| 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 | 47.4 | Very low | 76.2 | Confident | 212 Ų | 212 | 95.7 Ų | 95.7 | 100% | 1.044 | 48% | 0.484 | S | S | * | . | 0 | -49.6 | 0 | -97 | -178 | -80.3 | 0 | 0 | 111.8 | Q3 T4 E5 | M1-Q3 PolarHBondContact O-N 3.43Å; M1-T4 PolarHBondContact O-N 2.75Å; M1-E5 PolarHBondContact O-N 3.11Å | |||
| 2 | E | 54.5 | Low | 77.2 | Confident | 166 Ų | 166 | 94.8 Ų | 94.8 | 78% | 0.776 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59 | -37.9 | -175.9 | -146.3 | 168.3 | -167.1 | 0 | 0 | 114.8 | V6 | E2-V6 WeakPolarHBondContact O-CG2 3.5Å; E2-V6 PolarHBondContact O-N 3.04Å |
| 3 | Q | 63.7 | Low | 78.2 | Confident | 168 Ų | 168 | 95.5 Ų | 95.5 | 79% | 0.785 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -71.6 | -32.8 | 178.3 | -71.2 | -177.2 | -4.4 | 0 | 0 | 114 | M1 M7 | M1-Q3 PolarHBondContact O-N 3.43Å; Q3-M7 WeakPolarHBondContact O-CG 3.18Å; Q3-M7 PolarHBondContact O-N 2.94Å |
| 4 | T | 72.7 | Confident | 79.2 | Confident | 76 Ų | 76 | 91.4 Ų | 91.4 | 47% | 0.466 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.4 | -40.3 | 179.6 | -48.4 | 0 | 0 | 0 | 0 | 110.6 | M1 M7 V8 F97 | M1-T4 PolarHBondContact O-N 2.75Å; T4-M7 PolarHBondContact O-N 3.04Å; T4-V8 WeakPolarHBondContact O-CG2 3.46Å; T4-V8 PolarHBondContact O-N 2.88Å; T4-F97 HydrophobicContact CG2-CD1 4.19Å; T4-F97 HydrophobicContact CG2-CE1 4.42Å |
| 5 | E | 77.4 | Confident | 79.9 | Confident | 135 Ų | 135 | 85.3 Ų | 85.3 | 63% | 0.631 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 178.2 | -168.5 | 171.6 | -176.8 | 0 | 0 | 111.7 | M1 M7 V8 T9 | M1-E5 PolarHBondContact O-N 3.11Å; E5-M7 VanDerWaalsContact C-N 3.29Å; E5-M7 PolarHBondContact O-N 3.14Å; E5-V8 PolarHBondContact O-N 2.76Å; E5-T9 PolarHBondContact O-N 2.98Å; E5-T9 PolarHBondContact O-OG1 3.33Å |
| 6 | V | 83.8 | Confident | 80.5 | Confident | 78 Ų | 78 | 88 Ų | 88 | 47% | 0.473 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.3 | -40.2 | 174.8 | 173 | 0 | 0 | 0 | 0 | 111.9 | E2 T9 K10 | E2-V6 WeakPolarHBondContact O-CG2 3.5Å; E2-V6 PolarHBondContact O-N 3.04Å; V6-T9 PolarHBondContact O-N 3.38Å; V6-K10 WeakPolarHBondContact O-CG 3.36Å; V6-K10 PolarHBondContact O-N 3Å |
| 7 | M | 86.3 | Confident | 80.7 | Confident | 19 Ų | 19 | 86.8 Ų | 86.8 | 9% | 0.094 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -70.3 | -38 | 178 | -69.1 | -55 | -156 | 0 | 0 | 112.9 | Q3 T4 E5 K10 L11 K29 L67 F97 | Q3-M7 WeakPolarHBondContact O-CG 3.18Å; Q3-M7 PolarHBondContact O-N 2.94Å; T4-M7 PolarHBondContact O-N 3.04Å; E5-M7 VanDerWaalsContact C-N 3.29Å; E5-M7 PolarHBondContact O-N 3.14Å; M7-K10 PolarHBondContact O-N 2.94Å; M7-K10 HydrophobicContact SD-CD 4.16Å; M7-L11 WeakPolarHBondContact O-CB 3.34Å; M7-L11 PolarHBondContact O-N 3.39Å; M7-K29 HydrophobicContact CE-CD 3.72Å; M7-K29 HydrophobicContact CE-CG 4.45Å; M7-K29 VanDerWaalsContact CE-NZ 3.34Å; M7-L67 HydrophobicContact CE-CD2 4.05Å; M7-L67 HydrophobicContact SD-CD2 4.19Å; M7-F97 HydrophobicContact CB-CD1 3.76Å; M7-F97 HydrophobicContact CB-CD2 4.2Å; M7-F97 HydrophobicContact CB-CE1 3.94Å; M7-F97 HydrophobicContact CB-CE2 4.37Å; M7-F97 HydrophobicContact CB-CG 3.91Å; M7-F97 HydrophobicContact CB-CZ 4.24Å; M7-F97 HydrophobicContact CG-CD1 4.32Å; M7-F97 HydrophobicContact CG-CD2 4.48Å; M7-F97 HydrophobicContact CG-CE1 3.99Å; M7-F97 HydrophobicContact CG-CE2 4.17Å; M7-F97 HydrophobicContact CG-CZ 3.92Å |
| 8 | V | 85.7 | Confident | 81 | Confident | 35 Ų | 35 | 86.5 Ų | 86.5 | 21% | 0.212 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65.7 | -39.7 | 174.9 | 174 | 0 | 0 | 0 | 0 | 110.7 | T4 E5 L11 K12 V99 | T4-V8 WeakPolarHBondContact O-CG2 3.46Å; T4-V8 PolarHBondContact O-N 2.88Å; E5-V8 PolarHBondContact O-N 2.76Å; V8-L11 WeakPolarHBondContact O-CB 3.41Å; V8-L11 PolarHBondContact O-N 2.8Å; V8-K12 WeakPolarHBondContact O-CG 3.49Å; V8-K12 PolarHBondContact O-N 3.14Å; V8-V99 HydrophobicContact CG1-CG2 4.43Å |
