Confident | 89 Ų | 89 | 47.5 Ų | 47.5 | 44% | 0.438 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 125.4 | 170.9 | -178.3 | -177.7 | -80 | 0 | 0 | 107.8 | Y927 K928 V929 | M923-Y927 HydrophobicContact SD-CD1 3.92Å; M923-K928 WeakPolarHBondContact CA-O 3.34Å; M923-V929 HydrophobicContact CB-CG2 4.37Å; M923-V929 HydrophobicContact CE-CG2 3.43Å; M923-V929 VanDerWaalsContact CE-CG2 3.43Å; M923-V929 HydrophobicContact CG-CG2 4.25Å |
| 924 | D | 78.1 | Confident | 86.9 | Confident | 29 Ų | 29 | 42.8 Ų | 42.8 | 16% | 0.155 | 22% | 0.221 | C | C | . | . | trans | -83.9 | 176.8 | 178.1 | 74.9 | 17.2 | 0 | 0 | 0 | 112.8 | Y922 S926 Y927 K928 | Y922-D924 HydrophobicContact CE1-CB 3.74Å; D924-S926 PolarHBondContact O-N 3.18Å; D924-S926 VanDerWaalsContact O-N 3.16Å; D924-S926 VanDerWaalsContact OD1-CA 3.26Å; D924-S926 WeakPolarHBondContact OD1-CA 3.2Å; D924-S926 WeakPolarHBondContact OD1-CB 3.49Å; D924-S926 PolarHBondContact OD1-N 2.64Å; D924-S926 PolarHBondContact OD1-OG 2.95Å; D924-S926 PolarHBondContact OD2-OG 2.57Å; D924-Y927 PolarHBondContact O-N 2.68Å; D924-Y927 PolarHBondContact OD1-N 3.26Å; D924-K928 PolarHBondContact N-O 3.04Å; D924-K928 WeakPolarHBondContact OD1-CB 3.25Å; D924-K928 PolarHBondContact OD1-N 3.15Å | ||
| 925 | S | 76.4 | Confident | 86.8 | Confident | 126 Ų | 126 | 41 Ų | 41 | 88% | 0.881 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -6.8 | 178.7 | 50.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 926 | S | 76.7 | Confident | 86.7 | Confident | 80 Ų | 80 | 42.2 Ų | 42.2 | 56% | 0.559 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 7.9 | 170.7 | 78 | 0 | 0 | 0 | 0 | 113.1 | D924 K928 | D924-S926 PolarHBondContact O-N 3.18Å; D924-S926 VanDerWaalsContact O-N 3.16Å; D924-S926 VanDerWaalsContact OD1-CA 3.26Å; D924-S926 WeakPolarHBondContact OD1-CA 3.2Å; D924-S926 WeakPolarHBondContact OD1-CB 3.49Å; D924-S926 PolarHBondContact OD1-N 2.64Å; D924-S926 PolarHBondContact OD1-OG 2.95Å; D924-S926 PolarHBondContact OD2-OG 2.57Å; S926-K928 PolarHBondContact O-N 3.3Å |
| 927 | Y | 73.6 | Confident | 86.3 | Confident | 186 Ų | 186 | 41.1 Ų | 41.1 | 73% | 0.729 | 22% | 0.219 | S | C | * | . | trans | 63.8 | 14.2 | -172.2 | -55.6 | -88.2 | 0 | 0 | 0 | 114.4 | M923 D924 V929 | M923-Y927 HydrophobicContact SD-CD1 3.92Å; D924-Y927 PolarHBondContact O-N 2.68Å; D924-Y927 PolarHBondContact OD1-N 3.26Å; Y927-V929 PolarHBondContact O-N 3.12Å | ||
| 928 | K | 79.6 | Confident | 86 | Confident | 67 Ų | 67 | 41.1 Ų | 41.1 | 29% | 0.291 | 22% | 0.219 | S | C | . | . | trans | -74 | 123.6 | 174.3 | -174.2 | -173.5 | 179.3 | -175 | 0 | 109.2 | M923 D924 S926 N930 D951 | M923-K928 WeakPolarHBondContact CA-O 3.34Å; D924-K928 PolarHBondContact N-O 3.04Å; D924-K928 WeakPolarHBondContact OD1-CB 3.25Å; D924-K928 PolarHBondContact OD1-N 3.15Å; S926-K928 PolarHBondContact O-N 3.3Å; K928-N930 WeakPolarHBondContact CE-OD1 3.36Å; K928-D951 WeakPolarHBondContact CE-OD2 3.31Å; K928-D951 IonicContact NZ-OD1 2.62Å; K928-D951 PolarHBondContact NZ-OD1 3.39Å; K928-D951 IonicContact NZ-OD2 2.82Å; K928-D951 PolarHBondContact NZ-OD2 3.03Å | ||
| 929 | V | 85.8 | Confident | 85.7 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 126.6 | 175.9 | -170.2 | 0 | 0 | 0 | 0 | 110.2 | Y922 M923 Y927 L945 | Y922-V929 CarbonylContact O-C 3.59Å; Y922-V929 WeakPolarHBondContact O-CA 3.39Å; M923-V929 HydrophobicContact CB-CG2 4.37Å; M923-V929 HydrophobicContact CE-CG2 3.43Å; M923-V929 VanDerWaalsContact CE-CG2 3.43Å; M923-V929 HydrophobicContact CG-CG2 4.25Å; Y927-V929 PolarHBondContact O-N 3.12Å; V929-L945 HydrophobicContact CB-CB 4.06Å; V929-L945 HydrophobicContact CB-CD2 3.75Å; V929-L945 HydrophobicContact CG1-CB 4.2Å; V929-L945 HydrophobicContact CG1-CD2 3.64Å; V929-L945 HydrophobicContact CG2-CD2 4.46Å; V929-L945 WeakPolarHBondContact O-CB 3.41Å; V929-L945 PolarHBondContact O-N 3.33Å |
| 930 | N | 89 | Confident | 85.7 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 152.7 | 179.6 | -79 | -11 | 0 | 0 | 0 | 110.9 | Y922 K928 S942 F943 S944 D951 | Y922-N930 PolarHBondContact N-O 3.09Å; Y922-N930 PolarHBondContact O-N 3.26Å; K928-N930 WeakPolarHBondContact CE-OD1 3.36Å; N930-S942 PolarHBondContact ND2-OG 3.34Å; N930-F943 CarbonylContact C-O 3.54Å; N930-F943 WeakPolarHBondContact CA-O 3.14Å; N930-S944 WeakPolarHBondContact OD1-CA 3.44Å; N930-D951 PolarHBondContact ND2-OD2 2.85Å; N930-D951 PolarHBondContact OD1-OD2 3.42Å |
| 931 | V | 91.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 113.3 | 178.6 | -173.6 | 0 | 0 | 0 | 0 | 108.5 | I886 I894 P919 L920 L921 I933 S942 F943 L945 | I886-V931 HydrophobicContact CD1-CG2 4.32Å; I886-V931 HydrophobicContact CG1-CG2 4.39Å; I886-V931 HydrophobicContact CG2-CG1 3.75Å; I894-V931 HydrophobicContact CD1-CG1 3.94Å; P919-V931 HydrophobicContact CB-CG1 3.9Å; L920-V931 CarbonylContact O-C 3.55Å; L920-V931 WeakPolarHBondContact O-CA 3.31Å; L921-V931 HydrophobicContact CD2-CG2 3.93Å; V931-I933 HydrophobicContact CG1-CD1 4.11Å; V931-I933 HydrophobicContact CG1-CG1 4.39Å; V931-S942 CarbonylContact O-C 3.25Å; V931-S942 WeakPolarHBondContact O-CA 3.41Å; V931-F943 PolarHBondContact N-O 3.02Å; V931-F943 PolarHBondContact O-N 3.12Å; V931-L945 HydrophobicContact CG2-CB 4.43Å; V931-L945 HydrophobicContact CG2-CD1 4.07Å |
| 932 | I | 93.2 | Very high | 86 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 129.4 | 179.4 | -62.1 | 167 | 0 | 0 | 0 | 109.5 | L920 I940 R941 W952 V978 V992 | L920-I932 HydrophobicContact CB-CB 4.24Å; L920-I932 HydrophobicContact CD2-CD1 4.3Å; L920-I932 PolarHBondContact N-O 3.06Å; L920-I932 PolarHBondContact O-N 2.97Å; I932-I940 HydrophobicContact CG2-CG2 3.9Å; I932-R941 WeakPolarHBondContact CA-O 3.29Å; I932-W952 HydrophobicContact CD1-CZ2 3.89Å; I932-W952 HydrophobicContact CG1-CH2 4.49Å; I932-W952 HydrophobicContact CG1-CZ2 4.06Å; I932-W952 HydrophobicContact CG2-CH2 4.06Å; I932-W952 HydrophobicContact CG2-CZ2 4.44Å; I932-V978 HydrophobicContact CD1-CG1 4.47Å; I932-V978 HydrophobicContact CG2-CG2 4.42Å; I932-V992 HydrophobicContact CD1-CG2 3.49Å; I932-V992 VanDerWaalsContact CD1-CG2 3.49Å |
| 933 | I | 92.1 | Very high | 86.3 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 138.3 | -177.6 | -59.3 | -61.8 | 0 | 0 | 0 | 110.5 | I894 V915 P919 V931 I940 R941 F943 | I894-I933 HydrophobicContact CD1-CD1 3.64Å; I894-I933 HydrophobicContact CD1-CG1 3.46Å; I894-I933 VanDerWaalsContact CD1-CG1 3.46Å; V915-I933 HydrophobicContact CG1-CG2 3.86Å; V915-I933 HydrophobicContact CG2-CG2 3.82Å; P919-I933 HydrophobicContact CB-CD1 3.52Å; P919-I933 HydrophobicContact CG-CD1 3.62Å; V931-I933 HydrophobicContact CG1-CD1 4.11Å; V931-I933 HydrophobicContact CG1-CG1 4.39Å; I933-I940 CarbonylContact O-C 3.56Å; I933-I940 VanDerWaalsContact O-CA 3.23Å; I933-I940 WeakPolarHBondContact O-CA 3.37Å; I933-I940 WeakPolarHBondContact O-CG2 3.22Å; I933-R941 PolarHBondContact N-O 3.45Å; I933-R941 PolarHBondContact O-N 2.78Å; I933-F943 HydrophobicContact CB-CE2 4.27Å; I933-F943 HydrophobicContact CG1-CD2 4.19Å; I933-F943 HydrophobicContact CG1-CE2 4.02Å |
| 934 | A | 91.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 118.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S917 I940 I965 L980 | S917-A934 PolarHBondContact OG-O 3.01Å; S917-A934 VanDerWaalsContact OG-O 3.05Å; A934-I940 HydrophobicContact CB-CG1 4.07Å; A934-I965 HydrophobicContact CB-CB 4.19Å; A934-I965 HydrophobicContact CB-CD1 4.22Å; A934-I965 HydrophobicContact CB-CG2 3.63Å; A934-L980 HydrophobicContact CB-CD2 3.7Å |
| 935 | G | 89 | Confident | 86.9 | Confident | 4 Ų | 4 | 32 Ų | 32 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 151.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S937 G938 T939 | G935-S937 PolarHBondContact O-N 2.95Å; G935-G938 PolarHBondContact O-N 2.94Å; G935-T939 PolarHBondContact N-O 2.92Å |
| 936 | V | 87.6 | Confident | 87.2 | Confident | 32 Ų | 32 | 30.1 Ų | 30.1 | 19% | 0.194 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -20.6 | 177.1 | 167.5 | 0 | 0 | 0 | 0 | 113.1 | P914 F916 G938 A964 F966 | P914-V936 HydrophobicContact CB-CB 4.46Å; P914-V936 HydrophobicContact CB-CG2 4.19Å; P914-V936 WeakPolarHBondContact O-CB 3.44Å; P914-V936 VanDerWaalsContact O-CG2 3.31Å; P914-V936 WeakPolarHBondContact O-CG2 3.42Å; P914-V936 PolarHBondContact O-N 3.46Å; F916-V936 HydrophobicContact CD2-CG2 3.46Å; F916-V936 VanDerWaalsContact CD2-CG2 3.46Å; F916-V936 HydrophobicContact CE2-CG2 3.89Å; V936-G938 PolarHBondContact O-N 3.06Å; V936-A964 HydrophobicContact CG1-CB 4.09Å; V936-A964 VanDerWaalsContact O-CA 3.22Å; V936-A964 WeakPolarHBondContact O-CA 3.47Å; V936-A964 WeakPolarHBondContact O-CB 3.16Å; V936-F966 HydrophobicContact CG1-CE1 4.16Å; V936-F966 HydrophobicContact CG1-CZ 4.02Å; V936-F966 HydrophobicContact CG2-CD1 3.97Å; V936-F966 HydrophobicContact CG2-CE1 3.63Å; V936-F966 HydrophobicContact CG2-CZ 4.26Å |
| 937 | S | 84 | Confident | 87.7 | Confident | 45 Ų | 45 | 29.5 Ų | 29.5 | 32% | 0.315 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 1.2 | 171.8 | 44.7 | 0 | 0 | 0 | 0 | 115.4 | M913 G935 T939 | M913-S937 WeakPolarHBondContact CB-OG 3.47Å; G935-S937 PolarHBondContact O-N 2.95Å; S937-T939 VanDerWaalsContact C-N 3.28Å; S937-T939 PolarHBondContact OG-OG1 2.83Å; S937-T939 VanDerWaalsContact OG-OG1 3.05Å |
| 938 | G | 82.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 22.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113 | G935 V936 C956 | G935-G938 PolarHBondContact O-N 2.94Å; V936-G938 PolarHBondContact O-N 3.06Å; G938-C956 WeakPolarHBondContact O-CB 3.38Å; G938-C956 PolarHBondContact O-N 3.35Å; G938-C956 PolarHBondContact O-SG 3.43Å |
| 939 | T | 87.5 | Confident | 88.9 | Confident | 15 Ų | 15 | 21.3 Ų | 21.3 | 9% | 0.092 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 119.1 | 177.6 | 62.2 | 0 | 0 | 0 | 0 | 109.4 | G935 S937 R941 E955 | G935-T939 PolarHBondContact N-O 2.92Å; S937-T939 VanDerWaalsContact C-N 3.28Å; S937-T939 PolarHBondContact OG-OG1 2.83Å; S937-T939 VanDerWaalsContact OG-OG1 3.05Å; T939-R941 PolarHBondContact OG1-NH1 3.09Å; T939-E955 HydrophobicContact CG2-CB 4.39Å; T939-E955 HydrophobicContact CG2-CG 3.85Å; T939-E955 WeakPolarHBondContact CG2-OE1 3.4Å |
| 940 | I | 91.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 130.5 | 180 | -54.5 | 97.7 | 0 | 0 | 0 | 109.1 | I932 I933 A934 W952 S953 Y954 I965 L980 F988 L990 | I932-I940 HydrophobicContact CG2-CG2 3.9Å; I933-I940 CarbonylContact O-C 3.56Å; I933-I940 VanDerWaalsContact O-CA 3.23Å; I933-I940 WeakPolarHBondContact O-CA 3.37Å; I933-I940 WeakPolarHBondContact O-CG2 3.22Å; A934-I940 HydrophobicContact CB-CG1 4.07Å; I940-W952 HydrophobicContact CB-CZ3 4.34Å; I940-W952 HydrophobicContact CG2-CH2 3.89Å; I940-W952 HydrophobicContact CG2-CZ3 3.82Å; I940-S953 WeakPolarHBondContact O-CA 3.4Å; I940-Y954 HydrophobicContact CD1-CD1 3.68Å; I940-Y954 HydrophobicContact CD1-CE1 4.08Å; I940-Y954 PolarHBondContact N-O 2.91Å; I940-Y954 PolarHBondContact O-N 2.97Å; I940-I965 HydrophobicContact CD1-CD1 3.69Å; I940-I965 HydrophobicContact CG1-CD1 4Å; I940-L980 HydrophobicContact CD1-CD1 4.25Å; I940-L980 HydrophobicContact CG1-CD1 3.87Å; I940-L980 HydrophobicContact CG1-CD2 4.43Å; I940-L980 HydrophobicContact CG2-CD1 4.17Å; I940-F988 HydrophobicContact CD1-CE2 4.04Å; I940-F988 HydrophobicContact CD1-CZ 3.84Å; I940-L990 HydrophobicContact CB-CD1 4.07Å; I940-L990 HydrophobicContact CD1-CD1 4.38Å; I940-L990 HydrophobicContact CG2-CD1 4.09Å |
| 941 | R | 92.4 | Very high | 89.2 | Confident | 67 Ų | 67 | 27.9 Ų | 27.9 | 25% | 0.253 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 135.2 | -175.1 | -63.8 | -172.4 | 176.3 | 90.4 | 9.7 | 111.1 | I932 I933 T939 F943 W952 S953 E955 | I932-R941 WeakPolarHBondContact CA-O 3.29Å; I933-R941 PolarHBondContact N-O 3.45Å; I933-R941 PolarHBondContact O-N 2.78Å; T939-R941 PolarHBondContact OG1-NH1 3.09Å; R941-F943 HydrophobicContact CB-CD2 4.29Å; R941-F943 HydrophobicContact CB-CE2 3.58Å; R941-F943 HydrophobicContact CB-CZ 3.78Å; R941-W952 WeakPolarHBondContact CA-O 3.48Å; R941-S953 WeakPolarHBondContact CG-OG 3.3Å; R941-S953 PolarHBondContact NE-OG 2.91Å; R941-S953 VanDerWaalsContact NE-OG 3.17Å; R941-E955 IonicContact NH2-OE1 3.83Å; R941-E955 PolarHBondContact NH2-OE1 2.91Å |
| 942 | S | 93.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 129.1 | 166.6 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | N930 V931 I950 D951 W952 | N930-S942 PolarHBondContact ND2-OG 3.34Å; V931-S942 CarbonylContact O-C 3.25Å; V931-S942 WeakPolarHBondContact O-CA 3.41Å; S942-I950 CarbonylContact O-C 3.44Å; S942-I950 WeakPolarHBondContact O-CA 3.22Å; S942-D951 PolarHBondContact O-N 3.38Å; S942-W952 PolarHBondContact N-O 3.04Å |
| 943 | F | 92.1 | Very high | 89.2 | Confident | 13 Ų | 13 | 31.6 Ų | 31.6 | 6% | 0.057 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 132.7 | 176.3 | -58.2 | -92.2 | 0 | 0 | 0 | 110.2 | I894 W907 R909 N930 V931 I933 R941 L945 N949 I950 | I894-F943 HydrophobicContact CD1-CD2 4.22Å; I894-F943 HydrophobicContact CD1-CE2 4.45Å; I894-F943 HydrophobicContact CG2-CD2 4.44Å; I894-F943 HydrophobicContact CG2-CE1 4.21Å; I894-F943 HydrophobicContact CG2-CE2 3.92Å; I894-F943 HydrophobicContact CG2-CZ 3.78Å; W907-F943 HydrophobicContact CH2-CB 4.31Å; R909-F943 HydrophobicContact CB-CE1 4.22Å; R909-F943 HydrophobicContact CG-CD1 4.33Å; R909-F943 HydrophobicContact CG-CE1 4.16Å; N930-F943 CarbonylContact C-O 3.54Å; N930-F943 WeakPolarHBondContact CA-O 3.14Å; V931-F943 PolarHBondContact N-O 3.02Å; V931-F943 PolarHBondContact O-N 3.12Å; I933-F943 HydrophobicContact CB-CE2 4.27Å; I933-F943 HydrophobicContact CG1-CD2 4.19Å; I933-F943 HydrophobicContact CG1-CE2 4.02Å; R941-F943 HydrophobicContact CB-CD2 4.29Å; R941-F943 HydrophobicContact CB-CE2 3.58Å; R941-F943 HydrophobicContact CB-CZ 3.78Å; F943-L945 PolarHBondContact O-N 2.93Å; F943-N949 CarbonylContact C-O 3.57Å; F943-N949 VanDerWaalsContact CA-O 3.29Å; F943-N949 WeakPolarHBondContact CA-O 3.36Å; F943-I950 HydrophobicContact CD1-CG1 3.75Å; F943-I950 HydrophobicContact CE1-CD1 4.16Å; F943-I950 HydrophobicContact CE1-CG1 3.53Å; F943-I950 HydrophobicContact CZ-CG1 4.39Å |
| 944 | S | 89.6 | Confident | 89.1 | Confident | 7 Ų | 7 | 32.4 Ų | 32.4 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 125.3 | 171 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | N930 V946 N947 G948 N949 | N930-S944 WeakPolarHBondContact OD1-CA 3.44Å; S944-V946 PolarHBondContact O-N 2.81Å; S944-V946 VanDerWaalsContact O-N 3.12Å; S944-N947 PolarHBondContact O-N 2.78Å; S944-G948 WeakPolarHBondContact O-CA 3.15Å; S944-G948 PolarHBondContact O-N 3.33Å; S944-N949 PolarHBondContact N-O 2.99Å |
| 945 | L | 86.3 | Confident | 88.8 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -32.1 | -178.9 | 178.6 | 64.4 | 0 | 0 | 0 | 112.3 | S875 M877 I886 W907 V929 V931 F943 | S875-L945 WeakPolarHBondContact OG-CD2 3.02Å; M877-L945 HydrophobicContact CG-CD2 3.85Å; M877-L945 HydrophobicContact CG-CG 4.48Å; I886-L945 HydrophobicContact CD1-CD1 3.63Å; I886-L945 HydrophobicContact CG1-CD1 4.35Å; W907-L945 PolarHBondContact NE1-O 3.4Å; V929-L945 HydrophobicContact CB-CB 4.06Å; V929-L945 HydrophobicContact CB-CD2 3.75Å; V929-L945 HydrophobicContact CG1-CB 4.2Å; V929-L945 HydrophobicContact CG1-CD2 3.64Å; V929-L945 HydrophobicContact CG2-CD2 4.46Å; V929-L945 WeakPolarHBondContact O-CB 3.41Å; V929-L945 PolarHBondContact O-N 3.33Å; V931-L945 HydrophobicContact CG2-CB 4.43Å; V931-L945 HydrophobicContact CG2-CD1 4.07Å; F943-L945 PolarHBondContact O-N 2.93Å |
| 946 | V | 82.4 | Confident | 88.2 | Confident | 87 Ų | 87 | 36.2 Ų | 36.2 | 53% | 0.527 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -41.4 | -174.1 | -170.3 | 0 | 0 | 0 | 0 | 112.5 | M877 S944 | M877-V946 HydrophobicContact CE-CB 4.1Å; M877-V946 HydrophobicContact CE-CG1 4.21Å; M877-V946 HydrophobicContact CE-CG2 3.72Å; S944-V946 PolarHBondContact O-N 2.81Å; S944-V946 VanDerWaalsContact O-N 3.12Å |
| 947 | N | 86.4 | Confident | 86.9 | Confident | 67 Ų | 67 | 38.1 Ų | 38.1 | 36% | 0.358 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -142.4 | -2.9 | -164.6 | 60.6 | 22.1 | 0 | 0 | 0 | 114.8 | R909 S944 N949 | R909-N947 PolarHBondContact NH2-O 2.96Å; S944-N947 PolarHBondContact O-N 2.78Å; N947-N949 PolarHBondContact O-N 2.93Å; N947-N949 VanDerWaalsContact OD1-CB 3.28Å; N947-N949 WeakPolarHBondContact OD1-CB 3.36Å; N947-N949 PolarHBondContact OD1-N 2.97Å |
| 948 | G | 88.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | 70.4 | 14.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R909 S944 | R909-G948 WeakPolarHBondContact CG-O 3.36Å; R909-G948 PolarHBondContact NE-O 2.92Å; S944-G948 WeakPolarHBondContact O-CA 3.15Å; S944-G948 PolarHBondContact O-N 3.33Å | ||
| 949 | N | 91.4 | Very high | 84.6 | Confident | 82 Ų | 82 | 48.1 Ų | 48.1 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | trans | -73 | 143.6 | 174.5 | -68.4 | -7.9 | 0 | 0 | 0 | 110.2 | R909 F943 S944 N947 D951 | R909-N949 PolarHBondContact NH2-OD1 3.5Å; F943-N949 CarbonylContact C-O 3.57Å; F943-N949 VanDerWaalsContact CA-O 3.29Å; F943-N949 WeakPolarHBondContact CA-O 3.36Å; S944-N949 PolarHBondContact N-O 2.99Å; N947-N949 PolarHBondContact O-N 2.93Å; N947-N949 VanDerWaalsContact OD1-CB 3.28Å; N947-N949 WeakPolarHBondContact OD1-CB 3.36Å; N947-N949 PolarHBondContact OD1-N 2.97Å; N949-D951 PolarHBondContact O-N 2.8Å | ||
| 950 | I | 91.1 | Very high | 83.5 | Confident | 91 Ų | 91 | 47.5 Ų | 47.5 | 47% | 0.467 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 123.5 | 177.5 | -64 | 168.4 | 0 | 0 | 0 | 108.3 | S942 F943 W952 | S942-I950 CarbonylContact O-C 3.44Å; S942-I950 WeakPolarHBondContact O-CA 3.22Å; F943-I950 HydrophobicContact CD1-CG1 3.75Å; F943-I950 HydrophobicContact CE1-CD1 4.16Å; F943-I950 HydrophobicContact CE1-CG1 3.53Å; F943-I950 HydrophobicContact CZ-CG1 4.39Å; I950-W952 WeakPolarHBondContact CG2-O 3.48Å |
| 951 | D | 89.3 | Confident | 82 | Confident | 62 Ų | 62 | 50 Ų | 50 | 33% | 0.332 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -48.9 | 172.9 | -97.9 | 33.1 | 0 | 0 | 0 | 110.6 | K928 N930 S942 N949 | K928-D951 WeakPolarHBondContact CE-OD2 3.31Å; K928-D951 IonicContact NZ-OD1 2.62Å; K928-D951 PolarHBondContact NZ-OD1 3.39Å; K928-D951 IonicContact NZ-OD2 2.82Å; K928-D951 PolarHBondContact NZ-OD2 3.03Å; N930-D951 PolarHBondContact ND2-OD2 2.85Å; N930-D951 PolarHBondContact OD1-OD2 3.42Å; S942-D951 PolarHBondContact O-N 3.38Å; N949-D951 PolarHBondContact O-N 2.8Å |
| 952 | W | 93.5 | Very high | 80.8 | Confident | 18 Ų | 18 | 50 Ų | 50 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 154.9 | 174.5 | 57.7 | -107.5 | 0 | 0 | 0 | 110.8 | I932 I940 R941 S942 I950 V978 L990 V992 V993 N994 G995 | I932-W952 HydrophobicContact CD1-CZ2 3.89Å; I932-W952 HydrophobicContact CG1-CH2 4.49Å; I932-W952 HydrophobicContact CG1-CZ2 4.06Å; I932-W952 HydrophobicContact CG2-CH2 4.06Å; I932-W952 HydrophobicContact CG2-CZ2 4.44Å; I940-W952 HydrophobicContact CB-CZ3 4.34Å; I940-W952 HydrophobicContact CG2-CH2 3.89Å; I940-W952 HydrophobicContact CG2-CZ3 3.82Å; R941-W952 WeakPolarHBondContact CA-O 3.48Å; S942-W952 PolarHBondContact N-O 3.04Å; I950-W952 WeakPolarHBondContact CG2-O 3.48Å; W952-V978 HydrophobicContact CH2-CG1 4.31Å; W952-L990 HydrophobicContact CH2-CD1 4.03Å; W952-L990 HydrophobicContact CZ3-CD1 3.89Å; W952-V992 PolarHBondContact NE1-O 2.84Å; W952-V993 PolarHBondContact NE1-O 3.08Å; W952-N994 WeakPolarHBondContact CB-O 3.28Å; W952-G995 VanDerWaalsContact CD2-CA 3.42Å; W952-G995 VanDerWaalsContact CE3-CA 3.49Å |
| 953 | S | 90.9 | Very high | 79.9 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 42% | 0.42 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 124.9 | 177.1 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | I940 R941 | I940-S953 WeakPolarHBondContact O-CA 3.4Å; R941-S953 WeakPolarHBondContact CG-OG 3.3Å; R941-S953 PolarHBondContact NE-OG 2.91Å; R941-S953 VanDerWaalsContact NE-OG 3.17Å |
| 954 | Y | 90 | Very high | 79.5 | Confident | 27 Ų | 27 | 51.3 Ų | 51.3 | 11% | 0.106 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 139 | 172.6 | 168.1 | -86.3 | 0 | 0 | 0 | 108.8 | I940 E959 F988 L990 L997 | I940-Y954 HydrophobicContact CD1-CD1 3.68Å; I940-Y954 HydrophobicContact CD1-CE1 4.08Å; I940-Y954 PolarHBondContact N-O 2.91Å; I940-Y954 PolarHBondContact O-N 2.97Å; Y954-E959 PolarHBondContact OH-OE2 3.32Å; Y954-F988 AromaticContact CE1-CE2 3.95Å; Y954-F988 HydrophobicContact CE1-CE2 3.95Å; Y954-L990 HydrophobicContact CD1-CD1 3.68Å; Y954-L990 HydrophobicContact CD1-CD2 3.84Å; Y954-L990 HydrophobicContact CD1-CG 4.38Å; Y954-L990 HydrophobicContact CD2-CD2 3.85Å; Y954-L990 HydrophobicContact CE1-CD1 4.38Å; Y954-L990 HydrophobicContact CE1-CD2 3.85Å; Y954-L990 HydrophobicContact CE2-CD2 3.89Å; Y954-L990 HydrophobicContact CG-CD1 3.78Å; Y954-L990 HydrophobicContact CG-CD2 3.82Å; Y954-L990 HydrophobicContact CG-CG 4.48Å; Y954-L997 HydrophobicContact CE2-CB 4.27Å |
| 955 | E | 85.3 | Confident | 79.4 | Confident | 83 Ų | 83 | 51 Ų | 51 | 39% | 0.388 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 121.9 | 176.7 | -58.3 | -154.2 | 154.4 | 0 | 0 | 111.1 | T939 R941 S957 | T939-E955 HydrophobicContact CG2-CB 4.39Å; T939-E955 HydrophobicContact CG2-CG 3.85Å; T939-E955 WeakPolarHBondContact CG2-OE1 3.4Å; R941-E955 IonicContact NH2-OE1 3.83Å; R941-E955 PolarHBondContact NH2-OE1 2.91Å; E955-S957 WeakPolarHBondContact CB-OG 3.4Å; E955-S957 PolarHBondContact O-N 3.1Å; E955-S957 PolarHBondContact OE2-OG 2.79Å |
| 956 | C | 75.6 | Confident | 79.4 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.014 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -4.7 | 168.3 | -72.7 | 0 | 0 | 0 | 0 | 114.1 | G938 Q958 E959 L960 | G938-C956 WeakPolarHBondContact O-CB 3.38Å; G938-C956 PolarHBondContact O-N 3.35Å; G938-C956 PolarHBondContact O-SG 3.43Å; C956-Q958 PolarHBondContact O-N 2.95Å; C956-E959 PolarHBondContact O-N 2.97Å; C956-L960 HydrophobicContact CB-CB 3.89Å; C956-L960 CarbonylContact O-C 3.17Å; C956-L960 VanDerWaalsContact O-CA 3.28Å; C956-L960 WeakPolarHBondContact O-CA 3.43Å; C956-L960 PolarHBondContact O-N 2.84Å |
| 957 | S | 60 | Low | 79.7 | Confident | 71 Ų | 71 | 51.3 Ų | 51.3 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -25.6 | -174.8 | 52.8 | 0 | 0 | 0 | 0 | 113.9 | E955 | E955-S957 WeakPolarHBondContact CB-OG 3.4Å; E955-S957 PolarHBondContact O-N 3.1Å; E955-S957 PolarHBondContact OE2-OG 2.79Å |
| 958 | Q | 59.3 | Low | 79.9 | Confident | 183 Ų | 183 | 49 Ų | 49 | 86% | 0.855 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -31.1 | 178.8 | -61.6 | -172.8 | 5.1 | 0 | 0 | 113.8 | C956 | C956-Q958 PolarHBondContact O-N 2.95Š|
| 959 | E | 59.8 | Low | 80.1 | Confident | 72 Ų | 72 | 49.4 Ų | 49.4 | 34% | 0.336 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | -21.6 | -168 | -64.2 | 178.2 | 117.4 | 0 | 0 | 113.5 | Y954 C956 M1000 | Y954-E959 PolarHBondContact OH-OE2 3.32Å; C956-E959 PolarHBondContact O-N 2.97Å; E959-M1000 HydrophobicContact CB-CE 4.16Å |
| 960 | L | 63.8 | Low | 80.1 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -140.9 | 46.2 | -170.1 | -67.7 | 177.1 | 0 | 0 | 0 | 110.9 | C956 G962 H963 T982 F986 F988 M1000 | C956-L960 HydrophobicContact CB-CB 3.89Å; C956-L960 CarbonylContact O-C 3.17Å; C956-L960 VanDerWaalsContact O-CA 3.28Å; C956-L960 WeakPolarHBondContact O-CA 3.43Å; C956-L960 PolarHBondContact O-N 2.84Å; L960-G962 PolarHBondContact O-N 3.03Å; L960-H963 HydrophobicContact CB-CB 4.11Å; L960-H963 VanDerWaalsContact O-CB 3.28Å; L960-H963 WeakPolarHBondContact O-CB 3.32Å; L960-H963 PolarHBondContact O-CD2 3.16Å; L960-H963 VanDerWaalsContact O-CD2 3.22Å; L960-H963 PolarHBondContact O-N 3.3Å; L960-T982 HydrophobicContact CD1-CG2 4.36Å; L960-F986 HydrophobicContact CD1-CB 4.35Å; L960-F986 HydrophobicContact CD2-CB 3.98Å; L960-F986 HydrophobicContact CD2-CD1 3.41Å; L960-F986 VanDerWaalsContact CD2-CD1 3.41Å; L960-F986 HydrophobicContact CD2-CD2 3.72Å; L960-F986 HydrophobicContact CD2-CE1 3.65Å; L960-F986 HydrophobicContact CD2-CE2 3.94Å; L960-F986 HydrophobicContact CD2-CG 3.42Å; L960-F986 VanDerWaalsContact CD2-CG 3.42Å; L960-F986 HydrophobicContact CD2-CZ 3.91Å; L960-F988 HydrophobicContact CD1-CD1 4.2Å; L960-F988 HydrophobicContact CD1-CE1 4.29Å; L960-M1000 HydrophobicContact CD1-SD 3.74Å; L960-M1000 HydrophobicContact CD2-SD 3.75Å; L960-M1000 HydrophobicContact CG-SD 3.75Å |
| 961 | G | 60.9 | Low | 80 | Confident | 53 Ų | 53 | 42.6 Ų | 42.6 | 55% | 0.546 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 118.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 962 | G | 67.5 | Low | 79.8 | Confident | 67 Ų | 67 | 39.9 Ų | 39.9 | 69% | 0.691 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 25.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L960 K984 | L960-G962 PolarHBondContact O-N 3.03Å; G962-K984 WeakPolarHBondContact O-CE 3.48Å; G962-K984 PolarHBondContact O-NZ 3Å |
| 963 | H | 74.7 | Confident | 79 | Confident | 28 Ų | 28 | 41 Ų | 41 | 13% | 0.13 | 25% | 0.249 | C | C | . | . | trans | -88.8 | 144.9 | 164.8 | -70 | -126.4 | 0 | 0 | 0 | 109.2 | L960 T982 K984 F986 | L960-H963 HydrophobicContact CB-CB 4.11Å; L960-H963 VanDerWaalsContact O-CB 3.28Å; L960-H963 WeakPolarHBondContact O-CB 3.32Å; L960-H963 PolarHBondContact O-CD2 3.16Å; L960-H963 VanDerWaalsContact O-CD2 3.22Å; L960-H963 PolarHBondContact O-N 3.3Å; H963-T982 HydrophobicContact CB-CG2 4.21Å; H963-K984 VanDerWaalsContact CE1-CB 3.44Å; H963-K984 WeakPolarHBondContact CE1-CB 3.27Å; H963-K984 WeakPolarHBondContact ND1-CB 3.36Å; H963-K984 WeakPolarHBondContact NE2-CD 3.41Å; H963-F986 AromaticContact CE1-CD2 3.36Å; H963-F986 WeakPolarHBondContact CE1-CD2 3.38Å; H963-F986 AromaticContact CE1-CE2 3.47Å; H963-F986 VanDerWaalsContact CE1-CE2 3.47Å; H963-F986 WeakPolarHBondContact CE1-CE2 3.38Å; H963-F986 AromaticContact ND1-CD2 3.63Å | ||
| 964 | A | 82.7 | Confident | 78.2 | Confident | 12 Ų | 12 | 41.9 Ų | 41.9 | 10% | 0.099 | 25% | 0.246 | C | C | . | . | trans | -117.8 | 142.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | V936 F966 T982 N983 | V936-A964 HydrophobicContact CG1-CB 4.09Å; V936-A964 VanDerWaalsContact O-CA 3.22Å; V936-A964 WeakPolarHBondContact O-CA 3.47Å; V936-A964 WeakPolarHBondContact O-CB 3.16Å; A964-F966 HydrophobicContact CB-CD2 4.36Å; A964-F966 HydrophobicContact CB-CE2 3.62Å; A964-F966 HydrophobicContact CB-CZ 4.08Å; A964-T982 WeakPolarHBondContact O-CA 3.4Å; A964-N983 HydrophobicContact CB-CB 4.49Å; A964-N983 PolarHBondContact N-OD1 3.11Å; A964-N983 WeakPolarHBondContact O-CB 3.48Å; A964-N983 PolarHBondContact O-N 3.42Å; A964-N983 PolarHBondContact O-OD1 2.87Å | ||
| 965 | I | 87.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -106 | 124.1 | 177.7 | -57 | 170.6 | 0 | 0 | 0 | 108.4 | A934 I940 L980 T982 F988 | A934-I965 HydrophobicContact CB-CB 4.19Å; A934-I965 HydrophobicContact CB-CD1 4.22Å; A934-I965 HydrophobicContact CB-CG2 3.63Å; I940-I965 HydrophobicContact CD1-CD1 3.69Å; I940-I965 HydrophobicContact CG1-CD1 4Å; I965-L980 HydrophobicContact CG2-CD2 4.26Å; I965-T982 HydrophobicContact CG1-CG2 4.25Å; I965-F988 HydrophobicContact CD1-CE1 4.26Å; I965-F988 HydrophobicContact CD1-CZ 3.88Å | ||
| 966 | F | 86.8 | Confident | 77.4 | Confident | 90 Ų | 90 | 43.1 Ų | 43.1 | 40% | 0.395 | 26% | 0.257 | S | S | . | . | trans | -122.5 | -18.3 | 171.9 | -60.6 | -82.1 | 0 | 0 | 0 | 111.9 | F916 V936 A964 N983 | F916-F966 HydrophobicContact CB-CD1 4.13Å; F916-F966 HydrophobicContact CD1-CD1 4.32Å; F916-F966 AromaticContact CD2-CD1 3.93Å; F916-F966 HydrophobicContact CD2-CD1 3.93Å; F916-F966 HydrophobicContact CD2-CE1 4Å; F916-F966 HydrophobicContact CE2-CD1 4.37Å; F916-F966 HydrophobicContact CE2-CE1 4.03Å; F916-F966 AromaticContact CG-CD1 3.89Å; F916-F966 HydrophobicContact CG-CD1 3.89Å; F916-F966 HydrophobicContact CG-CE1 4.36Å; F916-F966 HydrophobicContact CZ-CE1 4.43Å; V936-F966 HydrophobicContact CG1-CE1 4.16Å; V936-F966 HydrophobicContact CG1-CZ 4.02Å; V936-F966 HydrophobicContact CG2-CD1 3.97Å; V936-F966 HydrophobicContact CG2-CE1 3.63Å; V936-F966 HydrophobicContact CG2-CZ 4.26Å; A964-F966 HydrophobicContact CB-CD2 4.36Å; A964-F966 HydrophobicContact CB-CE2 3.62Å; A964-F966 HydrophobicContact CB-CZ 4.08Å; F966-N983 HydrophobicContact CD2-CB 4Å; F966-N983 HydrophobicContact CE2-CB 3.96Å | ||
| 967 | S | 88 | Confident | 77.9 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -69.1 | 156.3 | 175.1 | 63.3 | 0 | 0 | 0 | 0 | 112 | S917 S981 T1017 | S917-S967 VanDerWaalsContact CB-O 3.3Å; S917-S967 WeakPolarHBondContact CB-O 3.4Å; S967-S981 WeakPolarHBondContact CB-OG 3.22Å; S967-S981 PolarHBondContact OG-N 3.13Å; S967-S981 PolarHBondContact OG-O 3.38Å; S967-S981 VanDerWaalsContact OG-O 3.05Å; S967-S981 PolarHBondContact OG-OG 3.48Å; S967-T1017 WeakPolarHBondContact CA-OG1 3.49Å |