| 9 | T | 87.4 | Confident | 81.2 | Confident | 71 Ų | 71 | 85.6 Ų | 85.6 | 44% | 0.436 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 173.2 | -50.7 | 0 | 0 | 0 | 0 | 111.8 | E5 V6 L11 K12 N13 | E5-T9 PolarHBondContact O-N 2.98Å; E5-T9 PolarHBondContact O-OG1 3.33Å; V6-T9 PolarHBondContact O-N 3.38Å; T9-L11 VanDerWaalsContact C-N 3.34Å; T9-L11 PolarHBondContact O-N 3.38Å; T9-K12 PolarHBondContact O-N 3.22Å; T9-N13 PolarHBondContact O-N 2.81Å; T9-N13 VanDerWaalsContact O-N 3.09Å; T9-N13 PolarHBondContact O-ND2 2.65Å |
| 10 | K | 88.8 | Confident | 81.6 | Confident | 93 Ų | 93 | 82 Ų | 82 | 40% | 0.404 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 174.4 | -78.2 | -178.2 | 178.2 | -176.5 | 0 | 112 | V6 M7 N13 W14 | V6-K10 WeakPolarHBondContact O-CG 3.36Å; V6-K10 PolarHBondContact O-N 3Å; M7-K10 PolarHBondContact O-N 2.94Å; M7-K10 HydrophobicContact SD-CD 4.16Å; K10-N13 PolarHBondContact O-N 2.87Å; K10-W14 WeakPolarHBondContact O-CB 3.44Å; K10-W14 PolarHBondContact O-N 3.09Å |
| 11 | L | 90.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -57.4 | -51.8 | 175.2 | 170.8 | 59.1 | 0 | 0 | 0 | 111.1 | M7 V8 T9 N13 W14 C15 A25 L27 L69 V99 | M7-L11 WeakPolarHBondContact O-CB 3.34Å; M7-L11 PolarHBondContact O-N 3.39Å; V8-L11 WeakPolarHBondContact O-CB 3.41Å; V8-L11 PolarHBondContact O-N 2.8Å; T9-L11 VanDerWaalsContact C-N 3.34Å; T9-L11 PolarHBondContact O-N 3.38Å; L11-N13 PolarHBondContact O-N 2.96Å; L11-W14 PolarHBondContact O-N 3.38Å; L11-C15 VanDerWaalsContact CD1-SG 3.56Å; L11-C15 WeakPolarHBondContact O-CB 3.37Å; L11-C15 PolarHBondContact O-N 3.15Å; L11-C15 PolarHBondContact O-SG 3.24Å; L11-A25 HydrophobicContact CD1-CB 4.02Å; L11-L27 HydrophobicContact CB-CB 4.17Å; L11-L27 HydrophobicContact CB-CD2 4.24Å; L11-L27 HydrophobicContact CD1-CB 4.07Å; L11-L27 HydrophobicContact CD2-CB 4.44Å; L11-L27 HydrophobicContact CG-CB 4.45Å; L11-L69 HydrophobicContact CD1-CD1 3.44Å; L11-L69 VanDerWaalsContact CD1-CD1 3.44Å; L11-V99 HydrophobicContact CD2-CG2 3.85Å; L11-V99 HydrophobicContact CG-CG2 4.21Å |
| 12 | K | 87.9 | Confident | 83.9 | Confident | 85 Ų | 85 | 75.4 Ų | 75.4 | 37% | 0.37 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -56.2 | -48.8 | 178.6 | -70.2 | -174.8 | 173.5 | -174.1 | 0 | 112.5 | V8 T9 W14 C15 L16 V99 | V8-K12 WeakPolarHBondContact O-CG 3.49Å; V8-K12 PolarHBondContact O-N 3.14Å; T9-K12 PolarHBondContact O-N 3.22Å; K12-W14 VanDerWaalsContact C-N 3.31Å; K12-W14 PolarHBondContact O-N 3.19Å; K12-C15 PolarHBondContact O-N 3.19Å; K12-L16 WeakPolarHBondContact O-CG 3.41Å; K12-L16 PolarHBondContact O-N 3Å; K12-V99 VanDerWaalsContact CE-CG1 3.44Å; K12-V99 HydrophobicContact CG-CG2 3.84Å |
| 13 | N | 90 | Very high | 85.4 | Confident | 103 Ų | 103 | 68.5 Ų | 68.5 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.2 | -37.8 | 179.8 | -69.1 | -21.3 | 0 | 0 | 0 | 112.5 | T9 K10 L11 G17 | T9-N13 PolarHBondContact O-N 2.81Å; T9-N13 VanDerWaalsContact O-N 3.09Å; T9-N13 PolarHBondContact O-ND2 2.65Å; K10-N13 PolarHBondContact O-N 2.87Å; L11-N13 PolarHBondContact O-N 2.96Å; N13-G17 PolarHBondContact O-N 3.24Å |
| 14 | W | 92.6 | Very high | 86.6 | Confident | 38 Ų | 38 | 62.8 Ų | 62.8 | 14% | 0.144 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -73.8 | -39 | 179.3 | -158.1 | -10 | 0 | 0 | 0 | 111.9 | K10 L11 K12 L16 G17 E18 L27 M58 L67 L69 | K10-W14 WeakPolarHBondContact O-CB 3.44Å; K10-W14 PolarHBondContact O-N 3.09Å; L11-W14 PolarHBondContact O-N 3.38Å; K12-W14 VanDerWaalsContact C-N 3.31Å; K12-W14 PolarHBondContact O-N 3.19Å; W14-L16 VanDerWaalsContact C-N 3.31Å; W14-L16 PolarHBondContact O-N 2.98Å; W14-G17 PolarHBondContact O-N 2.88Å; W14-G17 VanDerWaalsContact O-N 3.13Å; W14-E18 PolarHBondContact O-N 2.9Å; W14-L27 HydrophobicContact CE3-CD1 3.78Å; W14-L27 HydrophobicContact CZ3-CD1 3.79Å; W14-M58 HydrophobicContact CH2-CB 3.42Å; W14-M58 VanDerWaalsContact CH2-CB 3.42Å; W14-M58 HydrophobicContact CH2-CE 4.35Å; W14-M58 HydrophobicContact CZ2-CB 4.09Å; W14-M58 HydrophobicContact CZ2-CE 4.31Å; W14-M58 HydrophobicContact CZ3-CB 3.93Å; W14-M58 HydrophobicContact CZ3-CE 4.43Å; W14-L67 HydrophobicContact CZ3-CB 4.16Å; W14-L69 HydrophobicContact CB-CD2 4.2Å; W14-L69 HydrophobicContact CD2-CB 3.99Å; W14-L69 HydrophobicContact CD2-CD2 4.02Å; W14-L69 HydrophobicContact CE3-CB 4.05Å; W14-L69 HydrophobicContact CG-CD2 3.72Å; W14-L69 HydrophobicContact CH2-CB 4.32Å; W14-L69 HydrophobicContact CZ2-CB 4.29Å; W14-L69 HydrophobicContact CZ3-CB 4.21Å |
| 15 | C | 89.5 | Confident | 87.5 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.007 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57 | -43.7 | 171.4 | -71.9 | 0 | 0 | 0 | 0 | 112.1 | L11 K12 G17 E18 G19 I20 E22 A25 | L11-C15 VanDerWaalsContact CD1-SG 3.56Å; L11-C15 WeakPolarHBondContact O-CB 3.37Å; L11-C15 PolarHBondContact O-N 3.15Å; L11-C15 PolarHBondContact O-SG 3.24Å; K12-C15 PolarHBondContact O-N 3.19Å; C15-G17 VanDerWaalsContact C-N 3.31Å; C15-G17 PolarHBondContact O-N 3.31Å; C15-E18 PolarHBondContact O-N 3.38Å; C15-G19 PolarHBondContact O-N 3.09Å; C15-I20 WeakPolarHBondContact CB-O 3.14Å; C15-I20 PolarHBondContact O-N 3.48Å; C15-E22 HydrophobicContact CB-CG 4.16Å; C15-A25 WeakPolarHBondContact SG-CB 3.44Å |
| 16 | L | 88.7 | Confident | 88.3 | Confident | 128 Ų | 128 | 52.8 Ų | 52.8 | 67% | 0.67 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.4 | -40.7 | 174.9 | -73.6 | 168.9 | 0 | 0 | 0 | 112.3 | K12 W14 | K12-L16 WeakPolarHBondContact O-CG 3.41Å; K12-L16 PolarHBondContact O-N 3Å; W14-L16 VanDerWaalsContact C-N 3.31Å; W14-L16 PolarHBondContact O-N 2.98Å |
| 17 | G | 84.3 | Confident | 88.8 | Confident | 67 Ų | 67 | 49.1 Ų | 49.1 | 69% | 0.691 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -69.8 | -35.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N13 W14 C15 | N13-G17 PolarHBondContact O-N 3.24Å; W14-G17 PolarHBondContact O-N 2.88Å; W14-G17 VanDerWaalsContact O-N 3.13Å; C15-G17 VanDerWaalsContact C-N 3.31Å; C15-G17 PolarHBondContact O-N 3.31Å |
| 18 | E | 86.2 | Confident | 89.1 | Confident | 82 Ų | 82 | 48.2 Ų | 48.2 | 38% | 0.383 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -93.4 | -2.8 | -177.9 | -70.4 | -68.6 | 157.7 | 0 | 0 | 113.7 | W14 C15 I20 R55 L69 | W14-E18 PolarHBondContact O-N 2.9Å; C15-E18 PolarHBondContact O-N 3.38Å; E18-I20 VanDerWaalsContact C-N 3.35Å; E18-I20 HydrophobicContact CB-CD1 3.67Å; E18-I20 HydrophobicContact CB-CG1 3.96Å; E18-R55 IonicContact OE2-NH1 2.68Å; E18-L69 HydrophobicContact CB-CD2 4.31Å; E18-L69 HydrophobicContact CG-CD2 4.06Å |
| 19 | G | 85.9 | Confident | 89.4 | Confident | 70 Ų | 70 | 47.6 Ų | 47.6 | 72% | 0.722 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 32.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | C15 | C15-G19 PolarHBondContact O-N 3.09Š|
| 20 | I | 88.9 | Confident | 89.7 | Confident | 12 Ų | 12 | 44.2 Ų | 44.2 | 6% | 0.062 | 25% | 0.251 | C | S | . | . | trans | -99.3 | 139 | -178.3 | -59.2 | 165.6 | 0 | 0 | 0 | 109.3 | C15 E18 E22 A25 R55 L69 E71 | C15-I20 WeakPolarHBondContact CB-O 3.14Å; C15-I20 PolarHBondContact O-N 3.48Å; E18-I20 VanDerWaalsContact C-N 3.35Å; E18-I20 HydrophobicContact CB-CD1 3.67Å; E18-I20 HydrophobicContact CB-CG1 3.96Å; I20-E22 PolarHBondContact O-N 3.35Å; I20-A25 HydrophobicContact CG2-CB 3.9Å; I20-R55 HydrophobicContact CD1-CB 3.54Å; I20-R55 HydrophobicContact CD1-CG 3.64Å; I20-L69 HydrophobicContact CD1-CD2 3.78Å; I20-L69 HydrophobicContact CD1-CG 4.32Å; I20-E71 HydrophobicContact CG2-CB 4.26Å; I20-E71 HydrophobicContact CG2-CG 4.13Å | ||
| 21 | N | 86.8 | Confident | 89.7 | Confident | 95 Ų | 95 | 42.1 Ų | 42.1 | 51% | 0.508 | 25% | 0.247 | S | C | . | . | trans | -70.8 | 124.8 | 175.1 | -173.8 | -28.7 | 0 | 0 | 0 | 110.4 | S23 H24 A25 | N21-S23 VanDerWaalsContact CG-OG 3.28Å; N21-S23 PolarHBondContact ND2-OG 3.15Å; N21-S23 PolarHBondContact O-N 2.83Å; N21-S23 VanDerWaalsContact O-N 3.17Å; N21-S23 PolarHBondContact OD1-N 3.28Å; N21-S23 PolarHBondContact OD1-OG 2.9Å; N21-H24 PolarHBondContact O-N 3.01Å; N21-A25 PolarHBondContact O-N 2.84Å | ||
| 22 | E | 89 | Confident | 89.4 | Confident | 61 Ų | 61 | 47.2 Ų | 47.2 | 29% | 0.285 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -54.3 | -34.8 | -179.6 | -63.6 | -178.4 | -173.4 | 0 | 0 | 113.5 | C15 I20 H24 A25 V99 | C15-E22 HydrophobicContact CB-CG 4.16Å; I20-E22 PolarHBondContact O-N 3.35Å; E22-H24 PolarHBondContact O-N 3.42Å; E22-A25 PolarHBondContact O-N 3.01Å; E22-V99 HydrophobicContact CB-CB 4.45Å; E22-V99 HydrophobicContact CB-CG2 4.11Å |