| 968 | D | 91.1 | Very high | 79.4 | Confident | 17 Ų | 17 | 40.2 Ų | 40.2 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 140.3 | 174.1 | -44.1 | -71.2 | 0 | 0 | 0 | 111.3 | H701 K918 V970 T1017 | H701-D968 IonicContact CD2-OD2 3.38Å; H701-D968 PolarHBondContact CD2-OD2 3.11Å; H701-D968 IonicContact NE2-OD2 3.26Å; K918-D968 HydrophobicContact CB-CB 4.06Å; K918-D968 WeakPolarHBondContact CB-OD1 3.26Å; K918-D968 PolarHBondContact N-OD1 2.85Å; D968-V970 PolarHBondContact O-N 3.42Å; D968-T1017 HydrophobicContact CB-CG2 3.73Å; D968-T1017 PolarHBondContact N-OG1 3.43Å; D968-T1017 WeakPolarHBondContact OD2-CB 3.28Å; D968-T1017 VanDerWaalsContact OD2-CG2 3.31Å; D968-T1017 WeakPolarHBondContact OD2-CG2 3.34Å; D968-T1017 PolarHBondContact OD2-OG1 3.09Å |
| 969 | P | 92.3 | Very high | 80.8 | Confident | 10 Ų | 10 | 31.5 Ų | 31.5 | 7% | 0.065 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -60.1 | 120.4 | 166 | 19.3 | -29.1 | 0 | 0 | 0 | 111.6 | K918 L920 V978 L980 | K918-P969 VanDerWaalsContact O-CD 3.29Å; K918-P969 WeakPolarHBondContact O-CD 3.34Å; K918-P969 WeakPolarHBondContact O-CG 3.32Å; L920-P969 HydrophobicContact CB-CB 3.92Å; L920-P969 HydrophobicContact CB-CG 3.7Å; L920-P969 HydrophobicContact CD2-CB 4.16Å; P969-V978 HydrophobicContact CB-CG2 3.41Å; P969-V978 VanDerWaalsContact CB-CG2 3.41Å; P969-L980 HydrophobicContact CB-CD2 3.99Å |
| 970 | V | 90.7 | Very high | 82.3 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.3 | -179.5 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | D968 V978 I979 T1017 P1018 L1020 | D968-V970 PolarHBondContact O-N 3.42Å; V970-V978 WeakPolarHBondContact O-CA 3.41Å; V970-I979 PolarHBondContact N-O 3.42Å; V970-I979 PolarHBondContact O-N 2.8Å; V970-T1017 HydrophobicContact CG2-CG2 3.94Å; V970-P1018 HydrophobicContact CG2-CG 4.02Å; V970-L1020 HydrophobicContact CG1-CD1 3.81Å; V970-L1020 HydrophobicContact CG1-CG 3.93Å |
| 971 | L | 88.9 | Confident | 83.5 | Confident | 28 Ų | 28 | 28 Ų | 28 | 15% | 0.147 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 113.2 | -178.9 | -177.5 | 62.9 | 0 | 0 | 0 | 111.7 | V704 L920 Y922 A973 V992 | V704-L971 WeakPolarHBondContact CG2-O 3.46Å; L920-L971 HydrophobicContact CD1-CB 3.95Å; L920-L971 HydrophobicContact CD2-CB 3.96Å; L920-L971 HydrophobicContact CD2-CD1 4.49Å; Y922-L971 HydrophobicContact CD2-CD1 4.26Å; Y922-L971 HydrophobicContact CD2-CD2 4.17Å; L971-A973 PolarHBondContact O-N 3.17Å; L971-V992 HydrophobicContact CD1-CB 4.39Å; L971-V992 HydrophobicContact CD1-CG2 3.93Å |
| 972 | D | 85.2 | Confident | 84.7 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 98.6 | 159.4 | 179.9 | 8.5 | 0 | 0 | 0 | 109.7 | Q974 S975 H976 N977 I979 L1020 Q1022 S1027 | D972-Q974 VanDerWaalsContact C-N 3.28Å; D972-Q974 PolarHBondContact O-N 3.39Å; D972-Q974 WeakPolarHBondContact OD1-CB 3.43Å; D972-Q974 PolarHBondContact OD1-N 2.71Å; D972-S975 VanDerWaalsContact CG-OG 3.24Å; D972-S975 PolarHBondContact OD1-N 3.2Å; D972-S975 VanDerWaalsContact OD2-CB 3.29Å; D972-S975 WeakPolarHBondContact OD2-CB 3.4Å; D972-S975 PolarHBondContact OD2-OG 3.03Å; D972-H976 PolarHBondContact O-N 3.49Å; D972-H976 VanDerWaalsContact O-N 3.09Å; D972-N977 PolarHBondContact N-O 3.17Å; D972-N977 PolarHBondContact O-N 3.02Å; D972-N977 VanDerWaalsContact O-N 3.11Å; D972-I979 HydrophobicContact CB-CD1 4.07Å; D972-L1020 HydrophobicContact CB-CD1 3.86Å; D972-Q1022 PolarHBondContact OD1-NE2 2.62Å; D972-S1027 PolarHBondContact OD1-OG 2.79Å |
| 973 | A | 77.1 | Confident | 85.3 | Confident | 43 Ų | 43 | 24.8 Ų | 24.8 | 36% | 0.355 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -12.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L971 | L971-A973 PolarHBondContact O-N 3.17Š|
| 974 | Q | 73.7 | Confident | 85.4 | Confident | 78 Ų | 78 | 26.4 Ų | 26.4 | 36% | 0.364 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -42.4 | 173.7 | -74.8 | 176.4 | -11.8 | 0 | 0 | 111.1 | D972 Q1022 H1026 S1027 | D972-Q974 VanDerWaalsContact C-N 3.28Å; D972-Q974 PolarHBondContact O-N 3.39Å; D972-Q974 WeakPolarHBondContact OD1-CB 3.43Å; D972-Q974 PolarHBondContact OD1-N 2.71Å; Q974-Q1022 HydrophobicContact CG-CG 4.42Å; Q974-H1026 PolarHBondContact OE1-O 3.3Å; Q974-S1027 PolarHBondContact OE1-OG 2.62Å |
| 975 | S | 75.6 | Confident | 85.3 | Confident | 40 Ų | 40 | 26 Ų | 26 | 28% | 0.28 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 4.4 | -178.1 | 71.4 | 0 | 0 | 0 | 0 | 114.8 | D972 N977 | D972-S975 VanDerWaalsContact CG-OG 3.24Å; D972-S975 PolarHBondContact OD1-N 3.2Å; D972-S975 VanDerWaalsContact OD2-CB 3.29Å; D972-S975 WeakPolarHBondContact OD2-CB 3.4Å; D972-S975 PolarHBondContact OD2-OG 3.03Å; S975-N977 VanDerWaalsContact C-N 3.29Å; S975-N977 WeakPolarHBondContact CB-ND2 3.32Å; S975-N977 PolarHBondContact O-N 2.99Å; S975-N977 PolarHBondContact O-ND2 3.08Å; S975-N977 VanDerWaalsContact O-ND2 3.13Å; S975-N977 PolarHBondContact OG-ND2 3.41Å |
| 976 | H | 83.1 | Confident | 85 | Confident | 95 Ų | 95 | 26.9 Ų | 26.9 | 44% | 0.44 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 40.6 | -175.5 | -69.8 | -92.9 | 0 | 0 | 0 | 113.4 | D972 V992 | D972-H976 PolarHBondContact O-N 3.49Å; D972-H976 VanDerWaalsContact O-N 3.09Å; H976-V992 HydrophobicContact CB-CG1 4.33Å; H976-V992 WeakPolarHBondContact O-CG1 3.49Å; H976-V992 PolarHBondContact O-N 3.1Å |
| 977 | N | 87.2 | Confident | 84.9 | Confident | 12 Ų | 12 | 22.6 Ų | 22.6 | 6% | 0.064 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 145.7 | -175.3 | -73.9 | -48.3 | 0 | 0 | 0 | 112.5 | D972 S975 A989 L990 N991 A998 | D972-N977 PolarHBondContact N-O 3.17Å; D972-N977 PolarHBondContact O-N 3.02Å; D972-N977 VanDerWaalsContact O-N 3.11Å; S975-N977 VanDerWaalsContact C-N 3.29Å; S975-N977 WeakPolarHBondContact CB-ND2 3.32Å; S975-N977 PolarHBondContact O-N 2.99Å; S975-N977 PolarHBondContact O-ND2 3.08Å; S975-N977 VanDerWaalsContact O-ND2 3.13Å; S975-N977 PolarHBondContact OG-ND2 3.41Å; N977-A989 HydrophobicContact CB-CB 4.04Å; N977-L990 CarbonylContact C-O 3.55Å; N977-L990 VanDerWaalsContact CA-O 3.31Å; N977-L990 WeakPolarHBondContact CA-O 3.36Å; N977-L990 PolarHBondContact OD1-O 3.46Å; N977-N991 WeakPolarHBondContact OD1-CA 3.47Å; N977-A998 VanDerWaalsContact OD1-CB 3.27Å; N977-A998 WeakPolarHBondContact OD1-CB 3.42Å |
| 978 | V | 90.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 118.8 | 163.8 | 56.7 | 0 | 0 | 0 | 0 | 109.2 | L920 I932 W952 P969 V970 L980 A989 L990 | L920-V978 HydrophobicContact CD2-CB 4.12Å; L920-V978 HydrophobicContact CD2-CG2 3.61Å; I932-V978 HydrophobicContact CD1-CG1 4.47Å; I932-V978 HydrophobicContact CG2-CG2 4.42Å; W952-V978 HydrophobicContact CH2-CG1 4.31Å; P969-V978 HydrophobicContact CB-CG2 3.41Å; P969-V978 VanDerWaalsContact CB-CG2 3.41Å; V970-V978 WeakPolarHBondContact O-CA 3.41Å; V978-L980 HydrophobicContact CG2-CD1 4.47Å; V978-L980 HydrophobicContact CG2-CG 4.48Å; V978-A989 WeakPolarHBondContact O-CA 3.43Å; V978-L990 HydrophobicContact CG1-CB 3.94Å; V978-L990 PolarHBondContact N-O 3.2Å; V978-L990 PolarHBondContact O-N 3.31Å |
| 979 | I | 90.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 135 | -177.7 | -56.4 | 174.6 | 0 | 0 | 0 | 109.4 | V970 D972 L987 F988 A989 W999 L1020 L1029 L1043 | V970-I979 PolarHBondContact N-O 3.42Å; V970-I979 PolarHBondContact O-N 2.8Å; D972-I979 HydrophobicContact CB-CD1 4.07Å; I979-L987 HydrophobicContact CG2-CD1 3.81Å; I979-L987 HydrophobicContact CG2-CG 4.42Å; I979-F988 WeakPolarHBondContact CA-O 3.4Å; I979-A989 HydrophobicContact CG1-CB 4.36Å; I979-W999 HydrophobicContact CD1-CH2 4.29Å; I979-W999 HydrophobicContact CD1-CZ2 4.1Å; I979-W999 HydrophobicContact CG1-CH2 4.18Å; I979-W999 HydrophobicContact CG1-CZ2 4.1Å; I979-W999 HydrophobicContact CG2-CH2 3.99Å; I979-L1020 HydrophobicContact CD1-CD1 4.26Å; I979-L1020 HydrophobicContact CD1-CD2 4.08Å; I979-L1029 HydrophobicContact CD1-CD1 4.26Å; I979-L1029 HydrophobicContact CG2-CD1 3.89Å; I979-L1043 HydrophobicContact CD1-CD1 3.46Å; I979-L1043 VanDerWaalsContact CD1-CD1 3.46Å; I979-L1043 HydrophobicContact CD1-CD2 4.48Å |
| 980 | L | 90.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 147.2 | -173.3 | -72.3 | 146 | 0 | 0 | 0 | 110 | A934 I940 I965 P969 V978 L987 F988 L990 | A934-L980 HydrophobicContact CB-CD2 3.7Å; I940-L980 HydrophobicContact CD1-CD1 4.25Å; I940-L980 HydrophobicContact CG1-CD1 3.87Å; I940-L980 HydrophobicContact CG1-CD2 4.43Å; I940-L980 HydrophobicContact CG2-CD1 4.17Å; I965-L980 HydrophobicContact CG2-CD2 4.26Å; P969-L980 HydrophobicContact CB-CD2 3.99Å; V978-L980 HydrophobicContact CG2-CD1 4.47Å; V978-L980 HydrophobicContact CG2-CG 4.48Å; L980-L987 WeakPolarHBondContact O-CA 3.46Å; L980-F988 HydrophobicContact CB-CD1 4.18Å; L980-F988 HydrophobicContact CB-CD2 4.41Å; L980-F988 HydrophobicContact CB-CE1 3.64Å; L980-F988 HydrophobicContact CB-CE2 3.91Å; L980-F988 HydrophobicContact CB-CZ 3.49Å; L980-F988 VanDerWaalsContact CB-CZ 3.49Å; L980-F988 HydrophobicContact CD1-CD2 4.48Å; L980-F988 HydrophobicContact CD1-CE2 3.66Å; L980-F988 HydrophobicContact CD1-CZ 3.83Å; L980-F988 HydrophobicContact CG-CE2 4.43Å; L980-F988 HydrophobicContact CG-CZ 4.25Å; L980-F988 PolarHBondContact N-O 3.26Å; L980-F988 PolarHBondContact O-N 2.89Å; L980-L990 HydrophobicContact CD1-CD1 4.19Å; L980-L990 HydrophobicContact CD1-CG 4.33Å |
| 981 | S | 88.7 | Confident | 84.4 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 153.6 | 178.6 | 87.3 | 0 | 0 | 0 | 0 | 111.7 | S967 F986 L1015 N1016 | S967-S981 WeakPolarHBondContact CB-OG 3.22Å; S967-S981 PolarHBondContact OG-N 3.13Å; S967-S981 PolarHBondContact OG-O 3.38Å; S967-S981 VanDerWaalsContact OG-O 3.05Å; S967-S981 PolarHBondContact OG-OG 3.48Å; S981-F986 CarbonylContact C-O 3.55Å; S981-F986 WeakPolarHBondContact CA-O 3.41Å; S981-L1015 WeakPolarHBondContact OG-CB 3.35Å; S981-N1016 PolarHBondContact OG-O 3.05Å |
| 982 | T | 85.4 | Confident | 84.4 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | trans | -117.5 | 157.1 | -176.1 | 73.3 | 0 | 0 | 0 | 0 | 113.3 | L960 H963 A964 I965 K984 G985 F986 F988 L1015 | L960-T982 HydrophobicContact CD1-CG2 4.36Å; H963-T982 HydrophobicContact CB-CG2 4.21Å; A964-T982 WeakPolarHBondContact O-CA 3.4Å; I965-T982 HydrophobicContact CG1-CG2 4.25Å; T982-K984 PolarHBondContact O-N 3.22Å; T982-G985 PolarHBondContact O-N 3.09Å; T982-F986 HydrophobicContact CG2-CB 4.21Å; T982-F986 PolarHBondContact N-O 3.14Å; T982-F986 WeakPolarHBondContact OG1-CB 3.45Å; T982-F986 PolarHBondContact OG1-N 2.88Å; T982-F986 VanDerWaalsContact OG1-N 3.09Å; T982-F986 PolarHBondContact OG1-O 3Å; T982-F988 HydrophobicContact CG2-CD1 4.47Å; T982-F988 HydrophobicContact CG2-CE1 3.95Å; T982-L1015 PolarHBondContact O-N 2.87Å | ||
| 983 | N | 81.7 | Confident | 84.5 | Confident | 52 Ų | 52 | 24.8 Ų | 24.8 | 28% | 0.278 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -0.1 | 177.8 | 77.7 | -32.6 | 0 | 0 | 0 | 115.6 | A964 F966 S1014 | A964-N983 HydrophobicContact CB-CB 4.49Å; A964-N983 PolarHBondContact N-OD1 3.11Å; A964-N983 WeakPolarHBondContact O-CB 3.48Å; A964-N983 PolarHBondContact O-N 3.42Å; A964-N983 PolarHBondContact O-OD1 2.87Å; F966-N983 HydrophobicContact CD2-CB 4Å; F966-N983 HydrophobicContact CE2-CB 3.96Å; N983-S1014 WeakPolarHBondContact CA-OG 3.37Å |
| 984 | K | 76.8 | Confident | 85 | Confident | 63 Ų | 63 | 26.4 Ų | 26.4 | 27% | 0.274 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129 | 17.7 | -175.6 | -80.9 | 175.5 | 170.4 | 176.8 | 0 | 112.5 | G962 H963 T982 T1004 C1013 | G962-K984 WeakPolarHBondContact O-CE 3.48Å; G962-K984 PolarHBondContact O-NZ 3Å; H963-K984 VanDerWaalsContact CE1-CB 3.44Å; H963-K984 WeakPolarHBondContact CE1-CB 3.27Å; H963-K984 WeakPolarHBondContact ND1-CB 3.36Å; H963-K984 WeakPolarHBondContact NE2-CD 3.41Å; T982-K984 PolarHBondContact O-N 3.22Å; K984-T1004 WeakPolarHBondContact O-CG2 3.47Å; K984-C1013 CarbonylContact C-O 3.59Å |
| 985 | G | 79 | Confident | 85.7 | Confident | 2 Ų | 2 | 22.9 Ų | 22.9 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 77.9 | 47.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T982 W1003 T1004 C1013 | T982-G985 PolarHBondContact O-N 3.09Å; G985-W1003 CarbonylContact O-C 3.13Å; G985-W1003 VanDerWaalsContact O-C 3.25Å; G985-W1003 WeakPolarHBondContact O-CA 3.48Å; G985-W1003 VanDerWaalsContact O-CB 3.3Å; G985-W1003 WeakPolarHBondContact O-CB 3.21Å; G985-W1003 PolarHBondContact O-N 3.46Å; G985-T1004 PolarHBondContact O-N 2.91Å; G985-C1013 PolarHBondContact N-O 2.78Å |
| 986 | F | 82.2 | Confident | 86.3 | Confident | 19 Ų | 19 | 26 Ų | 26 | 8% | 0.083 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 140.6 | 162.2 | -80.5 | -100.1 | 0 | 0 | 0 | 109.8 | L960 H963 S981 T982 M1000 D1002 T1004 | L960-F986 HydrophobicContact CD1-CB 4.35Å; L960-F986 HydrophobicContact CD2-CB 3.98Å; L960-F986 HydrophobicContact CD2-CD1 3.41Å; L960-F986 VanDerWaalsContact CD2-CD1 3.41Å; L960-F986 HydrophobicContact CD2-CD2 3.72Å; L960-F986 HydrophobicContact CD2-CE1 3.65Å; L960-F986 HydrophobicContact CD2-CE2 3.94Å; L960-F986 HydrophobicContact CD2-CG 3.42Å; L960-F986 VanDerWaalsContact CD2-CG 3.42Å; L960-F986 HydrophobicContact CD2-CZ 3.91Å; H963-F986 AromaticContact CE1-CD2 3.36Å; H963-F986 WeakPolarHBondContact CE1-CD2 3.38Å; H963-F986 AromaticContact CE1-CE2 3.47Å; H963-F986 VanDerWaalsContact CE1-CE2 3.47Å; H963-F986 WeakPolarHBondContact CE1-CE2 3.38Å; H963-F986 AromaticContact ND1-CD2 3.63Å; S981-F986 CarbonylContact C-O 3.55Å; S981-F986 WeakPolarHBondContact CA-O 3.41Å; T982-F986 HydrophobicContact CG2-CB 4.21Å; T982-F986 PolarHBondContact N-O 3.14Å; T982-F986 WeakPolarHBondContact OG1-CB 3.45Å; T982-F986 PolarHBondContact OG1-N 2.88Å; T982-F986 VanDerWaalsContact OG1-N 3.09Å; T982-F986 PolarHBondContact OG1-O 3Å; F986-M1000 HydrophobicContact CD1-CG 4.01Å; F986-M1000 HydrophobicContact CD1-SD 3.97Å; F986-M1000 HydrophobicContact CE1-SD 4.35Å; F986-D1002 HydrophobicContact CD1-CB 4.09Å; F986-D1002 HydrophobicContact CE1-CB 3.53Å; F986-D1002 HydrophobicContact CZ-CB 3.92Å; F986-D1002 WeakPolarHBondContact CZ-OD2 3.23Å; F986-T1004 HydrophobicContact CD2-CG2 4.03Å; F986-T1004 HydrophobicContact CE2-CG2 3.51Å; F986-T1004 HydrophobicContact CZ-CG2 4.35Å |
| 987 | L | 84.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 126.7 | 177.1 | -178.7 | 72.8 | 0 | 0 | 0 | 107.5 | I979 L980 W999 L1001 L1015 L1029 | I979-L987 HydrophobicContact CG2-CD1 3.81Å; I979-L987 HydrophobicContact CG2-CG 4.42Å; L980-L987 WeakPolarHBondContact O-CA 3.46Å; L987-W999 HydrophobicContact CG-CH2 4.42Å; L987-W999 HydrophobicContact CG-CZ3 4.17Å; L987-L1001 HydrophobicContact CB-CB 4.45Å; L987-L1001 HydrophobicContact CD2-CD1 4.25Å; L987-L1001 PolarHBondContact N-O 3.16Å; L987-L1001 WeakPolarHBondContact O-CA 3.39Å; L987-L1001 WeakPolarHBondContact O-CB 3Å; L987-L1001 PolarHBondContact O-N 3.02Å; L987-L1015 HydrophobicContact CB-CD1 3.98Å; L987-L1029 HydrophobicContact CD1-CD1 4.2Å; L987-L1029 HydrophobicContact CD2-CD1 4.11Å; L987-L1029 HydrophobicContact CD2-CD2 4.03Å |
| 988 | F | 85.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 161.3 | -174.9 | 66.8 | -80.7 | 0 | 0 | 0 | 111.9 | I940 Y954 L960 I965 I979 L980 T982 L990 L997 W999 M1000 | I940-F988 HydrophobicContact CD1-CE2 4.04Å; I940-F988 HydrophobicContact CD1-CZ 3.84Å; Y954-F988 AromaticContact CE1-CE2 3.95Å; Y954-F988 HydrophobicContact CE1-CE2 3.95Å; L960-F988 HydrophobicContact CD1-CD1 4.2Å; L960-F988 HydrophobicContact CD1-CE1 4.29Å; I965-F988 HydrophobicContact CD1-CE1 4.26Å; I965-F988 HydrophobicContact CD1-CZ 3.88Å; I979-F988 WeakPolarHBondContact CA-O 3.4Å; L980-F988 HydrophobicContact CB-CD1 4.18Å; L980-F988 HydrophobicContact CB-CD2 4.41Å; L980-F988 HydrophobicContact CB-CE1 3.64Å; L980-F988 HydrophobicContact CB-CE2 3.91Å; L980-F988 HydrophobicContact CB-CZ 3.49Å; L980-F988 VanDerWaalsContact CB-CZ 3.49Å; L980-F988 HydrophobicContact CD1-CD2 4.48Å; L980-F988 HydrophobicContact CD1-CE2 3.66Å; L980-F988 HydrophobicContact CD1-CZ 3.83Å; L980-F988 HydrophobicContact CG-CE2 4.43Å; L980-F988 HydrophobicContact CG-CZ 4.25Å; L980-F988 PolarHBondContact N-O 3.26Å; L980-F988 PolarHBondContact O-N 2.89Å; T982-F988 HydrophobicContact CG2-CD1 4.47Å; T982-F988 HydrophobicContact CG2-CE1 3.95Å; F988-L990 HydrophobicContact CD2-CD2 4Å; F988-L990 HydrophobicContact CD2-CG 4.26Å; F988-L990 HydrophobicContact CE2-CD1 4.41Å; F988-L990 HydrophobicContact CE2-CD2 4.06Å; F988-L990 HydrophobicContact CE2-CG 4.08Å; F988-L997 HydrophobicContact CB-CD1 4.19Å; F988-L997 HydrophobicContact CD2-CD1 4.18Å; F988-W999 WeakPolarHBondContact CA-O 3.31Å; F988-M1000 HydrophobicContact CB-CB 4.1Å; F988-M1000 HydrophobicContact CB-CG 4.05Å |
| 989 | A | 87.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 132.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | N977 V978 I979 A998 W999 | N977-A989 HydrophobicContact CB-CB 4.04Å; V978-A989 WeakPolarHBondContact O-CA 3.43Å; I979-A989 HydrophobicContact CG1-CB 4.36Å; A989-A998 HydrophobicContact CB-CB 4.27Å; A989-A998 PolarHBondContact O-N 2.79Å; A989-W999 HydrophobicContact CB-CD2 3.6Å; A989-W999 HydrophobicContact CB-CE3 4.02Å; A989-W999 HydrophobicContact CB-CG 4.13Å; A989-W999 HydrophobicContact CB-CH2 3.93Å; A989-W999 HydrophobicContact CB-CZ2 3.49Å; A989-W999 VanDerWaalsContact CB-CZ2 3.49Å; A989-W999 HydrophobicContact CB-CZ3 4.16Å; A989-W999 PolarHBondContact N-O 2.88Å |
| 990 | L | 89.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 143 | 165.8 | -50.8 | -179.7 | 0 | 0 | 0 | 109.1 | I940 W952 Y954 N977 V978 L980 F988 V992 N996 L997 | I940-L990 HydrophobicContact CB-CD1 4.07Å; I940-L990 HydrophobicContact CD1-CD1 4.38Å; I940-L990 HydrophobicContact CG2-CD1 4.09Å; W952-L990 HydrophobicContact CH2-CD1 4.03Å; W952-L990 HydrophobicContact CZ3-CD1 3.89Å; Y954-L990 HydrophobicContact CD1-CD1 3.68Å; Y954-L990 HydrophobicContact CD1-CD2 3.84Å; Y954-L990 HydrophobicContact CD1-CG 4.38Å; Y954-L990 HydrophobicContact CD2-CD2 3.85Å; Y954-L990 HydrophobicContact CE1-CD1 4.38Å; Y954-L990 HydrophobicContact CE1-CD2 3.85Å; Y954-L990 HydrophobicContact CE2-CD2 3.89Å; Y954-L990 HydrophobicContact CG-CD1 3.78Å; Y954-L990 HydrophobicContact CG-CD2 3.82Å; Y954-L990 HydrophobicContact CG-CG 4.48Å; N977-L990 CarbonylContact C-O 3.55Å; N977-L990 VanDerWaalsContact CA-O 3.31Å; N977-L990 WeakPolarHBondContact CA-O 3.36Å; N977-L990 PolarHBondContact OD1-O 3.46Å; V978-L990 HydrophobicContact CG1-CB 3.94Å; V978-L990 PolarHBondContact N-O 3.2Å; V978-L990 PolarHBondContact O-N 3.31Å; L980-L990 HydrophobicContact CD1-CD1 4.19Å; L980-L990 HydrophobicContact CD1-CG 4.33Å; F988-L990 HydrophobicContact CD2-CD2 4Å; F988-L990 HydrophobicContact CD2-CG 4.26Å; F988-L990 HydrophobicContact CE2-CD1 4.41Å; F988-L990 HydrophobicContact CE2-CD2 4.06Å; F988-L990 HydrophobicContact CE2-CG 4.08Å; L990-V992 PolarHBondContact O-N 3.25Å; L990-N996 CarbonylContact C-O 3.58Å; L990-N996 WeakPolarHBondContact CA-O 3.23Å; L990-L997 HydrophobicContact CD2-CB 4.37Å; L990-L997 HydrophobicContact CD2-CD1 3.99Å |
| 991 | N | 88.7 | Confident | 84.6 | Confident | 41 Ų | 41 | 23.8 Ų | 23.8 | 22% | 0.219 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 126.4 | 167.8 | 176.2 | -87.6 | 0 | 0 | 0 | 109.4 | N977 V993 N994 G995 N996 | N977-N991 WeakPolarHBondContact OD1-CA 3.47Å; N991-V993 PolarHBondContact O-N 3.29Å; N991-V993 WeakPolarHBondContact OD1-CB 3.43Å; N991-V993 PolarHBondContact OD1-N 3.09Å; N991-V993 VanDerWaalsContact OD1-N 3.1Å; N991-N994 WeakPolarHBondContact CB-OD1 3.45Å; N991-N994 PolarHBondContact OD1-N 3.41Å; N991-N994 PolarHBondContact OD1-ND2 3.5Å; N991-N994 PolarHBondContact OD1-OD1 3.21Å; N991-G995 WeakPolarHBondContact O-CA 3.39Å; N991-G995 PolarHBondContact O-N 2.92Å; N991-N996 PolarHBondContact N-O 3.05Å |
| 992 | V | 88.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -25.1 | -169.3 | 75 | 0 | 0 | 0 | 0 | 113.4 | Y922 I932 W952 L971 H976 L990 | Y922-V992 HydrophobicContact CD1-CG1 4.18Å; Y922-V992 HydrophobicContact CD1-CG2 3.7Å; Y922-V992 HydrophobicContact CD2-CG1 4.19Å; Y922-V992 HydrophobicContact CD2-CG2 3.81Å; Y922-V992 HydrophobicContact CE1-CB 4.49Å; Y922-V992 HydrophobicContact CE1-CG1 3.69Å; Y922-V992 HydrophobicContact CE1-CG2 4.12Å; Y922-V992 HydrophobicContact CE2-CG1 3.73Å; Y922-V992 HydrophobicContact CE2-CG2 4.24Å; Y922-V992 HydrophobicContact CG-CG1 4.41Å; Y922-V992 HydrophobicContact CG-CG2 3.54Å; Y922-V992 VanDerWaalsContact CZ-CG1 3.47Å; I932-V992 HydrophobicContact CD1-CG2 3.49Å; I932-V992 VanDerWaalsContact CD1-CG2 3.49Å; W952-V992 PolarHBondContact NE1-O 2.84Å; L971-V992 HydrophobicContact CD1-CB 4.39Å; L971-V992 HydrophobicContact CD1-CG2 3.93Å; H976-V992 HydrophobicContact CB-CG1 4.33Å; H976-V992 WeakPolarHBondContact O-CG1 3.49Å; H976-V992 PolarHBondContact O-N 3.1Å; L990-V992 PolarHBondContact O-N 3.25Å |
| 993 | V | 87 | Confident | 83.3 | Confident | 73 Ų | 73 | 28 Ų | 28 | 44% | 0.442 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -39.3 | -174.1 | -173.7 | 0 | 0 | 0 | 0 | 112 | Y922 W952 N991 | Y922-V993 HydrophobicContact CE1-CG2 4.29Å; W952-V993 PolarHBondContact NE1-O 3.08Å; N991-V993 PolarHBondContact O-N 3.29Å; N991-V993 WeakPolarHBondContact OD1-CB 3.43Å; N991-V993 PolarHBondContact OD1-N 3.09Å; N991-V993 VanDerWaalsContact OD1-N 3.1Å |
| 994 | N | 88.9 | Confident | 82.5 | Confident | 77 Ų | 77 | 27.1 Ų | 27.1 | 41% | 0.412 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | -7.2 | -172.9 | 62.7 | 34.7 | 0 | 0 | 0 | 115.5 | W952 N991 N996 | W952-N994 WeakPolarHBondContact CB-O 3.28Å; N991-N994 WeakPolarHBondContact CB-OD1 3.45Å; N991-N994 PolarHBondContact OD1-N 3.41Å; N991-N994 PolarHBondContact OD1-ND2 3.5Å; N991-N994 PolarHBondContact OD1-OD1 3.21Å; N994-N996 VanDerWaalsContact C-N 3.27Å; N994-N996 PolarHBondContact O-N 2.58Å; N994-N996 VanDerWaalsContact OD1-CB 3.23Å; N994-N996 WeakPolarHBondContact OD1-CB 3.44Å; N994-N996 VanDerWaalsContact OD1-CG 3.28Å; N994-N996 PolarHBondContact OD1-N 3.39Å; N994-N996 PolarHBondContact OD1-ND2 2.94Å |
| 995 | G | 88.7 | Confident | 81.3 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | trans | 77.4 | 2.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | W952 N991 | W952-G995 VanDerWaalsContact CD2-CA 3.42Å; W952-G995 VanDerWaalsContact CE3-CA 3.49Å; N991-G995 WeakPolarHBondContact O-CA 3.39Å; N991-G995 PolarHBondContact O-N 2.92Å | ||
| 996 | N | 87.7 | Confident | 79.7 | Confident | 105 Ų | 105 | 38.9 Ų | 38.9 | 56% | 0.561 | 20% | 0.202 | S | C | * | . | trans | -67.5 | 142.2 | 177.7 | -67.6 | -25.4 | 0 | 0 | 0 | 111.1 | L990 N991 N994 A998 | L990-N996 CarbonylContact C-O 3.58Å; L990-N996 WeakPolarHBondContact CA-O 3.23Å; N991-N996 PolarHBondContact N-O 3.05Å; N994-N996 VanDerWaalsContact C-N 3.27Å; N994-N996 PolarHBondContact O-N 2.58Å; N994-N996 VanDerWaalsContact OD1-CB 3.23Å; N994-N996 WeakPolarHBondContact OD1-CB 3.44Å; N994-N996 VanDerWaalsContact OD1-CG 3.28Å; N994-N996 PolarHBondContact OD1-N 3.39Å; N994-N996 PolarHBondContact OD1-ND2 2.94Å; N996-A998 PolarHBondContact O-N 3.3Å | ||
| 997 | L | 86.2 | Confident | 78.1 | Confident | 27 Ų | 27 | 42.8 Ų | 42.8 | 14% | 0.141 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 120.2 | 174.3 | -175.1 | 69.1 | 0 | 0 | 0 | 110.7 | Y954 F988 L990 W999 M1000 V1049 | Y954-L997 HydrophobicContact CE2-CB 4.27Å; F988-L997 HydrophobicContact CB-CD1 4.19Å; F988-L997 HydrophobicContact CD2-CD1 4.18Å; L990-L997 HydrophobicContact CD2-CB 4.37Å; L990-L997 HydrophobicContact CD2-CD1 3.99Å; L997-W999 WeakPolarHBondContact CD1-O 3.48Å; L997-M1000 HydrophobicContact CD1-CB 4.3Å; L997-M1000 HydrophobicContact CD2-CB 4.25Å; L997-V1049 HydrophobicContact CD2-CG1 3.82Å |
| 998 | A | 81.8 | Confident | 76.1 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -43.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N977 A989 N996 L1047 | N977-A998 VanDerWaalsContact OD1-CB 3.27Å; N977-A998 WeakPolarHBondContact OD1-CB 3.42Å; A989-A998 HydrophobicContact CB-CB 4.27Å; A989-A998 PolarHBondContact O-N 2.79Å; N996-A998 PolarHBondContact O-N 3.3Å; A998-L1047 HydrophobicContact CB-CD2 4.45Å |
| 999 | W | 81.6 | Confident | 73.9 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 3% | 0.027 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 155.7 | 172.2 | 49.2 | -104.7 | 0 | 0 | 0 | 111.1 | I979 L987 F988 A989 L997 L1001 L1043 P1044 | I979-W999 HydrophobicContact CD1-CH2 4.29Å; I979-W999 HydrophobicContact CD1-CZ2 4.1Å; I979-W999 HydrophobicContact CG1-CH2 4.18Å; I979-W999 HydrophobicContact CG1-CZ2 4.1Å; I979-W999 HydrophobicContact CG2-CH2 3.99Å; L987-W999 HydrophobicContact CG-CH2 4.42Å; L987-W999 HydrophobicContact CG-CZ3 4.17Å; F988-W999 WeakPolarHBondContact CA-O 3.31Å; A989-W999 HydrophobicContact CB-CD2 3.6Å; A989-W999 HydrophobicContact CB-CE3 4.02Å; A989-W999 HydrophobicContact CB-CG 4.13Å; A989-W999 HydrophobicContact CB-CH2 3.93Å; A989-W999 HydrophobicContact CB-CZ2 3.49Å; A989-W999 VanDerWaalsContact CB-CZ2 3.49Å; A989-W999 HydrophobicContact CB-CZ3 4.16Å; A989-W999 PolarHBondContact N-O 2.88Å; L997-W999 WeakPolarHBondContact CD1-O 3.48Å; W999-L1001 HydrophobicContact CE3-CD1 3.7Å; W999-L1001 HydrophobicContact CE3-CG 3.77Å; W999-L1001 HydrophobicContact CH2-CD1 4.26Å; W999-L1001 HydrophobicContact CZ3-CD1 3.52Å; W999-L1001 HydrophobicContact CZ3-CG 4Å; W999-L1043 HydrophobicContact CH2-CD2 3.81Å; W999-L1043 HydrophobicContact CZ2-CD1 4.35Å; W999-L1043 HydrophobicContact CZ2-CD2 3.76Å; W999-L1043 HydrophobicContact CZ2-CG 4.46Å; W999-P1044 HydrophobicContact CB-CG 4.36Å; W999-P1044 HydrophobicContact CD2-CG 4.12Å; W999-P1044 HydrophobicContact CG-CB 4.29Å; W999-P1044 HydrophobicContact CG-CG 3.95Å |
| 1000 | M | 79.8 | Confident | 71.9 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 6% | 0.059 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 142.4 | 171.4 | -179.7 | 164.6 | 60.8 | 0 | 0 | 110.7 | E959 L960 F986 F988 L997 W1050 | E959-M1000 HydrophobicContact CB-CE 4.16Å; L960-M1000 HydrophobicContact CD1-SD 3.74Å; L960-M1000 HydrophobicContact CD2-SD 3.75Å; L960-M1000 HydrophobicContact CG-SD 3.75Å; F986-M1000 HydrophobicContact CD1-CG 4.01Å; F986-M1000 HydrophobicContact CD1-SD 3.97Å; F986-M1000 HydrophobicContact CE1-SD 4.35Å; F988-M1000 HydrophobicContact CB-CB 4.1Å; F988-M1000 HydrophobicContact CB-CG 4.05Å; L997-M1000 HydrophobicContact CD1-CB 4.3Å; L997-M1000 HydrophobicContact CD2-CB 4.25Å; M1000-W1050 HydrophobicContact CE-CH2 3.5Å; M1000-W1050 VanDerWaalsContact CE-CH2 3.5Å; M1000-W1050 HydrophobicContact CE-CZ2 3.28Å; M1000-W1050 HydrophobicContact CE-CZ3 4.32Å |
| 1001 | L | 76.6 | Confident | 69.8 | Low | 7 Ų | 7 | 69.5 Ų | 69.5 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 117.4 | -175 | -56.9 | 169.2 | 0 | 0 | 0 | 109.6 | L987 W999 P1044 P1054 | L987-L1001 HydrophobicContact CB-CB 4.45Å; L987-L1001 HydrophobicContact CD2-CD1 4.25Å; L987-L1001 PolarHBondContact N-O 3.16Å; L987-L1001 WeakPolarHBondContact O-CA 3.39Å; L987-L1001 WeakPolarHBondContact O-CB 3Å; L987-L1001 PolarHBondContact O-N 3.02Å; W999-L1001 HydrophobicContact CE3-CD1 3.7Å; W999-L1001 HydrophobicContact CE3-CG 3.77Å; W999-L1001 HydrophobicContact CH2-CD1 4.26Å; W999-L1001 HydrophobicContact CZ3-CD1 3.52Å; W999-L1001 HydrophobicContact CZ3-CG 4Å; L1001-P1044 HydrophobicContact CD2-CG 4.47Å; L1001-P1054 HydrophobicContact CD1-CB 3.85Å; L1001-P1054 HydrophobicContact CD1-CG 3.89Å; L1001-P1054 HydrophobicContact CD2-CB 4.44Å |
| 1002 | D | 74.5 | Confident | 68.2 | Low | 71 Ų | 71 | 73 Ų | 73 | 38% | 0.38 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 126.2 | 174.6 | -168.4 | -14 | 0 | 0 | 0 | 110.3 | F986 T1004 | F986-D1002 HydrophobicContact CD1-CB 4.09Å; F986-D1002 HydrophobicContact CE1-CB 3.53Å; F986-D1002 HydrophobicContact CZ-CB 3.92Å; F986-D1002 WeakPolarHBondContact CZ-OD2 3.23Å; D1002-T1004 VanDerWaalsContact OD1-CB 3.25Å; D1002-T1004 WeakPolarHBondContact OD1-CB 3.28Å; D1002-T1004 VanDerWaalsContact OD1-CG2 3.3Å; D1002-T1004 WeakPolarHBondContact OD1-CG2 3.29Å; D1002-T1004 PolarHBondContact OD1-N 3.29Å; D1002-T1004 PolarHBondContact OD1-OG1 3.35Å; D1002-T1004 PolarHBondContact OD2-OG1 2.96Å |