| 23 | S | 86.1 | Confident | 89.3 | Confident | 21 Ų | 21 | 50.2 Ų | 50.2 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -72.3 | -6.5 | 178.5 | 63.1 | 0 | 0 | 0 | 0 | 113.9 | N21 K75 L76 | N21-S23 VanDerWaalsContact CG-OG 3.28Å; N21-S23 PolarHBondContact ND2-OG 3.15Å; N21-S23 PolarHBondContact O-N 2.83Å; N21-S23 VanDerWaalsContact O-N 3.17Å; N21-S23 PolarHBondContact OD1-N 3.28Å; N21-S23 PolarHBondContact OD1-OG 2.9Å; S23-K75 CarbonylContact O-C 3.51Å; S23-K75 WeakPolarHBondContact O-CA 3.36Å; S23-L76 PolarHBondContact O-N 3.41Å |
| 24 | H | 90 | Very high | 89.2 | Confident | 49 Ų | 49 | 46 Ų | 46 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -119.3 | 7.8 | 176.3 | -74.4 | -90.3 | 0 | 0 | 0 | 112.1 | N21 E22 C72 R73 E74 K75 | N21-H24 PolarHBondContact O-N 3.01Å; E22-H24 PolarHBondContact O-N 3.42Å; H24-C72 PolarHBondContact ND1-O 2.81Å; H24-C72 WeakPolarHBondContact O-CB 3.25Å; H24-C72 PolarHBondContact O-N 2.76Å; H24-R73 PolarHBondContact CE1-O 3.36Å; H24-R73 PolarHBondContact ND1-O 2.67Å; H24-E74 PolarHBondContact ND1-O 3.08Å; H24-E74 VanDerWaalsContact ND1-O 3.1Å; H24-K75 PolarHBondContact CE1-N 3.06Å |
| 25 | A | 91.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 140.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L11 C15 I20 N21 E22 L69 C70 L76 | L11-A25 HydrophobicContact CD1-CB 4.02Å; C15-A25 WeakPolarHBondContact SG-CB 3.44Å; I20-A25 HydrophobicContact CG2-CB 3.9Å; N21-A25 PolarHBondContact O-N 2.84Å; E22-A25 PolarHBondContact O-N 3.01Å; A25-L69 HydrophobicContact CB-CD1 4.42Å; A25-C70 WeakPolarHBondContact CA-O 3.32Å; A25-L76 WeakPolarHBondContact O-CD1 3.28Å |
| 26 | L | 93.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 153.7 | 169.5 | 73.5 | 82.6 | 0 | 0 | 0 | 110.9 | T28 L43 L49 C70 C72 L76 V96 F97 I98 | L26-T28 HydrophobicContact CD1-CG2 4.41Å; L26-L43 HydrophobicContact CD1-CD1 4.04Å; L26-L43 HydrophobicContact CD1-CD2 4.33Å; L26-L49 HydrophobicContact CD2-CD1 3.51Å; L26-L49 HydrophobicContact CD2-CD2 4.12Å; L26-L49 HydrophobicContact CD2-CG 4.43Å; L26-C70 HydrophobicContact CD1-CB 3.73Å; L26-C70 HydrophobicContact CG-CB 3.82Å; L26-C70 PolarHBondContact N-O 3.48Å; L26-C70 PolarHBondContact O-N 3.24Å; L26-C72 VanDerWaalsContact CD2-SG 3.52Å; L26-L76 HydrophobicContact CB-CD1 4.12Å; L26-V96 HydrophobicContact CB-CG1 4.48Å; L26-F97 WeakPolarHBondContact CA-O 3.45Å; L26-I98 HydrophobicContact CB-CG2 3.93Å |
| 27 | L | 93.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 138.8 | 172.6 | -166.5 | 71.2 | 0 | 0 | 0 | 109.1 | L11 W14 L67 V68 L69 F97 | L11-L27 HydrophobicContact CB-CB 4.17Å; L11-L27 HydrophobicContact CB-CD2 4.24Å; L11-L27 HydrophobicContact CD1-CB 4.07Å; L11-L27 HydrophobicContact CD2-CB 4.44Å; L11-L27 HydrophobicContact CG-CB 4.45Å; W14-L27 HydrophobicContact CE3-CD1 3.78Å; W14-L27 HydrophobicContact CZ3-CD1 3.79Å; L27-L67 HydrophobicContact CD1-CD2 4.42Å; L27-L67 HydrophobicContact CD2-CD2 3.98Å; L27-L67 HydrophobicContact CG-CD2 4.08Å; L27-V68 WeakPolarHBondContact CA-O 3.41Å; L27-L69 HydrophobicContact CD1-CB 4.44Å; L27-F97 HydrophobicContact CB-CB 4.21Å; L27-F97 HydrophobicContact CB-CD2 4.42Å; L27-F97 PolarHBondContact N-O 3.42Å; L27-F97 WeakPolarHBondContact O-CD2 3.38Å; L27-F97 PolarHBondContact O-N 3.5Å |
| 28 | T | 93.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 161.2 | 174.7 | -170.5 | 0 | 0 | 0 | 0 | 112 | L26 V30 L43 L67 V68 P95 | L26-T28 HydrophobicContact CD1-CG2 4.41Å; T28-V30 HydrophobicContact CG2-CG1 4.04Å; T28-L43 HydrophobicContact CG2-CD1 4.19Å; T28-L67 WeakPolarHBondContact O-CA 3.35Å; T28-V68 HydrophobicContact CG2-CB 3.97Å; T28-V68 PolarHBondContact N-O 2.85Å; T28-V68 PolarHBondContact O-N 3.32Å; T28-P95 VanDerWaalsContact CA-O 3.28Å; T28-P95 WeakPolarHBondContact CA-O 3.28Å; T28-P95 VanDerWaalsContact CB-O 3.3Å; T28-P95 WeakPolarHBondContact CB-O 3.46Å; T28-P95 PolarHBondContact OG1-O 2.89Å |