| 1003 | W | 71.5 | Confident | 67.1 | Low | 21 Ų | 21 | 73.9 Ų | 73.9 | 8% | 0.08 | 39% | 0.385 | C | S | . | . | trans | -123 | 14.3 | 177.7 | -79.3 | 56.8 | 0 | 0 | 0 | 111.5 | G985 F1005 L1015 Y1039 C1041 P1054 V1056 | G985-W1003 CarbonylContact O-C 3.13Å; G985-W1003 VanDerWaalsContact O-C 3.25Å; G985-W1003 WeakPolarHBondContact O-CA 3.48Å; G985-W1003 VanDerWaalsContact O-CB 3.3Å; G985-W1003 WeakPolarHBondContact O-CB 3.21Å; G985-W1003 PolarHBondContact O-N 3.46Å; W1003-F1005 PolarHBondContact O-N 3.47Å; W1003-L1015 HydrophobicContact CE3-CD2 4.49Å; W1003-Y1039 HydrophobicContact CE3-CE1 4.49Å; W1003-Y1039 HydrophobicContact CH2-CD1 4.12Å; W1003-Y1039 AromaticContact CH2-CD2 3.15Å; W1003-Y1039 HydrophobicContact CH2-CD2 3.15Å; W1003-Y1039 HydrophobicContact CH2-CE1 4.41Å; W1003-Y1039 AromaticContact CH2-CE2 3.49Å; W1003-Y1039 HydrophobicContact CH2-CE2 3.49Å; W1003-Y1039 VanDerWaalsContact CH2-CE2 3.49Å; W1003-Y1039 AromaticContact CH2-CG 3.48Å; W1003-Y1039 HydrophobicContact CH2-CG 3.48Å; W1003-Y1039 VanDerWaalsContact CH2-CG 3.48Å; W1003-Y1039 AromaticContact CZ2-CD2 3.98Å; W1003-Y1039 HydrophobicContact CZ2-CD2 3.98Å; W1003-Y1039 AromaticContact CZ2-CE2 3.99Å; W1003-Y1039 HydrophobicContact CZ2-CE2 3.99Å; W1003-Y1039 AromaticContact CZ3-CD1 3.68Å; W1003-Y1039 HydrophobicContact CZ3-CD1 3.68Å; W1003-Y1039 AromaticContact CZ3-CD2 3.61Å; W1003-Y1039 HydrophobicContact CZ3-CD2 3.61Å; W1003-Y1039 AromaticContact CZ3-CE1 3.9Å; W1003-Y1039 HydrophobicContact CZ3-CE1 3.9Å; W1003-Y1039 AromaticContact CZ3-CE2 3.81Å; W1003-Y1039 HydrophobicContact CZ3-CE2 3.81Å; W1003-Y1039 AromaticContact CZ3-CG 3.5Å; W1003-Y1039 HydrophobicContact CZ3-CG 3.5Å; W1003-Y1039 AromaticContact CZ3-CZ 3.94Å; W1003-C1041 HydrophobicContact CZ2-CB 4.31Å; W1003-P1054 HydrophobicContact CZ2-CG 3.6Å; W1003-P1054 VanDerWaalsContact NE1-CG 3.34Å; W1003-V1056 HydrophobicContact CH2-CG2 3.81Å; W1003-V1056 HydrophobicContact CZ2-CG2 3.97Å | ||
| 1004 | T | 64.8 | Low | 66.8 | Low | 33 Ų | 33 | 71.8 Ų | 71.8 | 20% | 0.202 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -65.7 | -26 | 176.5 | 56.3 | 0 | 0 | 0 | 0 | 113 | K984 G985 F986 D1002 L1012 | K984-T1004 WeakPolarHBondContact O-CG2 3.47Å; G985-T1004 PolarHBondContact O-N 2.91Å; F986-T1004 HydrophobicContact CD2-CG2 4.03Å; F986-T1004 HydrophobicContact CE2-CG2 3.51Å; F986-T1004 HydrophobicContact CZ-CG2 4.35Å; D1002-T1004 VanDerWaalsContact OD1-CB 3.25Å; D1002-T1004 WeakPolarHBondContact OD1-CB 3.28Å; D1002-T1004 VanDerWaalsContact OD1-CG2 3.3Å; D1002-T1004 WeakPolarHBondContact OD1-CG2 3.29Å; D1002-T1004 PolarHBondContact OD1-N 3.29Å; D1002-T1004 PolarHBondContact OD1-OG1 3.35Å; D1002-T1004 PolarHBondContact OD2-OG1 2.96Å; T1004-L1012 HydrophobicContact CG2-CD2 4.03Å |
| 1005 | F | 51.6 | Low | 66.7 | Low | 179 Ų | 179 | 68.4 Ų | 68.4 | 79% | 0.785 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -127.9 | 158.1 | -176.3 | -80.5 | -82.8 | 0 | 0 | 0 | 114 | W1003 | W1003-F1005 PolarHBondContact O-N 3.47Š|
| 1006 | D | 45.5 | Very low | 66.8 | Low | 132 Ų | 132 | 68.9 Ų | 68.9 | 71% | 0.706 | 36% | 0.356 | S | S | * | . | trans | 67.2 | 86.8 | 179.8 | -151.3 | 6.1 | 0 | 0 | 0 | 118.1 | ||||
| 1007 | L | 48.5 | Very low | 67 | Low | 101 Ų | 101 | 64.2 Ų | 64.2 | 53% | 0.529 | 33% | 0.332 | S | S | . | . | S | Bend | -168 | 96.5 | 107.9 | -94.4 | 175.7 | 0 | 0 | 0 | 107.7 | S1009 | L1007-S1009 PolarHBondContact O-N 2.88Š| |
| 1008 | N | 42.2 | Very low | 67.2 | Low | 170 Ų | 170 | 62.9 Ų | 62.9 | 91% | 0.909 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 57.4 | -11.7 | 177.8 | -67.7 | -45.9 | 0 | 0 | 0 | 119.7 | ||
| 1009 | S | 40.8 | Very low | 67.7 | Low | 57 Ų | 57 | 62.6 Ų | 62.6 | 40% | 0.399 | 32% | 0.322 | S | S | . | . | trans | -80.7 | 143.5 | 179.9 | -174 | 0 | 0 | 0 | 0 | 113.6 | L1007 N1011 | L1007-S1009 PolarHBondContact O-N 2.88Å; S1009-N1011 PolarHBondContact OG-N 2.86Å | ||
| 1010 | K | 44 | Very low | 68.1 | Low | 209 Ų | 209 | 62.2 Ų | 62.2 | 91% | 0.909 | 32% | 0.321 | S | S | * | . | trans | -100.1 | -0.5 | 172.1 | -79.3 | -165.7 | 174.5 | -172.1 | 0 | 114.5 | ||||
| 1011 | N | 47.3 | Very low | 68.5 | Low | 126 Ų | 126 | 61.7 Ų | 61.7 | 67% | 0.674 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -112.2 | 133.6 | -175 | -67.5 | -20.1 | 0 | 0 | 0 | 110.8 | S1009 C1013 | S1009-N1011 PolarHBondContact OG-N 2.86Å; N1011-C1013 PolarHBondContact O-N 2.87Å; N1011-C1013 PolarHBondContact O-SG 2.91Å |
| 1012 | L | 54.3 | Low | 68.8 | Low | 115 Ų | 115 | 61.6 Ų | 61.6 | 60% | 0.602 | 32% | 0.318 | S | S | * | . | trans | -57 | 127.4 | 167.5 | -69.7 | 166.3 | 0 | 0 | 0 | 109.6 | T1004 | T1004-L1012 HydrophobicContact CG2-CD2 4.03Š| ||
| 1013 | C | 65.2 | Low | 68.8 | Low | 18 Ų | 18 | 58.3 Ų | 58.3 | 12% | 0.122 | 30% | 0.3 | C | S | . | . | trans | -116.4 | 138.8 | -174.3 | -69 | 0 | 0 | 0 | 0 | 111.9 | K984 G985 N1011 D1035 | K984-C1013 CarbonylContact C-O 3.59Å; G985-C1013 PolarHBondContact N-O 2.78Å; N1011-C1013 PolarHBondContact O-N 2.87Å; N1011-C1013 PolarHBondContact O-SG 2.91Å; C1013-D1035 PolarHBondContact SG-OD2 2.97Å | ||
| 1014 | S | 81.4 | Confident | 68.6 | Low | 28 Ų | 28 | 61.3 Ų | 61.3 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | trans | -72.3 | 140.1 | 170.2 | -167 | 0 | 0 | 0 | 0 | 110.2 | N983 R1033 A1034 | N983-S1014 WeakPolarHBondContact CA-OG 3.37Å; S1014-R1033 WeakPolarHBondContact O-CA 3.38Å; S1014-A1034 PolarHBondContact O-N 2.83Å | ||
| 1015 | L | 86.8 | Confident | 68.6 | Low | 6 Ų | 6 | 62.9 Ų | 62.9 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -85.2 | 150.4 | 159.2 | -53.9 | -174.8 | 0 | 0 | 0 | 108.6 | S981 T982 L987 W1003 R1033 Y1039 | S981-L1015 WeakPolarHBondContact OG-CB 3.35Å; T982-L1015 PolarHBondContact O-N 2.87Å; L987-L1015 HydrophobicContact CB-CD1 3.98Å; W1003-L1015 HydrophobicContact CE3-CD2 4.49Å; L1015-R1033 HydrophobicContact CD2-CG 3.49Å; L1015-R1033 VanDerWaalsContact CD2-CG 3.49Å; L1015-Y1039 HydrophobicContact CD2-CE1 4.42Å |
| 1016 | N | 90.2 | Very high | 69.6 | Low | 15 Ų | 15 | 59.7 Ų | 59.7 | 8% | 0.08 | 33% | 0.328 | C | S | . | . | trans | -96.7 | -173.9 | 170.2 | -58.3 | -39.3 | 0 | 0 | 0 | 109.8 | S981 P1018 T1032 C1066 | S981-N1016 PolarHBondContact OG-O 3.05Å; N1016-P1018 WeakPolarHBondContact O-CD 3.45Å; N1016-T1032 PolarHBondContact N-O 3.19Å; N1016-T1032 VanDerWaalsContact N-O 3.09Å; N1016-T1032 PolarHBondContact ND2-O 3.23Å; N1016-T1032 PolarHBondContact ND2-OG1 3.3Å; N1016-C1066 PolarHBondContact ND2-O 3.35Å | ||
| 1017 | T | 92 | Very high | 71.2 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | trans | -67.7 | 123.2 | 172.2 | -56.8 | 0 | 0 | 0 | 0 | 109.1 | S967 D968 V970 S1069 P1070 | S967-T1017 WeakPolarHBondContact CA-OG1 3.49Å; D968-T1017 HydrophobicContact CB-CG2 3.73Å; D968-T1017 PolarHBondContact N-OG1 3.43Å; D968-T1017 WeakPolarHBondContact OD2-CB 3.28Å; D968-T1017 VanDerWaalsContact OD2-CG2 3.31Å; D968-T1017 WeakPolarHBondContact OD2-CG2 3.34Å; D968-T1017 PolarHBondContact OD2-OG1 3.09Å; V970-T1017 HydrophobicContact CG2-CG2 3.94Å; T1017-S1069 WeakPolarHBondContact CB-OG 3.39Å; T1017-S1069 PolarHBondContact N-OG 3.31Å; T1017-S1069 VanDerWaalsContact O-CB 3.27Å; T1017-S1069 WeakPolarHBondContact O-CB 3.15Å; T1017-S1069 PolarHBondContact O-OG 2.9Å; T1017-P1070 WeakPolarHBondContact O-CD 3.48Å | ||
| 1018 | P | 92 | Very high | 72.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -77.8 | 168.5 | 176.2 | 32.7 | -33.6 | 0 | 0 | 0 | 111.6 | G702 V970 N1016 L1029 I1030 | G702-P1018 VanDerWaalsContact CA-O 3.26Å; G702-P1018 WeakPolarHBondContact CA-O 3.35Å; G702-P1018 PolarHBondContact N-O 3.31Å; V970-P1018 HydrophobicContact CG2-CG 4.02Å; N1016-P1018 WeakPolarHBondContact O-CD 3.45Å; P1018-L1029 HydrophobicContact CB-CD1 3.78Å; P1018-L1029 HydrophobicContact CB-CD2 3.76Å; P1018-L1029 HydrophobicContact CB-CG 3.73Å; P1018-L1029 HydrophobicContact CG-CD1 3.93Å; P1018-L1029 HydrophobicContact CG-CG 4.43Å; P1018-I1030 CarbonylContact C-O 3.58Å; P1018-I1030 WeakPolarHBondContact CA-O 3.37Å | ||
| 1019 | S | 92.3 | Very high | 75.1 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 148.6 | 167.9 | -65.4 | 0 | 0 | 0 | 0 | 109.4 | G702 I1030 P1070 | G702-S1019 PolarHBondContact N-OG 2.7Å; S1019-I1030 PolarHBondContact N-O 3.1Å; S1019-I1030 PolarHBondContact O-N 3.28Å; S1019-P1070 PolarHBondContact OG-O 3.1Å |
| 1020 | L | 90 | Very high | 77.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 140 | -175.5 | -70.4 | 176.3 | 0 | 0 | 0 | 111.6 | S703 V704 L705 V970 D972 I979 L1029 L1043 | S703-L1020 PolarHBondContact O-N 2.84Å; V704-L1020 WeakPolarHBondContact CA-O 3.44Å; V704-L1020 HydrophobicContact CB-CB 4.43Å; V704-L1020 HydrophobicContact CG1-CB 4.15Å; V704-L1020 HydrophobicContact CG2-CB 4.19Å; V704-L1020 HydrophobicContact CG2-CD1 4.18Å; L705-L1020 PolarHBondContact N-O 2.68Å; V970-L1020 HydrophobicContact CG1-CD1 3.81Å; V970-L1020 HydrophobicContact CG1-CG 3.93Å; D972-L1020 HydrophobicContact CB-CD1 3.86Å; I979-L1020 HydrophobicContact CD1-CD1 4.26Å; I979-L1020 HydrophobicContact CD1-CD2 4.08Å; L1020-L1029 HydrophobicContact CD2-CB 4.01Å; L1020-L1029 HydrophobicContact CD2-CD1 4.16Å; L1020-L1029 HydrophobicContact CD2-CG 4.29Å; L1020-L1043 HydrophobicContact CD2-CD1 3.87Å |
| 1021 | L | 87.4 | Confident | 79.7 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 117.1 | 167.6 | -174.8 | 71.6 | 0 | 0 | 0 | 108.5 | L705 L707 L711 L1028 L1072 V1080 L1096 | L705-L1021 HydrophobicContact CB-CD1 3.99Å; L705-L1021 HydrophobicContact CD2-CD1 3.81Å; L705-L1021 HydrophobicContact CG-CD1 3.86Å; L705-L1021 WeakPolarHBondContact O-CA 3.24Å; L707-L1021 HydrophobicContact CD1-CD1 3.93Å; L707-L1021 HydrophobicContact CD1-CD2 4.31Å; L707-L1021 HydrophobicContact CD1-CG 4.39Å; L707-L1021 HydrophobicContact CG-CD1 3.93Å; L711-L1021 HydrophobicContact CD2-CD2 3.7Å; L711-L1021 HydrophobicContact CD2-CG 4.17Å; L1021-L1028 HydrophobicContact CB-CB 4.26Å; L1021-L1028 HydrophobicContact CB-CD2 4.39Å; L1021-L1028 HydrophobicContact CD2-CD2 3.96Å; L1021-L1028 PolarHBondContact N-O 2.87Å; L1021-L1028 PolarHBondContact O-N 3.44Å; L1021-L1072 HydrophobicContact CB-CD1 4.22Å; L1021-V1080 HydrophobicContact CD1-CG1 4.43Å; L1021-V1080 HydrophobicContact CD1-CG2 4.08Å; L1021-V1080 HydrophobicContact CD2-CG2 4.18Å; L1021-L1096 HydrophobicContact CD2-CD2 3.59Å |
| 1022 | Q | 82.4 | Confident | 81.8 | Confident | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.019 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.3 | -176.7 | -84.7 | -175.4 | -8.3 | 0 | 0 | 111.6 | V704 L705 K706 L707 D972 Q974 S1027 | V704-Q1022 HydrophobicContact CG1-CB 4.21Å; V704-Q1022 HydrophobicContact CG1-CG 3.84Å; L705-Q1022 PolarHBondContact O-N 2.84Å; K706-Q1022 WeakPolarHBondContact CA-O 3.4Å; K706-Q1022 VanDerWaalsContact CE-OE1 3.32Å; K706-Q1022 HydrophobicContact CG-CB 4.13Å; L707-Q1022 PolarHBondContact N-O 2.99Å; D972-Q1022 PolarHBondContact OD1-NE2 2.62Å; Q974-Q1022 HydrophobicContact CG-CG 4.42Å; Q1022-S1027 VanDerWaalsContact CG-OG 3.3Å; Q1022-S1027 WeakPolarHBondContact CG-OG 3.36Å; Q1022-S1027 PolarHBondContact NE2-OG 3.01Å |
| 1023 | S | 74.5 | Confident | 83.4 | Confident | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.014 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 137.2 | 163.6 | 105.8 | 0 | 0 | 0 | 0 | 110 | L707 G709 L711 G1025 H1026 | L707-S1023 WeakPolarHBondContact O-CB 3.33Å; G709-S1023 WeakPolarHBondContact O-CB 3.33Å; G709-S1023 PolarHBondContact O-OG 2.89Å; L711-S1023 PolarHBondContact N-OG 2.97Å; S1023-G1025 PolarHBondContact O-N 2.86Å; S1023-G1025 VanDerWaalsContact O-N 3.08Å; S1023-H1026 PolarHBondContact N-O 3.43Å; S1023-H1026 WeakPolarHBondContact O-CA 3.26Å; S1023-H1026 PolarHBondContact O-N 2.95Å |
| 1024 | D | 67.9 | Low | 84.4 | Confident | 85 Ų | 85 | 18 Ų | 18 | 46% | 0.455 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 25.6 | 68.2 | 167.5 | -53.1 | -21.3 | 0 | 0 | 0 | 117 | G709 H1026 | G709-D1024 WeakPolarHBondContact CA-OD2 3.2Å; G709-D1024 PolarHBondContact N-OD2 3.3Å; D1024-H1026 VanDerWaalsContact C-N 3.34Å; D1024-H1026 PolarHBondContact O-N 3.39Å |
| 1025 | G | 65.3 | Low | 84.5 | Confident | 65 Ų | 65 | 18.3 Ų | 18.3 | 67% | 0.67 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | -1.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | S1023 | S1023-G1025 PolarHBondContact O-N 2.86Å; S1023-G1025 VanDerWaalsContact O-N 3.08Å |
| 1026 | H | 72.5 | Confident | 84.6 | Confident | 113 Ų | 113 | 18 Ų | 18 | 52% | 0.523 | 11% | 0.11 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.8 | 178.4 | -62.3 | -56.2 | 0 | 0 | 0 | 112.2 | Q974 S1023 D1024 | Q974-H1026 PolarHBondContact OE1-O 3.3Å; S1023-H1026 PolarHBondContact N-O 3.43Å; S1023-H1026 WeakPolarHBondContact O-CA 3.26Å; S1023-H1026 PolarHBondContact O-N 2.95Å; D1024-H1026 VanDerWaalsContact C-N 3.34Å; D1024-H1026 PolarHBondContact O-N 3.39Å |
| 1027 | S | 78.1 | Confident | 84.5 | Confident | 16 Ų | 16 | 18 Ų | 18 | 11% | 0.112 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 120.7 | 170.4 | -77.3 | 0 | 0 | 0 | 0 | 110.3 | D972 Q974 Q1022 L1043 | D972-S1027 PolarHBondContact OD1-OG 2.79Å; Q974-S1027 PolarHBondContact OE1-OG 2.62Å; Q1022-S1027 VanDerWaalsContact CG-OG 3.3Å; Q1022-S1027 WeakPolarHBondContact CG-OG 3.36Å; Q1022-S1027 PolarHBondContact NE2-OG 3.01Å; S1027-L1043 PolarHBondContact O-N 2.78Å |
| 1028 | L | 84.3 | Confident | 84.5 | Confident | 3 Ų | 3 | 17.7 Ų | 17.7 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 132.3 | 172.5 | -179.9 | 77.5 | 0 | 0 | 0 | 109 | L711 I714 L1021 I1030 L1057 L1096 | L711-L1028 HydrophobicContact CD1-CB 4.01Å; I714-L1028 HydrophobicContact CD1-CD1 3.75Å; I714-L1028 HydrophobicContact CD1-CD2 3.52Å; I714-L1028 HydrophobicContact CD1-CG 4.24Å; I714-L1028 HydrophobicContact CG1-CD2 4.03Å; L1021-L1028 HydrophobicContact CB-CB 4.26Å; L1021-L1028 HydrophobicContact CB-CD2 4.39Å; L1021-L1028 HydrophobicContact CD2-CD2 3.96Å; L1021-L1028 PolarHBondContact N-O 2.87Å; L1021-L1028 PolarHBondContact O-N 3.44Å; L1028-I1030 HydrophobicContact CD2-CD1 3.68Å; L1028-I1030 HydrophobicContact CD2-CG1 4.46Å; L1028-I1030 HydrophobicContact CG-CD1 4.1Å; L1028-L1057 HydrophobicContact CD1-CD1 3.78Å; L1028-L1096 HydrophobicContact CD2-CD2 3.85Å |
| 1029 | L | 88.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 124.7 | 175.3 | -176.4 | 144.2 | 0 | 0 | 0 | 110.4 | I979 L987 P1018 L1020 Y1039 G1040 C1041 L1043 | I979-L1029 HydrophobicContact CD1-CD1 4.26Å; I979-L1029 HydrophobicContact CG2-CD1 3.89Å; L987-L1029 HydrophobicContact CD1-CD1 4.2Å; L987-L1029 HydrophobicContact CD2-CD1 4.11Å; L987-L1029 HydrophobicContact CD2-CD2 4.03Å; P1018-L1029 HydrophobicContact CB-CD1 3.78Å; P1018-L1029 HydrophobicContact CB-CD2 3.76Å; P1018-L1029 HydrophobicContact CB-CG 3.73Å; P1018-L1029 HydrophobicContact CG-CD1 3.93Å; P1018-L1029 HydrophobicContact CG-CG 4.43Å; L1020-L1029 HydrophobicContact CD2-CB 4.01Å; L1020-L1029 HydrophobicContact CD2-CD1 4.16Å; L1020-L1029 HydrophobicContact CD2-CG 4.29Å; L1029-Y1039 HydrophobicContact CD2-CD2 4.47Å; L1029-Y1039 HydrophobicContact CD2-CE2 3.6Å; L1029-G1040 WeakPolarHBondContact O-CA 3.42Å; L1029-C1041 PolarHBondContact N-O 3.19Å; L1029-C1041 PolarHBondContact O-N 3.43Å; L1029-L1043 HydrophobicContact CB-CD2 3.77Å; L1029-L1043 HydrophobicContact CB-CG 4.15Å; L1029-L1043 HydrophobicContact CD1-CD2 4.07Å |
| 1030 | I | 91.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 128.8 | 172.8 | -54.3 | -59.4 | 0 | 0 | 0 | 108.4 | F716 P1018 S1019 L1028 Y1039 P1070 L1072 L1096 | F716-I1030 HydrophobicContact CE1-CD1 4.37Å; F716-I1030 HydrophobicContact CE1-CG2 4.42Å; F716-I1030 HydrophobicContact CZ-CD1 4.16Å; F716-I1030 HydrophobicContact CZ-CG2 4.48Å; P1018-I1030 CarbonylContact C-O 3.58Å; P1018-I1030 WeakPolarHBondContact CA-O 3.37Å; S1019-I1030 PolarHBondContact N-O 3.1Å; S1019-I1030 PolarHBondContact O-N 3.28Å; L1028-I1030 HydrophobicContact CD2-CD1 3.68Å; L1028-I1030 HydrophobicContact CD2-CG1 4.46Å; L1028-I1030 HydrophobicContact CG-CD1 4.1Å; I1030-Y1039 WeakPolarHBondContact CA-O 3.35Å; I1030-P1070 HydrophobicContact CG2-CB 4.27Å; I1030-P1070 HydrophobicContact CG2-CG 4.18Å; I1030-L1072 HydrophobicContact CB-CD1 4.49Å; I1030-L1072 HydrophobicContact CB-CD2 4.07Å; I1030-L1072 HydrophobicContact CG1-CD1 4.2Å; I1030-L1072 HydrophobicContact CG1-CD2 4.05Å; I1030-L1072 HydrophobicContact CG2-CD2 4.03Å; I1030-L1096 HydrophobicContact CD1-CD1 3.97Å; I1030-L1096 HydrophobicContact CD1-CD2 4.08Å |
| 1031 | G | 90.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 169 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | V1038 Y1039 | G1031-V1038 WeakPolarHBondContact O-CA 3.26Å; G1031-Y1039 PolarHBondContact N-O 2.92Å; G1031-Y1039 VanDerWaalsContact O-CD1 3.31Å; G1031-Y1039 WeakPolarHBondContact O-CD1 3.28Å; G1031-Y1039 PolarHBondContact O-N 3.16Å |
| 1032 | T | 91.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 147.6 | 174.2 | 55.6 | 0 | 0 | 0 | 0 | 110.9 | N1016 L1037 V1038 S1068 P1070 T1084 | N1016-T1032 PolarHBondContact N-O 3.19Å; N1016-T1032 VanDerWaalsContact N-O 3.09Å; N1016-T1032 PolarHBondContact ND2-O 3.23Å; N1016-T1032 PolarHBondContact ND2-OG1 3.3Å; T1032-L1037 CarbonylContact C-O 3.39Å; T1032-L1037 WeakPolarHBondContact CA-O 3.38Å; T1032-V1038 HydrophobicContact CG2-CG1 4.32Å; T1032-V1038 HydrophobicContact CG2-CG2 4.2Å; T1032-S1068 PolarHBondContact OG1-O 3.26Å; T1032-P1070 HydrophobicContact CG2-CB 4.17Å; T1032-P1070 HydrophobicContact CG2-CG 4.1Å; T1032-T1084 HydrophobicContact CG2-CG2 4.31Å |
| 1033 | R | 87.4 | Confident | 83 | Confident | 18 Ų | 18 | 20.6 Ų | 20.6 | 7% | 0.068 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -113.4 | 152.5 | 176.5 | -82 | 155.1 | 58.9 | 131.8 | 4.5 | 111.8 | S1014 L1015 D1035 G1036 L1037 Y1039 C1066 | S1014-R1033 WeakPolarHBondContact O-CA 3.38Å; L1015-R1033 HydrophobicContact CD2-CG 3.49Å; L1015-R1033 VanDerWaalsContact CD2-CG 3.49Å; R1033-D1035 WeakPolarHBondContact CB-OD1 3.29Å; R1033-D1035 IonicContact CZ-OD2 2.7Å; R1033-D1035 IonicContact NE-OD1 2.71Å; R1033-D1035 PolarHBondContact NE-OD1 2.61Å; R1033-D1035 IonicContact NE-OD2 2.68Å; R1033-D1035 PolarHBondContact NE-OD2 2.8Å; R1033-D1035 VanDerWaalsContact NE-OD2 3.1Å; R1033-D1035 IonicContact NH2-OD2 3.1Å; R1033-D1035 PolarHBondContact NH2-OD2 2.85Å; R1033-D1035 PolarHBondContact O-N 2.98Å; R1033-G1036 PolarHBondContact O-N 2.83Å; R1033-L1037 HydrophobicContact CB-CB 4.23Å; R1033-L1037 PolarHBondContact N-O 2.54Å; R1033-Y1039 HydrophobicContact CG-CD1 4.36Å; R1033-Y1039 HydrophobicContact CG-CE1 4.01Å; R1033-C1066 CarbonylContact C-O 3.58Å |
| 1034 | A | 87 | Confident | 82.6 | Confident | 14 Ų | 14 | 22.6 Ų | 22.6 | 12% | 0.116 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -12.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1014 Q1065 C1066 F1067 | S1014-A1034 PolarHBondContact O-N 2.83Å; A1034-Q1065 VanDerWaalsContact O-CA 3.3Å; A1034-Q1065 WeakPolarHBondContact O-CA 3.47Å; A1034-Q1065 VanDerWaalsContact O-CB 3.22Å; A1034-Q1065 WeakPolarHBondContact O-CB 3.41Å; A1034-Q1065 WeakPolarHBondContact O-CG 3.5Å; A1034-C1066 WeakPolarHBondContact CA-O 3.48Å; A1034-F1067 HydrophobicContact CB-CE1 4.14Å; A1034-F1067 HydrophobicContact CB-CZ 3.95Å |
| 1035 | D | 83.5 | Confident | 82.1 | Confident | 35 Ų | 35 | 24.3 Ų | 24.3 | 19% | 0.187 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -11.4 | 171.8 | 53.8 | 16.3 | 0 | 0 | 0 | 114 | C1013 R1033 L1037 H1061 | C1013-D1035 PolarHBondContact SG-OD2 2.97Å; R1033-D1035 WeakPolarHBondContact CB-OD1 3.29Å; R1033-D1035 IonicContact CZ-OD2 2.7Å; R1033-D1035 IonicContact NE-OD1 2.71Å; R1033-D1035 PolarHBondContact NE-OD1 2.61Å; R1033-D1035 IonicContact NE-OD2 2.68Å; R1033-D1035 PolarHBondContact NE-OD2 2.8Å; R1033-D1035 VanDerWaalsContact NE-OD2 3.1Å; R1033-D1035 IonicContact NH2-OD2 3.1Å; R1033-D1035 PolarHBondContact NH2-OD2 2.85Å; R1033-D1035 PolarHBondContact O-N 2.98Å; D1035-L1037 WeakPolarHBondContact OD1-CB 3.45Å; D1035-L1037 PolarHBondContact OD1-N 3.41Å; D1035-H1061 PolarHBondContact O-CE1 3.34Å |
| 1036 | G | 88.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 106 | -2.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1033 V1038 L1062 N1064 | R1033-G1036 PolarHBondContact O-N 2.83Å; G1036-V1038 PolarHBondContact O-N 3.13Å; G1036-L1062 VanDerWaalsContact O-CB 3.29Å; G1036-L1062 WeakPolarHBondContact O-CB 3.28Å; G1036-L1062 WeakPolarHBondContact O-CG 3.38Å; G1036-L1062 PolarHBondContact O-N 3.21Å; G1036-N1064 VanDerWaalsContact CA-O 3.22Å; G1036-N1064 WeakPolarHBondContact CA-O 3.44Å |
| 1037 | L | 89.2 | Confident | 80.4 | Confident | 16 Ų | 16 | 27 Ų | 27 | 8% | 0.084 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 118.7 | 178.8 | -164.7 | 74.1 | 0 | 0 | 0 | 111.5 | T1032 R1033 D1035 T1059 H1061 | T1032-L1037 CarbonylContact C-O 3.39Å; T1032-L1037 WeakPolarHBondContact CA-O 3.38Å; R1033-L1037 HydrophobicContact CB-CB 4.23Å; R1033-L1037 PolarHBondContact N-O 2.54Å; D1035-L1037 WeakPolarHBondContact OD1-CB 3.45Å; D1035-L1037 PolarHBondContact OD1-N 3.41Å; L1037-T1059 HydrophobicContact CD1-CG2 4.24Å; L1037-T1059 HydrophobicContact CD2-CG2 4.25Å; L1037-T1059 HydrophobicContact CG-CG2 4.39Å; L1037-H1061 HydrophobicContact CD1-CB 4.38Å |
| 1038 | V | 91.4 | Very high | 78.8 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 135.7 | 160.4 | -166.4 | 0 | 0 | 0 | 0 | 107.8 | F716 G1031 T1032 G1036 T1059 Y1060 L1062 L1094 | F716-V1038 HydrophobicContact CE1-CG1 3.98Å; F716-V1038 HydrophobicContact CZ-CG1 4.01Å; G1031-V1038 WeakPolarHBondContact O-CA 3.26Å; T1032-V1038 HydrophobicContact CG2-CG1 4.32Å; T1032-V1038 HydrophobicContact CG2-CG2 4.2Å; G1036-V1038 PolarHBondContact O-N 3.13Å; V1038-T1059 CarbonylContact O-C 3.59Å; V1038-T1059 VanDerWaalsContact O-CA 3.28Å; V1038-T1059 WeakPolarHBondContact O-CA 3.19Å; V1038-Y1060 WeakPolarHBondContact CB-O 3.22Å; V1038-Y1060 PolarHBondContact N-O 3.45Å; V1038-Y1060 PolarHBondContact O-N 2.99Å; V1038-L1062 HydrophobicContact CG2-CD1 3.93Å; V1038-L1062 HydrophobicContact CG2-CD2 4.4Å; V1038-L1062 HydrophobicContact CG2-CG 3.94Å; V1038-L1094 HydrophobicContact CB-CD1 4.45Å; V1038-L1094 HydrophobicContact CG1-CD1 4.28Å; V1038-L1094 HydrophobicContact CG2-CD1 4.2Å |
| 1039 | Y | 88.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 150.6 | -175.6 | 62.6 | -93.6 | 0 | 0 | 0 | 112.3 | F716 W1003 L1015 L1029 I1030 G1031 R1033 | F716-Y1039 VanDerWaalsContact CZ-C 3.43Å; W1003-Y1039 HydrophobicContact CE3-CE1 4.49Å; W1003-Y1039 HydrophobicContact CH2-CD1 4.12Å; W1003-Y1039 AromaticContact CH2-CD2 3.15Å; W1003-Y1039 HydrophobicContact CH2-CD2 3.15Å; W1003-Y1039 HydrophobicContact CH2-CE1 4.41Å; W1003-Y1039 AromaticContact CH2-CE2 3.49Å; W1003-Y1039 HydrophobicContact CH2-CE2 3.49Å; W1003-Y1039 VanDerWaalsContact CH2-CE2 3.49Å; W1003-Y1039 AromaticContact CH2-CG 3.48Å; W1003-Y1039 HydrophobicContact CH2-CG 3.48Å; W1003-Y1039 VanDerWaalsContact CH2-CG 3.48Å; W1003-Y1039 AromaticContact CZ2-CD2 3.98Å; W1003-Y1039 HydrophobicContact CZ2-CD2 3.98Å; W1003-Y1039 AromaticContact CZ2-CE2 3.99Å; W1003-Y1039 HydrophobicContact CZ2-CE2 3.99Å; W1003-Y1039 AromaticContact CZ3-CD1 3.68Å; W1003-Y1039 HydrophobicContact CZ3-CD1 3.68Å; W1003-Y1039 AromaticContact CZ3-CD2 3.61Å; W1003-Y1039 HydrophobicContact CZ3-CD2 3.61Å; W1003-Y1039 AromaticContact CZ3-CE1 3.9Å; W1003-Y1039 HydrophobicContact CZ3-CE1 3.9Å; W1003-Y1039 AromaticContact CZ3-CE2 3.81Å; W1003-Y1039 HydrophobicContact CZ3-CE2 3.81Å; W1003-Y1039 AromaticContact CZ3-CG 3.5Å; W1003-Y1039 HydrophobicContact CZ3-CG 3.5Å; W1003-Y1039 AromaticContact CZ3-CZ 3.94Å; L1015-Y1039 HydrophobicContact CD2-CE1 4.42Å; L1029-Y1039 HydrophobicContact CD2-CD2 4.47Å; L1029-Y1039 HydrophobicContact CD2-CE2 3.6Å; I1030-Y1039 WeakPolarHBondContact CA-O 3.35Å; G1031-Y1039 PolarHBondContact N-O 2.92Å; G1031-Y1039 VanDerWaalsContact O-CD1 3.31Å; G1031-Y1039 WeakPolarHBondContact O-CD1 3.28Å; G1031-Y1039 PolarHBondContact O-N 3.16Å; R1033-Y1039 HydrophobicContact CG-CD1 4.36Å; R1033-Y1039 HydrophobicContact CG-CE1 4.01Å |
| 1040 | G | 88 | Confident | 75.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 120.8 | 174 | 0 | 0 | 0 | 0 | 0 | 109.7 | L1029 L1057 S1058 | L1029-G1040 WeakPolarHBondContact O-CA 3.42Å; G1040-L1057 PolarHBondContact O-N 2.93Å; G1040-S1058 PolarHBondContact N-O 3.09Å; G1040-S1058 VanDerWaalsContact N-O 3.1Å; G1040-S1058 PolarHBondContact O-N 2.95Å |
| 1041 | C | 82.6 | Confident | 73.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 140.2 | -174.8 | 61.9 | 0 | 0 | 0 | 0 | 113 | W1003 L1029 P1054 T1055 V1056 | W1003-C1041 HydrophobicContact CZ2-CB 4.31Å; L1029-C1041 PolarHBondContact N-O 3.19Å; L1029-C1041 PolarHBondContact O-N 3.43Å; C1041-P1054 HydrophobicContact CB-CB 4.11Å; C1041-P1054 HydrophobicContact CB-CG 4.15Å; C1041-T1055 WeakPolarHBondContact CA-O 3.34Å; C1041-V1056 HydrophobicContact CB-CG2 4.32Å |
| 1042 | S | 78.8 | Confident | 71.2 | Confident | 41 Ų | 41 | 60.5 Ų | 60.5 | 29% | 0.287 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 134.1 | 175.6 | 59.3 | 0 | 0 | 0 | 0 | 111.2 | T1055 | S1042-T1055 PolarHBondContact N-O 3.28Å; S1042-T1055 VanDerWaalsContact N-O 3.16Å; S1042-T1055 WeakPolarHBondContact OG-CB 3.5Å |
| 1043 | L | 75.1 | Confident | 69.1 | Low | 24 Ų | 24 | 63.8 Ų | 63.8 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 149.8 | 174.1 | -64.2 | -175.4 | 0 | 0 | 0 | 112.8 | I979 W999 L1020 S1027 L1029 | I979-L1043 HydrophobicContact CD1-CD1 3.46Å; I979-L1043 VanDerWaalsContact CD1-CD1 3.46Å; I979-L1043 HydrophobicContact CD1-CD2 4.48Å; W999-L1043 HydrophobicContact CH2-CD2 3.81Å; W999-L1043 HydrophobicContact CZ2-CD1 4.35Å; W999-L1043 HydrophobicContact CZ2-CD2 3.76Å; W999-L1043 HydrophobicContact CZ2-CG 4.46Å; L1020-L1043 HydrophobicContact CD2-CD1 3.87Å; S1027-L1043 PolarHBondContact O-N 2.78Å; L1029-L1043 HydrophobicContact CB-CD2 3.77Å; L1029-L1043 HydrophobicContact CB-CG 4.15Å; L1029-L1043 HydrophobicContact CD1-CD2 4.07Å |
| 1044 | P | 65.3 | Low | 67.6 | Low | 45 Ų | 45 | 63.6 Ų | 63.6 | 29% | 0.292 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 139.3 | 170.8 | -17.2 | 31.2 | 0 | 0 | 0 | 112 | W999 L1001 | W999-P1044 HydrophobicContact CB-CG 4.36Å; W999-P1044 HydrophobicContact CD2-CG 4.12Å; W999-P1044 HydrophobicContact CG-CB 4.29Å; W999-P1044 HydrophobicContact CG-CG 3.95Å; L1001-P1044 HydrophobicContact CD2-CG 4.47Å |
| 1045 | S | 57.6 | Low | 66.5 | Low | 121 Ų | 121 | 67.2 Ų | 67.2 | 85% | 0.846 | 36% | 0.364 | S | S | * | . | trans | -95.6 | -7.6 | -177.2 | 55 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1046 | S | 53.1 | Low | 66.1 | Low | 87 Ų | 87 | 68.7 Ų | 68.7 | 61% | 0.608 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -152.9 | 162.1 | 180 | 68.7 | 0 | 0 | 0 | 0 | 114.3 | S1048 | S1046-S1048 PolarHBondContact O-N 3.28Å; S1046-S1048 VanDerWaalsContact O-N 3.09Å |
| 1047 | L | 49.3 | Very low | 65.6 | Low | 148 Ų | 148 | 72.5 Ų | 72.5 | 78% | 0.775 | 39% | 0.394 | S | S | * | . | trans | -64.1 | 100.4 | -174 | -71.9 | 148.8 | 0 | 0 | 0 | 112.5 | A998 | A998-L1047 HydrophobicContact CB-CD2 4.45Š| ||
| 1048 | S | 44.7 | Very low | 65.4 | Low | 67 Ų | 67 | 72.7 Ų | 72.7 | 47% | 0.469 | 40% | 0.397 | S | S | . | . | trans | -146.7 | 120.5 | 158.7 | 69.9 | 0 | 0 | 0 | 0 | 109.8 | S1046 W1050 | S1046-S1048 PolarHBondContact O-N 3.28Å; S1046-S1048 VanDerWaalsContact O-N 3.09Å; S1048-W1050 VanDerWaalsContact C-N 3.34Å; S1048-W1050 PolarHBondContact O-N 3.03Å | ||
| 1049 | V | 52.7 | Low | 65.3 | Low | 72 Ų | 72 | 75.5 Ų | 75.5 | 44% | 0.436 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -68.7 | -30.1 | -159.7 | -165.3 | 0 | 0 | 0 | 0 | 113.2 | L997 | L997-V1049 HydrophobicContact CD2-CG1 3.82Š|
| 1050 | W | 46.3 | Very low | 65.5 | Low | 164 Ų | 164 | 78.3 Ų | 78.3 | 62% | 0.621 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -146.2 | 81.3 | -172.4 | -72.5 | 93 | 0 | 0 | 0 | 113.5 | M1000 S1048 | M1000-W1050 HydrophobicContact CE-CH2 3.5Å; M1000-W1050 VanDerWaalsContact CE-CH2 3.5Å; M1000-W1050 HydrophobicContact CE-CZ2 3.28Å; M1000-W1050 HydrophobicContact CE-CZ3 4.32Å; S1048-W1050 VanDerWaalsContact C-N 3.34Å; S1048-W1050 PolarHBondContact O-N 3.03Å |
| 1051 | R | 47.4 | Very low | 65.7 | Low | 222 Ų | 222 | 84 Ų | 84 | 84% | 0.838 | 45% | 0.451 | S | S | * | . | trans | -148.2 | 117.9 | 166.1 | -77.6 | -161 | 170.7 | 171.3 | -0.6 | 115.1 | ||||
| 1052 | K | 48.1 | Very low | 66.1 | Low | 196 Ų | 196 | 84 Ų | 84 | 85% | 0.852 | 45% | 0.451 | S | S | * | . | trans | 59.9 | 146.3 | 174.3 | -75.5 | -172.1 | 172.5 | -176 | 0 | 115.9 | ||||
| 1053 | A | 48.2 | Very low | 66.6 | Low | 70 Ų | 70 | 86.6 Ų | 86.6 | 58% | 0.579 | 47% | 0.467 | S | S | * | . | trans | -56.3 | 147.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1054 | P | 55.1 | Low | 67.2 | Low | 13 Ų | 13 | 88.7 Ų | 88.7 | 8% | 0.084 | 48% | 0.478 | C | S | . | . | trans | -64.3 | 149.8 | -178.9 | 32.3 | -36.5 | 0 | 0 | 0 | 109.1 | L1001 W1003 C1041 V1056 | L1001-P1054 HydrophobicContact CD1-CB 3.85Å; L1001-P1054 HydrophobicContact CD1-CG 3.89Å; L1001-P1054 HydrophobicContact CD2-CB 4.44Å; W1003-P1054 HydrophobicContact CZ2-CG 3.6Å; W1003-P1054 VanDerWaalsContact NE1-CG 3.34Å; C1041-P1054 HydrophobicContact CB-CB 4.11Å; C1041-P1054 HydrophobicContact CB-CG 4.15Å; P1054-V1056 PolarHBondContact O-N 2.89Å | ||
| 1055 | T | 64.7 | Low | 68.3 | Low | 91 Ų | 91 | 90.4 Ų | 90.4 | 56% | 0.558 | 48% | 0.482 | S | S | * | . | trans | -67.3 | 99.5 | 177.9 | -40 | 0 | 0 | 0 | 0 | 108.8 | C1041 S1042 L1057 | C1041-T1055 WeakPolarHBondContact CA-O 3.34Å; S1042-T1055 PolarHBondContact N-O 3.28Å; S1042-T1055 VanDerWaalsContact N-O 3.16Å; S1042-T1055 WeakPolarHBondContact OG-CB 3.5Å; T1055-L1057 HydrophobicContact CG2-CD2 3.78Å; T1055-L1057 WeakPolarHBondContact O-CG 3.32Å; T1055-L1057 PolarHBondContact O-N 3.38Å | ||