| 29 | K | 92.6 | Very high | 90 | Very high | 22 Ų | 22 | 46 Ų | 46 | 10% | 0.096 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 125.8 | 175.8 | -68.1 | -171.9 | 128.3 | -172.6 | 0 | 109.9 | M7 D60 T63 I66 L67 P95 F97 | M7-K29 HydrophobicContact CE-CD 3.72Å; M7-K29 HydrophobicContact CE-CG 4.45Å; M7-K29 VanDerWaalsContact CE-NZ 3.34Å; K29-D60 WeakPolarHBondContact CE-OD2 3.18Å; K29-D60 IonicContact NZ-OD2 3.52Å; K29-D60 PolarHBondContact NZ-OD2 3.04Å; K29-T63 PolarHBondContact NZ-OG1 3.14Å; K29-T63 VanDerWaalsContact NZ-OG1 3.11Å; K29-I66 WeakPolarHBondContact CA-O 3.48Å; K29-L67 HydrophobicContact CD-CD2 4.32Å; K29-L67 HydrophobicContact CG-CD2 3.67Å; K29-L67 HydrophobicContact CG-CG 4.28Å; K29-P95 HydrophobicContact CB-CG 3.91Å; K29-P95 HydrophobicContact CD-CG 4.49Å; K29-P95 HydrophobicContact CG-CG 4.29Å; K29-F97 HydrophobicContact CG-CE2 4.47Å |
| 30 | V | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 156.7 | -176.5 | -51.6 | 0 | 0 | 0 | 0 | 111.6 | T28 I39 I66 V68 W94 | T28-V30 HydrophobicContact CG2-CG1 4.04Å; V30-I39 HydrophobicContact CG1-CG1 4.33Å; V30-I39 HydrophobicContact CG2-CD1 3.97Å; V30-I39 HydrophobicContact CG2-CG1 4.42Å; V30-I66 HydrophobicContact CG2-CB 4Å; V30-I66 HydrophobicContact CG2-CG2 4.46Å; V30-I66 PolarHBondContact N-O 3.3Å; V30-I66 PolarHBondContact O-N 2.96Å; V30-V68 HydrophobicContact CG1-CG2 4.28Å; V30-V68 HydrophobicContact CG2-CG2 3.57Å; V30-W94 HydrophobicContact CB-CD2 4.35Å; V30-W94 HydrophobicContact CB-CZ2 4.35Å; V30-W94 HydrophobicContact CG1-CD2 3.57Å; V30-W94 HydrophobicContact CG1-CE3 3.61Å; V30-W94 HydrophobicContact CG1-CG 4.09Å; V30-W94 HydrophobicContact CG1-CH2 4.19Å; V30-W94 HydrophobicContact CG1-CZ2 4.15Å; V30-W94 HydrophobicContact CG1-CZ3 3.93Å |
| 31 | P | 90.1 | Very high | 90.6 | Very high | 49 Ų | 49 | 50 Ų | 50 | 32% | 0.318 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 153.7 | 172.5 | -24.3 | 33.7 | 0 | 0 | 0 | 113.8 | N33 T34 | P31-N33 PolarHBondContact O-N 2.7Å; P31-N33 VanDerWaalsContact O-N 3.15Å; P31-T34 WeakPolarHBondContact CD-OG1 3.41Å; P31-T34 WeakPolarHBondContact O-CB 3.21Å; P31-T34 PolarHBondContact O-N 2.78Å; P31-T34 PolarHBondContact O-OG1 3.12Å; P31-T34 VanDerWaalsContact O-OG1 3.12Å |
| 32 | Q | 85.3 | Confident | 90.8 | Very high | 107 Ų | 107 | 45.5 Ų | 45.5 | 50% | 0.5 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -31.7 | -175.2 | -168.1 | -177.5 | 12.7 | 0 | 0 | 114.4 | I66 | Q32-I66 HydrophobicContact CB-CD1 4.47Å; Q32-I66 HydrophobicContact CG-CD1 4.24Å; Q32-I66 VanDerWaalsContact O-CD1 3.28Å; Q32-I66 WeakPolarHBondContact O-CD1 3.33Å |
| 33 | N | 84.6 | Confident | 90.9 | Very high | 149 Ų | 149 | 42.6 Ų | 42.6 | 80% | 0.797 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 10.7 | -175 | -62.2 | -35.9 | 0 | 0 | 0 | 113.7 | P31 | P31-N33 PolarHBondContact O-N 2.7Å; P31-N33 VanDerWaalsContact O-N 3.15Å |
| 34 | T | 88.4 | Confident | 91.2 | Very high | 13 Ų | 13 | 45 Ų | 45 | 8% | 0.08 | 23% | 0.234 | C | C | . | . | trans | -80.2 | 124.3 | -178.4 | -51.4 | 0 | 0 | 0 | 0 | 111.2 | P31 Q38 I39 W94 | P31-T34 WeakPolarHBondContact CD-OG1 3.41Å; P31-T34 WeakPolarHBondContact O-CB 3.21Å; P31-T34 PolarHBondContact O-N 2.78Å; P31-T34 PolarHBondContact O-OG1 3.12Å; P31-T34 VanDerWaalsContact O-OG1 3.12Å; T34-Q38 HydrophobicContact CG2-CB 4.27Å; T34-Q38 HydrophobicContact CG2-CG 4.26Å; T34-I39 HydrophobicContact CG2-CD1 4.17Å; T34-I39 HydrophobicContact CG2-CG1 3.55Å; T34-W94 HydrophobicContact CG2-CH2 3.67Å; T34-W94 HydrophobicContact CG2-CZ2 3.62Å | ||
| 35 | E | 91.1 | Very high | 91.2 | Very high | 137 Ų | 137 | 45.6 Ų | 45.6 | 64% | 0.64 | 24% | 0.24 | S | C | * | . | trans | -74.7 | 150.9 | 179 | -65.3 | -169.9 | 174.6 | 0 | 0 | 112.5 | A37 Q38 I39 | E35-A37 VanDerWaalsContact C-N 3.29Å; E35-A37 PolarHBondContact O-N 2.86Å; E35-Q38 HydrophobicContact CB-CB 4.5Å; E35-Q38 WeakPolarHBondContact O-CB 3.36Å; E35-Q38 PolarHBondContact O-N 3.41Å; E35-Q38 VanDerWaalsContact O-N 3.11Å; E35-I39 WeakPolarHBondContact O-CG1 3.44Å; E35-I39 PolarHBondContact O-N 2.83Å | ||