| 1056 | V | 73.9 | Confident | 69.9 | Low | 66 Ų | 66 | 84.7 Ų | 84.7 | 40% | 0.4 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 107.6 | 171.4 | 179.2 | 0 | 0 | 0 | 0 | 107.1 | W1003 C1041 P1054 S1058 T1059 | W1003-V1056 HydrophobicContact CH2-CG2 3.81Å; W1003-V1056 HydrophobicContact CZ2-CG2 3.97Å; C1041-V1056 HydrophobicContact CB-CG2 4.32Å; P1054-V1056 PolarHBondContact O-N 2.89Å; V1056-S1058 WeakPolarHBondContact CG1-O 3.46Å; V1056-T1059 HydrophobicContact CG1-CG2 3.48Å; V1056-T1059 VanDerWaalsContact CG1-CG2 3.48Å |
| 1057 | L | 78.7 | Confident | 71.7 | Confident | 80 Ų | 80 | 83.7 Ų | 83.7 | 42% | 0.419 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -31 | -175.1 | -55.9 | -177 | 0 | 0 | 0 | 111.2 | I714 L1028 G1040 T1055 | I714-L1057 HydrophobicContact CB-CB 4.45Å; I714-L1057 HydrophobicContact CD1-CD1 3.63Å; I714-L1057 HydrophobicContact CG2-CB 4.43Å; L1028-L1057 HydrophobicContact CD1-CD1 3.78Å; G1040-L1057 PolarHBondContact O-N 2.93Å; T1055-L1057 HydrophobicContact CG2-CD2 3.78Å; T1055-L1057 WeakPolarHBondContact O-CG 3.32Å; T1055-L1057 PolarHBondContact O-N 3.38Å |
| 1058 | S | 85.1 | Confident | 73.9 | Confident | 20 Ų | 20 | 76.7 Ų | 76.7 | 14% | 0.14 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 161.7 | 173.4 | -159.4 | 0 | 0 | 0 | 0 | 111.5 | F716 G1040 V1056 | F716-S1058 WeakPolarHBondContact CD2-OG 3.4Å; F716-S1058 WeakPolarHBondContact CE2-O 3.2Å; F716-S1058 PolarHBondContact N-OG 3.12Å; G1040-S1058 PolarHBondContact N-O 3.09Å; G1040-S1058 VanDerWaalsContact N-O 3.1Å; G1040-S1058 PolarHBondContact O-N 2.95Å; V1056-S1058 WeakPolarHBondContact CG1-O 3.46Å |
| 1059 | T | 89 | Confident | 76.3 | Confident | 58 Ų | 58 | 73.8 Ų | 73.8 | 36% | 0.356 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 155.7 | 168.6 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | F716 L1037 V1038 V1056 | F716-T1059 VanDerWaalsContact CD2-C 3.5Å; L1037-T1059 HydrophobicContact CD1-CG2 4.24Å; L1037-T1059 HydrophobicContact CD2-CG2 4.25Å; L1037-T1059 HydrophobicContact CG-CG2 4.39Å; V1038-T1059 CarbonylContact O-C 3.59Å; V1038-T1059 VanDerWaalsContact O-CA 3.28Å; V1038-T1059 WeakPolarHBondContact O-CA 3.19Å; V1056-T1059 HydrophobicContact CG1-CG2 3.48Å; V1056-T1059 VanDerWaalsContact CG1-CG2 3.48Å |
| 1060 | Y | 91.9 | Very high | 78.3 | Confident | 60 Ų | 60 | 70.4 Ų | 70.4 | 24% | 0.235 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 131.2 | 169.3 | -173.9 | -85.2 | 0 | 0 | 0 | 108.9 | F716 F718 V1038 L1062 L1094 | F716-Y1060 HydrophobicContact CB-CD2 4.43Å; F716-Y1060 HydrophobicContact CB-CG 4.48Å; F718-Y1060 HydrophobicContact CB-CE2 4.01Å; F718-Y1060 WeakPolarHBondContact CD2-OH 3.25Å; V1038-Y1060 WeakPolarHBondContact CB-O 3.22Å; V1038-Y1060 PolarHBondContact N-O 3.45Å; V1038-Y1060 PolarHBondContact O-N 2.99Å; Y1060-L1062 HydrophobicContact CD1-CD2 4.2Å; Y1060-L1062 HydrophobicContact CE1-CD2 4.05Å; Y1060-L1094 HydrophobicContact CD1-CD1 4Å; Y1060-L1094 HydrophobicContact CD1-CD2 4.03Å; Y1060-L1094 HydrophobicContact CD2-CD2 4.36Å; Y1060-L1094 HydrophobicContact CE1-CD2 3.94Å; Y1060-L1094 HydrophobicContact CE2-CD2 4.28Å; Y1060-L1094 HydrophobicContact CG-CD1 4.05Å; Y1060-L1094 HydrophobicContact CG-CD2 4.26Å |
| 1061 | H | 91.6 | Very high | 80.6 | Confident | 119 Ų | 119 | 62.6 Ų | 62.6 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 114.6 | -177 | -155.2 | -51.9 | 0 | 0 | 0 | 110.7 | D1035 L1037 | D1035-H1061 PolarHBondContact O-CE1 3.34Å; L1037-H1061 HydrophobicContact CD1-CB 4.38Å |
| 1062 | L | 91.9 | Very high | 82.8 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | trans | -69.6 | 153.6 | 172.4 | -59.8 | 169.7 | 0 | 0 | 0 | 110.2 | G1036 V1038 Y1060 N1064 C1066 T1084 C1086 Y1092 | G1036-L1062 VanDerWaalsContact O-CB 3.29Å; G1036-L1062 WeakPolarHBondContact O-CB 3.28Å; G1036-L1062 WeakPolarHBondContact O-CG 3.38Å; G1036-L1062 PolarHBondContact O-N 3.21Å; V1038-L1062 HydrophobicContact CG2-CD1 3.93Å; V1038-L1062 HydrophobicContact CG2-CD2 4.4Å; V1038-L1062 HydrophobicContact CG2-CG 3.94Å; Y1060-L1062 HydrophobicContact CD1-CD2 4.2Å; Y1060-L1062 HydrophobicContact CE1-CD2 4.05Å; L1062-N1064 PolarHBondContact O-N 3.25Å; L1062-N1064 VanDerWaalsContact O-N 3.11Å; L1062-C1066 HydrophobicContact CD1-CB 3.82Å; L1062-T1084 HydrophobicContact CD1-CG2 4.04Å; L1062-C1086 HydrophobicContact CD1-CB 4.48Å; L1062-Y1092 HydrophobicContact CD2-CD1 3.97Å; L1062-Y1092 HydrophobicContact CD2-CD2 3.58Å; L1062-Y1092 HydrophobicContact CD2-CE1 4.47Å; L1062-Y1092 HydrophobicContact CD2-CE2 4.09Å; L1062-Y1092 HydrophobicContact CD2-CG 3.51Å | ||
| 1063 | P | 88.6 | Confident | 84.9 | Confident | 94 Ų | 94 | 42.8 Ų | 42.8 | 61% | 0.61 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -65.9 | -12.1 | -175.8 | -22.4 | 32.8 | 0 | 0 | 0 | 116.1 | D1088 | P1063-D1088 WeakPolarHBondContact CB-OD2 3.49Å; P1063-D1088 VanDerWaalsContact CD-OD2 3.27Å; P1063-D1088 WeakPolarHBondContact CD-OD2 3.27Å; P1063-D1088 WeakPolarHBondContact CG-OD2 3.48Å |
| 1064 | N | 87.9 | Confident | 86.8 | Confident | 68 Ų | 68 | 40.2 Ų | 40.2 | 36% | 0.364 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -156.8 | -179.4 | -175.2 | -162.2 | 1.3 | 0 | 0 | 0 | 110.7 | G1036 L1062 C1086 R1087 D1088 | G1036-N1064 VanDerWaalsContact CA-O 3.22Å; G1036-N1064 WeakPolarHBondContact CA-O 3.44Å; L1062-N1064 PolarHBondContact O-N 3.25Å; L1062-N1064 VanDerWaalsContact O-N 3.11Å; N1064-C1086 PolarHBondContact O-SG 2.88Å; N1064-C1086 VanDerWaalsContact O-SG 3.39Å; N1064-R1087 VanDerWaalsContact ND2-C 3.3Å; N1064-R1087 PolarHBondContact ND2-O 3.29Å; N1064-D1088 HydrophobicContact CB-CB 3.85Å; N1064-D1088 PolarHBondContact ND2-N 3.26Å |
| 1065 | Q | 89.3 | Confident | 87.8 | Confident | 82 Ų | 82 | 43.6 Ų | 43.6 | 38% | 0.383 | 23% | 0.232 | S | C | . | . | trans | -53.2 | 140.9 | -179.8 | -57.7 | -176.6 | -28.5 | 0 | 0 | 113.3 | A1034 F1067 R1087 | A1034-Q1065 VanDerWaalsContact O-CA 3.3Å; A1034-Q1065 WeakPolarHBondContact O-CA 3.47Å; A1034-Q1065 VanDerWaalsContact O-CB 3.22Å; A1034-Q1065 WeakPolarHBondContact O-CB 3.41Å; A1034-Q1065 WeakPolarHBondContact O-CG 3.5Å; Q1065-F1067 HydrophobicContact CB-CD2 4.31Å; Q1065-F1067 HydrophobicContact CB-CE2 3.81Å; Q1065-R1087 HydrophobicContact CB-CB 4.19Å; Q1065-R1087 HydrophobicContact CB-CG 4.19Å; Q1065-R1087 WeakPolarHBondContact O-CB 3.23Å; Q1065-R1087 WeakPolarHBondContact O-CG 3.44Å; Q1065-R1087 PolarHBondContact O-N 2.98Å | ||
| 1066 | C | 90.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -122.9 | 118.4 | 178.7 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | N1016 R1033 A1034 L1062 S1068 G1085 | N1016-C1066 PolarHBondContact ND2-O 3.35Å; R1033-C1066 CarbonylContact C-O 3.58Å; A1034-C1066 WeakPolarHBondContact CA-O 3.48Å; L1062-C1066 HydrophobicContact CD1-CB 3.82Å; C1066-S1068 PolarHBondContact SG-O 3.07Å; C1066-S1068 VanDerWaalsContact SG-O 3.34Å; C1066-G1085 PolarHBondContact SG-O 2.8Å | ||
| 1067 | F | 90.9 | Very high | 87.9 | Confident | 67 Ų | 67 | 41.2 Ų | 41.2 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | trans | -114.4 | -9.7 | 175.4 | -70.9 | -90.7 | 0 | 0 | 0 | 112.5 | D729 A1034 Q1065 R1087 | D729-F1067 HydrophobicContact CB-CB 4.31Å; A1034-F1067 HydrophobicContact CB-CE1 4.14Å; A1034-F1067 HydrophobicContact CB-CZ 3.95Å; Q1065-F1067 HydrophobicContact CB-CD2 4.31Å; Q1065-F1067 HydrophobicContact CB-CE2 3.81Å; F1067-R1087 HydrophobicContact CD2-CG 4.25Å | ||
| 1068 | S | 94.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -72 | 132.7 | 168.4 | 168.1 | 0 | 0 | 0 | 0 | 110 | T1032 C1066 T1084 G1085 | T1032-S1068 PolarHBondContact OG1-O 3.26Å; C1066-S1068 PolarHBondContact SG-O 3.07Å; C1066-S1068 VanDerWaalsContact SG-O 3.34Å; S1068-T1084 VanDerWaalsContact CB-OG1 3.27Å; S1068-T1084 WeakPolarHBondContact CB-OG1 3.43Å; S1068-T1084 PolarHBondContact O-OG1 3.01Å; S1068-T1084 PolarHBondContact OG-OG1 3Å; S1068-G1085 PolarHBondContact OG-N 3.05Å |
| 1069 | S | 94.9 | Very high | 87.2 | Confident | 7 Ų | 7 | 44 Ų | 44 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -77.3 | 144.2 | 169.6 | -61.3 | 0 | 0 | 0 | 0 | 109.8 | H701 S731 T1017 | H701-S1069 VanDerWaalsContact CB-CB 3.46Å; S731-S1069 WeakPolarHBondContact OG-CB 3.32Å; S731-S1069 PolarHBondContact OG-N 3.43Å; T1017-S1069 WeakPolarHBondContact CB-OG 3.39Å; T1017-S1069 PolarHBondContact N-OG 3.31Å; T1017-S1069 VanDerWaalsContact O-CB 3.27Å; T1017-S1069 WeakPolarHBondContact O-CB 3.15Å; T1017-S1069 PolarHBondContact O-OG 2.9Å |
| 1070 | P | 95.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 134 | -178.2 | 31 | -31.7 | 0 | 0 | 0 | 110.8 | T1017 S1019 I1030 T1032 I1082 | T1017-P1070 WeakPolarHBondContact O-CD 3.48Å; S1019-P1070 PolarHBondContact OG-O 3.1Å; I1030-P1070 HydrophobicContact CG2-CB 4.27Å; I1030-P1070 HydrophobicContact CG2-CG 4.18Å; T1032-P1070 HydrophobicContact CG2-CB 4.17Å; T1032-P1070 HydrophobicContact CG2-CG 4.1Å; P1070-I1082 HydrophobicContact CB-CG2 3.83Å |
| 1071 | V | 95.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 133 | 170.4 | -175 | 0 | 0 | 0 | 0 | 109.4 | H701 P732 I734 I1082 V1083 | H701-V1071 HydrophobicContact CB-CG2 4.33Å; P732-V1071 HydrophobicContact CB-CG2 4.47Å; P732-V1071 HydrophobicContact CG-CB 4.05Å; P732-V1071 HydrophobicContact CG-CG2 3.75Å; P732-V1071 WeakPolarHBondContact O-CG2 3.42Å; I734-V1071 HydrophobicContact CB-CG1 4.5Å; I734-V1071 HydrophobicContact CD1-CB 4.19Å; I734-V1071 HydrophobicContact CD1-CG1 3.83Å; I734-V1071 HydrophobicContact CG1-CG1 4.01Å; V1071-I1082 WeakPolarHBondContact O-CA 3.3Å; V1071-V1083 PolarHBondContact N-O 3.39Å; V1071-V1083 VanDerWaalsContact N-O 3.08Å; V1071-V1083 PolarHBondContact O-N 3.02Å |
| 1072 | L | 93.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 139.2 | -179.1 | -50 | -178.9 | 0 | 0 | 0 | 109.9 | L705 L1021 I1030 Y1081 I1082 | L705-L1072 HydrophobicContact CB-CB 4.04Å; L705-L1072 HydrophobicContact CB-CD1 4.27Å; L705-L1072 HydrophobicContact CD2-CB 3.71Å; L1021-L1072 HydrophobicContact CB-CD1 4.22Å; I1030-L1072 HydrophobicContact CB-CD1 4.49Å; I1030-L1072 HydrophobicContact CB-CD2 4.07Å; I1030-L1072 HydrophobicContact CG1-CD1 4.2Å; I1030-L1072 HydrophobicContact CG1-CD2 4.05Å; I1030-L1072 HydrophobicContact CG2-CD2 4.03Å; L1072-Y1081 WeakPolarHBondContact CA-O 3.21Å; L1072-I1082 HydrophobicContact CD2-CB 4.41Å; L1072-I1082 HydrophobicContact CD2-CG1 3.57Å; L1072-I1082 HydrophobicContact CD2-CG2 4.4Å |
| 1073 | Y | 92.4 | Very high | 87.6 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 152.9 | 173.5 | 175.8 | -108.9 | 0 | 0 | 0 | 110.3 | Y699 I734 S736 G744 V760 E1075 Y1081 | Y699-Y1073 AromaticContact CD2-CD2 3.78Å; Y699-Y1073 HydrophobicContact CD2-CD2 3.78Å; Y699-Y1073 HydrophobicContact CD2-CE2 4.34Å; Y699-Y1073 HydrophobicContact CE1-CD2 4.38Å; Y699-Y1073 AromaticContact CE2-CD2 3.46Å; Y699-Y1073 HydrophobicContact CE2-CD2 3.46Å; Y699-Y1073 VanDerWaalsContact CE2-CD2 3.46Å; Y699-Y1073 AromaticContact CE2-CE2 3.64Å; Y699-Y1073 HydrophobicContact CE2-CE2 3.64Å; Y699-Y1073 HydrophobicContact CG-CD2 4.39Å; Y699-Y1073 AromaticContact CZ-CD2 3.79Å; Y699-Y1073 AromaticContact CZ-CE2 3.98Å; I734-Y1073 HydrophobicContact CG2-CD2 3.9Å; I734-Y1073 HydrophobicContact CG2-CG 3.96Å; S736-Y1073 PolarHBondContact OG-OH 2.91Å; G744-Y1073 PolarHBondContact N-OH 3.36Å; G744-Y1073 VanDerWaalsContact N-OH 3.09Å; V760-Y1073 HydrophobicContact CB-CD1 4.03Å; V760-Y1073 HydrophobicContact CB-CE1 4.5Å; V760-Y1073 HydrophobicContact CG1-CD1 3.73Å; V760-Y1073 HydrophobicContact CG1-CG 4.4Å; V760-Y1073 HydrophobicContact CG2-CD1 4.3Å; Y1073-E1075 HydrophobicContact CE1-CG 3.82Å; Y1073-E1075 WeakPolarHBondContact OH-CG 3.18Å; Y1073-Y1081 HydrophobicContact CD1-CD2 4.01Å; Y1073-Y1081 PolarHBondContact N-O 2.91Å; Y1073-Y1081 PolarHBondContact O-N 2.96Å |
| 1074 | S | 87.6 | Confident | 88 | Confident | 16 Ų | 16 | 30.2 Ų | 30.2 | 11% | 0.112 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 135.1 | 177.4 | -178 | 0 | 0 | 0 | 0 | 110.8 | N1076 D1079 | S1074-N1076 PolarHBondContact OG-N 3.17Å; S1074-N1076 PolarHBondContact OG-O 2.87Å; S1074-D1079 WeakPolarHBondContact CA-O 3.48Å; S1074-D1079 VanDerWaalsContact CB-O 3.28Å; S1074-D1079 WeakPolarHBondContact CB-O 3.44Å; S1074-D1079 PolarHBondContact OG-O 2.85Å |
| 1075 | E | 76.6 | Confident | 88.4 | Confident | 83 Ų | 83 | 27 Ų | 27 | 39% | 0.388 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -23.4 | 172.4 | -67 | 175.7 | -146.9 | 0 | 0 | 112.3 | N743 Y1073 | N743-E1075 WeakPolarHBondContact CA-OE1 3.28Å; N743-E1075 WeakPolarHBondContact CB-OE1 3.48Å; N743-E1075 PolarHBondContact ND2-OE1 2.76Å; N743-E1075 PolarHBondContact ND2-OE2 2.89Å; Y1073-E1075 HydrophobicContact CE1-CG 3.82Å; Y1073-E1075 WeakPolarHBondContact OH-CG 3.18Å |
| 1076 | N | 73.4 | Confident | 88.6 | Confident | 61 Ų | 61 | 23.1 Ų | 23.1 | 33% | 0.326 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 159.1 | -170.8 | 78 | 77.4 | 0 | 0 | 0 | 111.2 | S1074 N1078 D1079 | S1074-N1076 PolarHBondContact OG-N 3.17Å; S1074-N1076 PolarHBondContact OG-O 2.87Å; N1076-N1078 PolarHBondContact O-N 3.26Å; N1076-N1078 WeakPolarHBondContact OD1-CB 3.48Å; N1076-N1078 PolarHBondContact OD1-N 3.45Å; N1076-D1079 PolarHBondContact ND2-OD2 2.78Å; N1076-D1079 PolarHBondContact O-N 2.87Å; N1076-D1079 PolarHBondContact OD1-N 3.09Å; N1076-D1079 PolarHBondContact OD1-OD2 3.21Å |
| 1077 | S | 66.2 | Low | 88.8 | Confident | 47 Ų | 47 | 25.1 Ų | 25.1 | 33% | 0.329 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -16.7 | -174.4 | 57.5 | 0 | 0 | 0 | 0 | 116.8 | ||
| 1078 | N | 69.9 | Low | 88.9 | Confident | 86 Ų | 86 | 23.1 Ų | 23.1 | 46% | 0.46 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -24.8 | -169.1 | -45.3 | -31 | 0 | 0 | 0 | 113.5 | N1076 | N1076-N1078 PolarHBondContact O-N 3.26Å; N1076-N1078 WeakPolarHBondContact OD1-CB 3.48Å; N1076-N1078 PolarHBondContact OD1-N 3.45Å |
| 1079 | D | 78.5 | Confident | 88.9 | Confident | 73 Ų | 73 | 25.6 Ų | 25.6 | 39% | 0.39 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 104.2 | -175.1 | -64.3 | -63.9 | 0 | 0 | 0 | 110.4 | S1074 N1076 Y1081 | S1074-D1079 WeakPolarHBondContact CA-O 3.48Å; S1074-D1079 VanDerWaalsContact CB-O 3.28Å; S1074-D1079 WeakPolarHBondContact CB-O 3.44Å; S1074-D1079 PolarHBondContact OG-O 2.85Å; N1076-D1079 PolarHBondContact ND2-OD2 2.78Å; N1076-D1079 PolarHBondContact O-N 2.87Å; N1076-D1079 PolarHBondContact OD1-N 3.09Å; N1076-D1079 PolarHBondContact OD1-OD2 3.21Å; D1079-Y1081 HydrophobicContact CB-CE2 4.04Å |