| 36 | V | 92.3 | Very high | 91 | Very high | 47 Ų | 47 | 46.3 Ų | 46.3 | 29% | 0.285 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.1 | -42.2 | 179.6 | 172.5 | 0 | 0 | 0 | 0 | 112 | Q38 I39 E40 V54 | V36-Q38 VanDerWaalsContact C-N 3.3Å; V36-Q38 PolarHBondContact O-N 3.47Å; V36-I39 PolarHBondContact O-N 3.42Å; V36-E40 HydrophobicContact CG1-CG 4.36Å; V36-E40 WeakPolarHBondContact O-CG 3.42Å; V36-E40 PolarHBondContact O-N 2.91Å; V36-V54 HydrophobicContact CG1-CB 3.83Å; V36-V54 HydrophobicContact CG1-CG2 3.92Å |
| 37 | A | 91.3 | Very high | 90.8 | Very high | 61 Ų | 61 | 54.5 Ų | 54.5 | 50% | 0.504 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E35 I39 E40 E41 | E35-A37 VanDerWaalsContact C-N 3.29Å; E35-A37 PolarHBondContact O-N 2.86Å; A37-I39 VanDerWaalsContact C-N 3.34Å; A37-I39 PolarHBondContact O-N 3.34Å; A37-E40 PolarHBondContact O-N 2.91Å; A37-E41 VanDerWaalsContact O-CB 3.32Å; A37-E41 WeakPolarHBondContact O-CB 3.47Å; A37-E41 PolarHBondContact O-N 3.06Å |
| 38 | Q | 91 | Very high | 90.4 | Very high | 71 Ų | 71 | 56.8 Ų | 56.8 | 33% | 0.332 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.2 | -37.3 | 177.3 | -171.8 | 179.9 | 7.4 | 0 | 0 | 111.8 | T34 E35 V36 T42 | T34-Q38 HydrophobicContact CG2-CB 4.27Å; T34-Q38 HydrophobicContact CG2-CG 4.26Å; E35-Q38 HydrophobicContact CB-CB 4.5Å; E35-Q38 WeakPolarHBondContact O-CB 3.36Å; E35-Q38 PolarHBondContact O-N 3.41Å; E35-Q38 VanDerWaalsContact O-N 3.11Å; V36-Q38 VanDerWaalsContact C-N 3.3Å; V36-Q38 PolarHBondContact O-N 3.47Å; Q38-T42 VanDerWaalsContact O-CB 3.25Å; Q38-T42 WeakPolarHBondContact O-CB 3.24Å; Q38-T42 PolarHBondContact O-N 3.06Å; Q38-T42 PolarHBondContact O-OG1 3.12Å |
| 39 | I | 92.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -48.7 | 176.6 | -61.5 | 161.1 | 0 | 0 | 0 | 110.6 | V30 T34 E35 V36 A37 T42 L43 V54 V68 W94 | V30-I39 HydrophobicContact CG1-CG1 4.33Å; V30-I39 HydrophobicContact CG2-CD1 3.97Å; V30-I39 HydrophobicContact CG2-CG1 4.42Å; T34-I39 HydrophobicContact CG2-CD1 4.17Å; T34-I39 HydrophobicContact CG2-CG1 3.55Å; E35-I39 WeakPolarHBondContact O-CG1 3.44Å; E35-I39 PolarHBondContact O-N 2.83Å; V36-I39 PolarHBondContact O-N 3.42Å; A37-I39 VanDerWaalsContact C-N 3.34Å; A37-I39 PolarHBondContact O-N 3.34Å; I39-T42 PolarHBondContact O-N 3.12Å; I39-L43 HydrophobicContact CG2-CD1 3.8Å; I39-L43 WeakPolarHBondContact O-CB 3.16Å; I39-L43 WeakPolarHBondContact O-CG 3.25Å; I39-L43 PolarHBondContact O-N 2.93Å; I39-V54 HydrophobicContact CB-CG2 4.23Å; I39-V54 HydrophobicContact CG2-CG2 3.92Å; I39-V68 HydrophobicContact CD1-CG2 4.11Å; I39-V68 HydrophobicContact CG2-CG1 4.29Å; I39-W94 HydrophobicContact CB-CH2 4.41Å; I39-W94 HydrophobicContact CB-CZ3 4.24Å; I39-W94 HydrophobicContact CG1-CH2 4Å; I39-W94 HydrophobicContact CG1-CZ3 4.19Å; I39-W94 HydrophobicContact CG2-CZ3 4.16Å |
| 40 | E | 94.6 | Very high | 89.9 | Confident | 51 Ų | 51 | 57 Ų | 57 | 24% | 0.238 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 178.6 | -68.6 | -176.3 | 173.2 | 0 | 0 | 111.7 | V36 A37 Q44 R53 V54 | V36-E40 HydrophobicContact CG1-CG 4.36Å; V36-E40 WeakPolarHBondContact O-CG 3.42Å; V36-E40 PolarHBondContact O-N 2.91Å; A37-E40 PolarHBondContact O-N 2.91Å; E40-Q44 VanDerWaalsContact O-CB 3.27Å; E40-Q44 WeakPolarHBondContact O-CB 3.38Å; E40-Q44 WeakPolarHBondContact O-CG 3.2Å; E40-Q44 PolarHBondContact O-N 3.23Å; E40-R53 VanDerWaalsContact OE1-CA 3.31Å; E40-R53 WeakPolarHBondContact OE1-CA 3.15Å; E40-V54 HydrophobicContact CG-CG2 3.89Å; E40-V54 PolarHBondContact OE1-N 3.18Å |
| 41 | E | 92.8 | Very high | 89.9 | Confident | 116 Ų | 116 | 64 Ų | 64 | 54% | 0.542 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 179 | -165.2 | -178 | -174.1 | 0 | 0 | 111.9 | A37 Q44 T45 L88 | A37-E41 VanDerWaalsContact O-CB 3.32Å; A37-E41 WeakPolarHBondContact O-CB 3.47Å; A37-E41 PolarHBondContact O-N 3.06Å; E41-Q44 PolarHBondContact O-N 2.92Å; E41-T45 PolarHBondContact O-N 3.35Å; E41-L88 HydrophobicContact CB-CD1 4.08Å; E41-L88 HydrophobicContact CG-CD1 3.7Å |