| 1080 | V | 88.8 | Confident | 89 | Confident | 8 Ų | 8 | 28.6 Ų | 28.6 | 5% | 0.048 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 121.2 | 170.7 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | L705 L707 L1021 S1095 L1096 | L705-V1080 HydrophobicContact CD2-CG1 4.08Å; L707-V1080 HydrophobicContact CD1-CG2 3.67Å; L707-V1080 HydrophobicContact CD2-CG2 4.31Å; L707-V1080 HydrophobicContact CG-CG2 4.47Å; L1021-V1080 HydrophobicContact CD1-CG1 4.43Å; L1021-V1080 HydrophobicContact CD1-CG2 4.08Å; L1021-V1080 HydrophobicContact CD2-CG2 4.18Å; V1080-S1095 CarbonylContact O-C 3.56Å; V1080-S1095 VanDerWaalsContact O-CA 3.27Å; V1080-S1095 WeakPolarHBondContact O-CA 3.39Å; V1080-L1096 HydrophobicContact CB-CB 4.02Å; V1080-L1096 HydrophobicContact CB-CD2 4.48Å; V1080-L1096 HydrophobicContact CG1-CB 4.32Å; V1080-L1096 HydrophobicContact CG1-CD2 4.36Å; V1080-L1096 PolarHBondContact O-N 2.82Å |
| 1081 | Y | 92.8 | Very high | 89.1 | Confident | 31 Ų | 31 | 28.6 Ų | 28.6 | 12% | 0.122 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 142.8 | 174.8 | -59 | -83.7 | 0 | 0 | 0 | 110.8 | L719 V760 L1072 Y1073 D1079 L1094 | L719-Y1081 HydrophobicContact CD1-CD1 3.57Å; L719-Y1081 HydrophobicContact CD1-CE1 3.73Å; V760-Y1081 HydrophobicContact CG1-CD1 4.2Å; V760-Y1081 HydrophobicContact CG1-CD2 4.25Å; V760-Y1081 HydrophobicContact CG1-CG 3.7Å; L1072-Y1081 WeakPolarHBondContact CA-O 3.21Å; Y1073-Y1081 HydrophobicContact CD1-CD2 4.01Å; Y1073-Y1081 PolarHBondContact N-O 2.91Å; Y1073-Y1081 PolarHBondContact O-N 2.96Å; D1079-Y1081 HydrophobicContact CB-CE2 4.04Å; Y1081-L1094 WeakPolarHBondContact CA-O 3.3Å |
| 1082 | I | 94.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.4 | 175.3 | -58.3 | 131 | 0 | 0 | 0 | 108.3 | F716 P1070 V1071 L1072 G1093 L1094 L1096 | F716-I1082 HydrophobicContact CD1-CD1 3.75Å; F716-I1082 HydrophobicContact CE1-CD1 3.59Å; P1070-I1082 HydrophobicContact CB-CG2 3.83Å; V1071-I1082 WeakPolarHBondContact O-CA 3.3Å; L1072-I1082 HydrophobicContact CD2-CB 4.41Å; L1072-I1082 HydrophobicContact CD2-CG1 3.57Å; L1072-I1082 HydrophobicContact CD2-CG2 4.4Å; I1082-G1093 WeakPolarHBondContact O-CA 3.33Å; I1082-L1094 HydrophobicContact CB-CB 4.36Å; I1082-L1094 HydrophobicContact CD1-CB 4.39Å; I1082-L1094 PolarHBondContact N-O 2.97Å; I1082-L1094 PolarHBondContact O-N 3.36Å; I1082-L1096 HydrophobicContact CD1-CB 4.05Å; I1082-L1096 HydrophobicContact CD1-CD1 4.08Å |
| 1083 | V | 96.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.2 | 175.4 | -169.2 | 0 | 0 | 0 | 0 | 110 | W720 P732 I734 A746 V760 V1071 V1091 Y1092 | W720-V1083 HydrophobicContact CH2-CG1 3.96Å; W720-V1083 HydrophobicContact CH2-CG2 4.41Å; W720-V1083 HydrophobicContact CZ2-CG2 4.23Å; P732-V1083 HydrophobicContact CB-CG1 4.28Å; P732-V1083 HydrophobicContact CG-CB 4.02Å; P732-V1083 HydrophobicContact CG-CG1 3.98Å; P732-V1083 WeakPolarHBondContact CG-O 3.49Å; I734-V1083 HydrophobicContact CD1-CB 4.27Å; I734-V1083 HydrophobicContact CD1-CG2 3.85Å; A746-V1083 HydrophobicContact CB-CG1 4.22Å; A746-V1083 HydrophobicContact CB-CG2 4.37Å; V760-V1083 HydrophobicContact CG1-CG2 4.06Å; V1071-V1083 PolarHBondContact N-O 3.39Å; V1071-V1083 VanDerWaalsContact N-O 3.08Å; V1071-V1083 PolarHBondContact O-N 3.02Å; V1083-V1091 HydrophobicContact CG1-CG1 3.74Å; V1083-Y1092 WeakPolarHBondContact CA-O 3.36Å |
| 1084 | T | 97.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 155.5 | 174.4 | -162.6 | 0 | 0 | 0 | 0 | 112.8 | T1032 L1062 S1068 Y1092 | T1032-T1084 HydrophobicContact CG2-CG2 4.31Å; L1062-T1084 HydrophobicContact CD1-CG2 4.04Å; S1068-T1084 VanDerWaalsContact CB-OG1 3.27Å; S1068-T1084 WeakPolarHBondContact CB-OG1 3.43Å; S1068-T1084 PolarHBondContact O-OG1 3.01Å; S1068-T1084 PolarHBondContact OG-OG1 3Å; T1084-Y1092 PolarHBondContact N-O 3.25Å; T1084-Y1092 VanDerWaalsContact N-O 3.1Å; T1084-Y1092 PolarHBondContact O-N 2.9Å |
| 1085 | G | 96.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 153.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V728 C1066 S1068 | V728-G1085 CarbonylContact O-C 3.59Å; V728-G1085 VanDerWaalsContact O-C 3.24Å; V728-G1085 WeakPolarHBondContact O-CA 3.4Å; C1066-G1085 PolarHBondContact SG-O 2.8Å; S1068-G1085 PolarHBondContact OG-N 3.05Å |
| 1086 | C | 95.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -131.1 | 153.5 | 178.8 | -171.4 | 0 | 0 | 0 | 0 | 112.6 | V728 L1062 N1064 D1088 N1089 Y1090 Y1092 | V728-C1086 PolarHBondContact N-O 3.48Å; V728-C1086 PolarHBondContact O-N 3.23Å; L1062-C1086 HydrophobicContact CD1-CB 4.48Å; N1064-C1086 PolarHBondContact O-SG 2.88Å; N1064-C1086 VanDerWaalsContact O-SG 3.39Å; C1086-D1088 VanDerWaalsContact C-N 3.26Å; C1086-D1088 VanDerWaalsContact CB-OD1 3.29Å; C1086-D1088 WeakPolarHBondContact CB-OD1 3.31Å; C1086-D1088 PolarHBondContact O-N 3.42Å; C1086-D1088 PolarHBondContact SG-OD1 2.83Å; C1086-D1088 PolarHBondContact SG-OD2 2.93Å; C1086-N1089 PolarHBondContact O-N 2.79Å; C1086-Y1090 PolarHBondContact N-O 3.47Å; C1086-Y1092 HydrophobicContact CB-CD2 3.85Å; C1086-Y1092 HydrophobicContact CB-CE2 3.72Å | ||
| 1087 | R | 94 | Very high | 90.8 | Very high | 42 Ų | 42 | 25.2 Ų | 25.2 | 16% | 0.158 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -1.7 | 177.8 | -70.3 | -153.6 | 168.8 | 153.5 | 0.2 | 115.1 | C727 D729 N1064 Q1065 F1067 N1089 | C727-R1087 HydrophobicContact CB-CB 4.2Å; C727-R1087 HydrophobicContact CB-CG 3.99Å; C727-R1087 PolarHBondContact SG-O 2.62Å; C727-R1087 VanDerWaalsContact SG-O 3.38Å; D729-R1087 VanDerWaalsContact OD1-CG 3.29Å; D729-R1087 WeakPolarHBondContact OD1-CG 3.42Å; D729-R1087 IonicContact OD1-CZ 2.71Å; D729-R1087 IonicContact OD1-NE 3.76Å; D729-R1087 PolarHBondContact OD1-NE 3.26Å; D729-R1087 IonicContact OD1-NH2 3.87Å; D729-R1087 IonicContact OD2-CZ 3.83Å; D729-R1087 VanDerWaalsContact OD2-CZ 3.27Å; D729-R1087 IonicContact OD2-NE 3.38Å; D729-R1087 PolarHBondContact OD2-NE 2.84Å; D729-R1087 VanDerWaalsContact OD2-NE 3.07Å; D729-R1087 IonicContact OD2-NH2 2.69Å; D729-R1087 PolarHBondContact OD2-NH2 2.83Å; N1064-R1087 VanDerWaalsContact ND2-C 3.3Å; N1064-R1087 PolarHBondContact ND2-O 3.29Å; Q1065-R1087 HydrophobicContact CB-CB 4.19Å; Q1065-R1087 HydrophobicContact CB-CG 4.19Å; Q1065-R1087 WeakPolarHBondContact O-CB 3.23Å; Q1065-R1087 WeakPolarHBondContact O-CG 3.44Å; Q1065-R1087 PolarHBondContact O-N 2.98Å; F1067-R1087 HydrophobicContact CD2-CG 4.25Å; R1087-N1089 PolarHBondContact O-N 2.82Å |
| 1088 | D | 93.2 | Very high | 92.1 | Very high | 26 Ų | 26 | 24 Ų | 24 | 14% | 0.139 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 5.9 | 166.8 | 58.5 | 21.8 | 0 | 0 | 0 | 114.2 | P1063 N1064 C1086 Y1090 Y1092 | P1063-D1088 WeakPolarHBondContact CB-OD2 3.49Å; P1063-D1088 VanDerWaalsContact CD-OD2 3.27Å; P1063-D1088 WeakPolarHBondContact CD-OD2 3.27Å; P1063-D1088 WeakPolarHBondContact CG-OD2 3.48Å; N1064-D1088 HydrophobicContact CB-CB 3.85Å; N1064-D1088 PolarHBondContact ND2-N 3.26Å; C1086-D1088 VanDerWaalsContact C-N 3.26Å; C1086-D1088 VanDerWaalsContact CB-OD1 3.29Å; C1086-D1088 WeakPolarHBondContact CB-OD1 3.31Å; C1086-D1088 PolarHBondContact O-N 3.42Å; C1086-D1088 PolarHBondContact SG-OD1 2.83Å; C1086-D1088 PolarHBondContact SG-OD2 2.93Å; D1088-Y1090 WeakPolarHBondContact O-CD2 3.36Å; D1088-Y1090 WeakPolarHBondContact OD1-CB 3.32Å; D1088-Y1090 PolarHBondContact OD1-N 3.22Å; D1088-Y1092 PolarHBondContact OD2-OH 3.46Å |
| 1089 | N | 95.4 | Very high | 93.3 | Very high | 52 Ų | 52 | 20.6 Ų | 20.6 | 28% | 0.278 | 10% | 0.1 | S | C | . | . | S | Bend | trans | 84.7 | 9.2 | -179.8 | -33.8 | -58.6 | 0 | 0 | 0 | 115.6 | L724 K726 C727 C1086 R1087 | L724-N1089 PolarHBondContact N-O 3.37Å; K726-N1089 WeakPolarHBondContact CA-OD1 3.41Å; K726-N1089 WeakPolarHBondContact O-CA 3.16Å; C727-N1089 PolarHBondContact N-OD1 2.87Å; C727-N1089 VanDerWaalsContact N-OD1 3.12Å; C1086-N1089 PolarHBondContact O-N 2.79Å; R1087-N1089 PolarHBondContact O-N 2.82Å |
| 1090 | Y | 97.1 | Very high | 94.2 | Very high | 69 Ų | 69 | 17.5 Ų | 17.5 | 27% | 0.271 | 8% | 0.083 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 146.9 | -179.9 | -69.2 | -96.5 | 0 | 0 | 0 | 114.1 | Q721 H722 N723 C1086 D1088 | Q721-Y1090 HydrophobicContact CB-CD1 3.86Å; Q721-Y1090 HydrophobicContact CB-CG 4.45Å; Q721-Y1090 HydrophobicContact CG-CD1 3.69Å; Q721-Y1090 HydrophobicContact CG-CE1 3.97Å; H722-Y1090 CarbonylContact O-C 3.56Å; H722-Y1090 VanDerWaalsContact O-CA 3.24Å; H722-Y1090 WeakPolarHBondContact O-CA 3.45Å; N723-Y1090 HydrophobicContact CB-CD1 3.98Å; N723-Y1090 HydrophobicContact CB-CE1 3.64Å; N723-Y1090 PolarHBondContact ND2-OH 3.05Å; C1086-Y1090 PolarHBondContact N-O 3.47Å; D1088-Y1090 WeakPolarHBondContact O-CD2 3.36Å; D1088-Y1090 WeakPolarHBondContact OD1-CB 3.32Å; D1088-Y1090 PolarHBondContact OD1-N 3.22Å |
| 1091 | V | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 139.4 | 155.6 | -173.2 | 0 | 0 | 0 | 0 | 107.4 | W720 Q721 H722 L724 V728 I748 L758 V1083 | W720-V1091 HydrophobicContact CH2-CG1 4.1Å; W720-V1091 HydrophobicContact CZ3-CB 4.31Å; W720-V1091 HydrophobicContact CZ3-CG1 3.87Å; Q721-V1091 CarbonylContact C-O 3.43Å; Q721-V1091 WeakPolarHBondContact CA-O 3.47Å; H722-V1091 HydrophobicContact CB-CB 4.45Å; H722-V1091 PolarHBondContact N-O 3.19Å; H722-V1091 PolarHBondContact O-N 3Å; L724-V1091 HydrophobicContact CD1-CG2 3.59Å; L724-V1091 HydrophobicContact CG-CG2 3.95Å; V728-V1091 HydrophobicContact CG1-CG2 4.23Å; V728-V1091 HydrophobicContact CG2-CG2 4.42Å; I748-V1091 HydrophobicContact CD1-CG1 4.12Å; I748-V1091 HydrophobicContact CD1-CG2 4.13Å; I748-V1091 HydrophobicContact CG1-CG2 4.46Å; I748-V1091 HydrophobicContact CG2-CG1 4.09Å; I748-V1091 HydrophobicContact CG2-CG2 3.64Å; L758-V1091 HydrophobicContact CD1-CB 4.36Å; L758-V1091 HydrophobicContact CD1-CG1 4.21Å; L758-V1091 HydrophobicContact CD1-CG2 4.45Å; V1083-V1091 HydrophobicContact CG1-CG1 3.74Å |
| 1092 | Y | 98 | Very high | 94.6 | Very high | 6 Ų | 6 | 17.2 Ų | 17.2 | 2% | 0.024 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133.6 | 177.7 | -77.8 | -85.5 | 0 | 0 | 0 | 111.5 | F718 Q721 L1062 V1083 T1084 C1086 D1088 | F718-Y1092 HydrophobicContact CD2-CD1 4.17Å; F718-Y1092 HydrophobicContact CD2-CE1 4.42Å; F718-Y1092 AromaticContact CE2-CD1 3.82Å; F718-Y1092 HydrophobicContact CE2-CD1 3.82Å; F718-Y1092 AromaticContact CE2-CE1 3.86Å; F718-Y1092 HydrophobicContact CE2-CE1 3.86Å; Q721-Y1092 HydrophobicContact CB-CD1 3.97Å; Q721-Y1092 HydrophobicContact CB-CE1 3.72Å; Q721-Y1092 VanDerWaalsContact OE1-CZ 3.29Å; Q721-Y1092 PolarHBondContact OE1-OH 3.34Å; L1062-Y1092 HydrophobicContact CD2-CD1 3.97Å; L1062-Y1092 HydrophobicContact CD2-CD2 3.58Å; L1062-Y1092 HydrophobicContact CD2-CE1 4.47Å; L1062-Y1092 HydrophobicContact CD2-CE2 4.09Å; L1062-Y1092 HydrophobicContact CD2-CG 3.51Å; V1083-Y1092 WeakPolarHBondContact CA-O 3.36Å; T1084-Y1092 PolarHBondContact N-O 3.25Å; T1084-Y1092 VanDerWaalsContact N-O 3.1Å; T1084-Y1092 PolarHBondContact O-N 2.9Å; C1086-Y1092 HydrophobicContact CB-CD2 3.85Å; C1086-Y1092 HydrophobicContact CB-CE2 3.72Å; D1088-Y1092 PolarHBondContact OD2-OH 3.46Å |
| 1093 | G | 96.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 124.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L719 W720 I1082 | L719-G1093 WeakPolarHBondContact CB-O 3.28Å; L719-G1093 PolarHBondContact N-O 2.79Å; W720-G1093 PolarHBondContact N-O 2.6Å; W720-G1093 PolarHBondContact O-N 3.11Å; I1082-G1093 WeakPolarHBondContact O-CA 3.33Å |
| 1094 | L | 94.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 153.9 | 174.7 | -48.8 | 177.6 | 0 | 0 | 0 | 109.8 | F716 K717 F718 V1038 Y1060 Y1081 I1082 | F716-L1094 HydrophobicContact CD1-CD1 4.28Å; K717-L1094 CarbonylContact O-C 3.58Å; K717-L1094 VanDerWaalsContact O-CA 3.24Å; K717-L1094 WeakPolarHBondContact O-CA 3.38Å; F718-L1094 HydrophobicContact CB-CD2 4.43Å; F718-L1094 HydrophobicContact CD2-CD2 4.44Å; V1038-L1094 HydrophobicContact CB-CD1 4.45Å; V1038-L1094 HydrophobicContact CG1-CD1 4.28Å; V1038-L1094 HydrophobicContact CG2-CD1 4.2Å; Y1060-L1094 HydrophobicContact CD1-CD1 4Å; Y1060-L1094 HydrophobicContact CD1-CD2 4.03Å; Y1060-L1094 HydrophobicContact CD2-CD2 4.36Å; Y1060-L1094 HydrophobicContact CE1-CD2 3.94Å; Y1060-L1094 HydrophobicContact CE2-CD2 4.28Å; Y1060-L1094 HydrophobicContact CG-CD1 4.05Å; Y1060-L1094 HydrophobicContact CG-CD2 4.26Å; Y1081-L1094 WeakPolarHBondContact CA-O 3.3Å; I1082-L1094 HydrophobicContact CB-CB 4.36Å; I1082-L1094 HydrophobicContact CD1-CB 4.39Å; I1082-L1094 PolarHBondContact N-O 2.97Å; I1082-L1094 PolarHBondContact O-N 3.36Å |
| 1095 | S | 90.7 | Very high | 94.2 | Very high | 17 Ų | 17 | 21.3 Ų | 21.3 | 12% | 0.119 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 157.8 | 155.3 | 72.6 | 0 | 0 | 0 | 0 | 110.2 | F716 K717 V1080 | F716-S1095 WeakPolarHBondContact CA-O 3.25Å; K717-S1095 PolarHBondContact N-O 3.09Å; K717-S1095 PolarHBondContact O-N 3.38Å; V1080-S1095 CarbonylContact O-C 3.56Å; V1080-S1095 VanDerWaalsContact O-CA 3.27Å; V1080-S1095 WeakPolarHBondContact O-CA 3.39Å |
| 1096 | L | 82.7 | Confident | 94.1 | Very high | 40 Ų | 40 | 23.2 Ų | 23.2 | 21% | 0.209 | 11% | 0.111 | C | C | . | . | trans | -92.9 | 0 | 173.1 | -162.3 | 64 | 0 | 0 | 0 | 112.8 | I714 Q715 F716 L1021 L1028 I1030 V1080 I1082 | I714-L1096 HydrophobicContact CG1-CD2 4.37Å; I714-L1096 HydrophobicContact CG1-CG 4.31Å; I714-L1096 HydrophobicContact CG2-CD1 3.52Å; I714-L1096 HydrophobicContact CG2-CD2 4.48Å; I714-L1096 HydrophobicContact CG2-CG 3.88Å; Q715-L1096 PolarHBondContact N-OXT 3.29Å; F716-L1096 HydrophobicContact CD1-CD1 3.63Å; F716-L1096 HydrophobicContact CE1-CD1 3.39Å; F716-L1096 HydrophobicContact CG-CD1 4.35Å; F716-L1096 HydrophobicContact CZ-CD1 3.94Å; L1021-L1096 HydrophobicContact CD2-CD2 3.59Å; L1028-L1096 HydrophobicContact CD2-CD2 3.85Å; I1030-L1096 HydrophobicContact CD1-CD1 3.97Å; I1030-L1096 HydrophobicContact CD1-CD2 4.08Å; V1080-L1096 HydrophobicContact CB-CB 4.02Å; V1080-L1096 HydrophobicContact CB-CD2 4.48Å; V1080-L1096 HydrophobicContact CG1-CB 4.32Å; V1080-L1096 HydrophobicContact CG1-CD2 4.36Å; V1080-L1096 PolarHBondContact O-N 2.82Å; I1082-L1096 HydrophobicContact CD1-CB 4.05Å; I1082-L1096 HydrophobicContact CD1-CD1 4.08Å |
Retrieved 1,096 of 1,096 residues in 1397.2 ms
(Link to these results)