| 42 | T | 91.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65 | -46.2 | 178.9 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | Q38 I39 Q44 T45 V85 T87 W94 | Q38-T42 VanDerWaalsContact O-CB 3.25Å; Q38-T42 WeakPolarHBondContact O-CB 3.24Å; Q38-T42 PolarHBondContact O-N 3.06Å; Q38-T42 PolarHBondContact O-OG1 3.12Å; I39-T42 PolarHBondContact O-N 3.12Å; T42-Q44 VanDerWaalsContact C-N 3.31Å; T42-Q44 PolarHBondContact O-N 2.94Å; T42-T45 VanDerWaalsContact O-CB 3.31Å; T42-T45 WeakPolarHBondContact O-CB 3.15Å; T42-T45 VanDerWaalsContact O-CG2 3.28Å; T42-T45 WeakPolarHBondContact O-CG2 3.44Å; T42-T45 PolarHBondContact O-N 3.48Å; T42-T45 VanDerWaalsContact O-N 3.17Å; T42-T45 PolarHBondContact O-OG1 2.85Å; T42-V85 HydrophobicContact CG2-CG1 4.38Å; T42-V85 HydrophobicContact CG2-CG2 4.09Å; T42-T87 HydrophobicContact CG2-CG2 4.31Å; T42-W94 HydrophobicContact CG2-CE3 3.99Å; T42-W94 HydrophobicContact CG2-CH2 4.14Å; T42-W94 HydrophobicContact CG2-CZ3 3.7Å |
| 43 | L | 91.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68 | -31.5 | 178.3 | -69.2 | 169.8 | 0 | 0 | 0 | 112.2 | L26 T28 I39 T45 I46 L49 V52 C70 V85 V96 | L26-L43 HydrophobicContact CD1-CD1 4.04Å; L26-L43 HydrophobicContact CD1-CD2 4.33Å; T28-L43 HydrophobicContact CG2-CD1 4.19Å; I39-L43 HydrophobicContact CG2-CD1 3.8Å; I39-L43 WeakPolarHBondContact O-CB 3.16Å; I39-L43 WeakPolarHBondContact O-CG 3.25Å; I39-L43 PolarHBondContact O-N 2.93Å; L43-T45 PolarHBondContact O-N 3.5Å; L43-I46 WeakPolarHBondContact O-CB 3.4Å; L43-I46 PolarHBondContact O-N 3.43Å; L43-L49 HydrophobicContact CB-CD1 4.47Å; L43-V52 HydrophobicContact CB-CB 4.36Å; L43-V52 HydrophobicContact CB-CG1 4.06Å; L43-V52 HydrophobicContact CB-CG2 4.14Å; L43-V52 HydrophobicContact CD1-CG1 3.99Å; L43-C70 HydrophobicContact CD1-CB 4.3Å; L43-C70 VanDerWaalsContact CD1-SG 3.54Å; L43-V85 HydrophobicContact CD2-CG1 4.04Å; L43-V96 HydrophobicContact CD2-CG2 4.41Å |
| 44 | Q | 92.3 | Very high | 91.1 | Very high | 72 Ų | 72 | 56.8 Ų | 56.8 | 34% | 0.336 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -6.1 | 174.6 | -74.8 | 172.2 | 30 | 0 | 0 | 114.2 | E40 E41 T42 I46 K47 V52 | E40-Q44 VanDerWaalsContact O-CB 3.27Å; E40-Q44 WeakPolarHBondContact O-CB 3.38Å; E40-Q44 WeakPolarHBondContact O-CG 3.2Å; E40-Q44 PolarHBondContact O-N 3.23Å; E41-Q44 PolarHBondContact O-N 2.92Å; T42-Q44 VanDerWaalsContact C-N 3.31Å; T42-Q44 PolarHBondContact O-N 2.94Å; Q44-I46 PolarHBondContact O-N 3.36Å; Q44-K47 PolarHBondContact O-NZ 2.84Å; Q44-V52 HydrophobicContact CG-CB 4.03Å; Q44-V52 HydrophobicContact CG-CG2 3.97Å; Q44-V52 PolarHBondContact NE2-O 3.16Å |
| 45 | T | 88.9 | Confident | 91.3 | Very high | 60 Ų | 60 | 61 Ų | 61 | 37% | 0.368 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -31.4 | 166.1 | 66.8 | 0 | 0 | 0 | 0 | 111.2 | E41 T42 L43 K47 L88 | E41-T45 PolarHBondContact O-N 3.35Å; T42-T45 VanDerWaalsContact O-CB 3.31Å; T42-T45 WeakPolarHBondContact O-CB 3.15Å; T42-T45 VanDerWaalsContact O-CG2 3.28Å; T42-T45 WeakPolarHBondContact O-CG2 3.44Å; T42-T45 PolarHBondContact O-N 3.48Å; T42-T45 VanDerWaalsContact O-N 3.17Å; T42-T45 PolarHBondContact O-OG1 2.85Å; L43-T45 PolarHBondContact O-N 3.5Å; T45-K47 PolarHBondContact O-N 2.88Å; T45-K47 VanDerWaalsContact O-N 3.12Å; T45-L88 HydrophobicContact CG2-CD2 4.26Å |
| 46 | I | 89 | Confident | 91.3 | Very high | 16 Ų | 16 | 54.9 Ų | 54.9 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -77.4 | 96.5 | 174.6 | -52.4 | 170 | 0 | 0 | 0 | 108.8 | L43 Q44 C48 L49 P82 V85 V96 | L43-I46 WeakPolarHBondContact O-CB 3.4Å; L43-I46 PolarHBondContact O-N 3.43Å; Q44-I46 PolarHBondContact O-N 3.36Å; I46-C48 VanDerWaalsContact C-N 3.26Å; I46-C48 WeakPolarHBondContact CG2-SG 3.25Å; I46-C48 PolarHBondContact O-N 3.36Å; I46-C48 VanDerWaalsContact O-N 3.17Å; I46-L49 HydrophobicContact CB-CD1 3.76Å; I46-L49 HydrophobicContact CB-CG 3.83Å; I46-L49 HydrophobicContact CD1-CD1 3.84Å; I46-L49 HydrophobicContact CG1-CD1 4.35Å; I46-L49 HydrophobicContact CG2-CD1 4.07Å; I46-L49 HydrophobicContact CG2-CD2 4.38Å; I46-L49 HydrophobicContact CG2-CG 3.72Å; I46-L49 WeakPolarHBondContact O-CB 3.02Å; I46-L49 PolarHBondContact O-N 2.87Å; I46-P82 HydrophobicContact CD1-CG 3.82Å; I46-P82 HydrophobicContact CG1-CG 4.04Å; I46-P82 HydrophobicContact CG2-CG 4.27Å; I46-V85 HydrophobicContact CD1-CB 4.08Å; I46-V85 HydrophobicContact CD1-CG2 4.06Å; I46-V85 HydrophobicContact CG1-CG2 4.14Å; I46-V96 HydrophobicContact CD1-CG2 4.42Å |
| 47 | K | 88 | Confident | 91.3 | Very high | 172 Ų | 172 | 59.7 Ų | 59.7 | 75% | 0.748 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -60.9 | -29.5 | -170.2 | -60 | -56.5 | 175.2 | -162.5 | 0 | 114.7 | Q44 T45 L49 G50 | Q44-K47 PolarHBondContact O-NZ 2.84Å; T45-K47 PolarHBondContact O-N 2.88Å; T45-K47 VanDerWaalsContact O-N 3.12Å; K47-L49 PolarHBondContact O-N 2.86Å; K47-G50 PolarHBondContact O-N 3.49Å |
| 48 | C | 85.9 | Confident | 91.3 | Very high | 48 Ų | 48 | 61.4 Ų | 61.4 | 32% | 0.324 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -70.4 | -14.1 | 178.3 | 60 | 0 | 0 | 0 | 0 | 113.8 | I46 E74 D80 | I46-C48 VanDerWaalsContact C-N 3.26Å; I46-C48 WeakPolarHBondContact CG2-SG 3.25Å; I46-C48 PolarHBondContact O-N 3.36Å; I46-C48 VanDerWaalsContact O-N 3.17Å; C48-E74 WeakPolarHBondContact O-CB 3.45Å; C48-D80 HydrophobicContact CB-CB 4.45Å; C48-D80 PolarHBondContact SG-O 3.49Å |
| 49 | L | 87.7 | Confident | 91.2 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -80.7 | -19 | 175.7 | -55.2 | -175.5 | 0 | 0 | 0 | 113.1 | L26 L43 I46 K47 R51 V52 C72 L76 I81 | L26-L49 HydrophobicContact CD2-CD1 3.51Å; L26-L49 HydrophobicContact CD2-CD2 4.12Å; L26-L49 HydrophobicContact CD2-CG 4.43Å; L43-L49 HydrophobicContact CB-CD1 4.47Å; I46-L49 HydrophobicContact CB-CD1 3.76Å; I46-L49 HydrophobicContact CB-CG 3.83Å; I46-L49 HydrophobicContact CD1-CD1 3.84Å; I46-L49 HydrophobicContact CG1-CD1 4.35Å; I46-L49 HydrophobicContact CG2-CD1 4.07Å; I46-L49 HydrophobicContact CG2-CD2 4.38Å; I46-L49 HydrophobicContact CG2-CG 3.72Å; I46-L49 WeakPolarHBondContact O-CB 3.02Å; I46-L49 PolarHBondContact O-N 2.87Å; K47-L49 PolarHBondContact O-N 2.86Å; L49-R51 PolarHBondContact O-N 2.95Å; L49-V52 HydrophobicContact CB-CG2 3.79Å; L49-V52 HydrophobicContact CD1-CG2 4.14Å; L49-C72 WeakPolarHBondContact O-CB 3.48Å; L49-L76 HydrophobicContact CD2-CD2 3.4Å; L49-L76 VanDerWaalsContact CD2-CD2 3.4Å; L49-I81 HydrophobicContact CD2-CD1 3.99Å; L49-I81 HydrophobicContact CD2-CG1 4.13Å; L49-I81 HydrophobicContact CD2-CG2 4.49Å |
| 50 | G | 88.1 | Confident | 90.9 | Very high | 26 Ų | 26 | 63.2 Ų | 63.2 | 27% | 0.268 | 29% | 0.291 | S | S | . | . | trans | 61.4 | -132.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K47 | K47-G50 PolarHBondContact O-N 3.49Š| ||
| 51 | R | 91.3 | Very high | 90.1 | Very high | 147 Ų | 147 | 69 Ų | 69 | 56% | 0.555 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -81.2 | 120.5 | 177.7 | -172.2 | 178.5 | -171.7 | 172.6 | 5.6 | 109.6 | L49 R73 | L49-R51 PolarHBondContact O-N 2.95Å; R51-R73 HydrophobicContact CB-CB 4.07Å; R51-R73 PolarHBondContact O-N 2.97Å |
| 52 | V | 94.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 136.7 | 177.9 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | L43 Q44 L49 C70 E71 | L43-V52 HydrophobicContact CB-CB 4.36Å; L43-V52 HydrophobicContact CB-CG1 4.06Å; L43-V52 HydrophobicContact CB-CG2 4.14Å; L43-V52 HydrophobicContact CD1-CG1 3.99Å; Q44-V52 HydrophobicContact CG-CB 4.03Å; Q44-V52 HydrophobicContact CG-CG2 3.97Å; Q44-V52 PolarHBondContact NE2-O 3.16Å; L49-V52 HydrophobicContact CB-CG2 3.79Å; L49-V52 HydrophobicContact CD1-CG2 4.14Å; V52-C70 HydrophobicContact CG1-CB 3.72Å; V52-E71 CarbonylContact C-O 3.05Å; V52-E71 WeakPolarHBondContact CA-O 3.37Å |
| 53 | R | 94.9 | Very high | 88.5 | Confident | 127 Ų | 127 | 71 Ų | 71 | 48% | 0.479 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 134.5 | 172.5 | -72.1 | -172.2 | 173.5 | -157.5 | -3.5 | 111.4 | E40 C70 E71 | E40-R53 VanDerWaalsContact OE1-CA 3.31Å; E40-R53 WeakPolarHBondContact OE1-CA 3.15Å; R53-C70 CarbonylContact O-C 3.59Å; R53-C70 VanDerWaalsContact O-CA 3.29Å; R53-C70 WeakPolarHBondContact O-CA 3.41Å; R53-E71 PolarHBondContact N-O 3.29Å; R53-E71 PolarHBondContact O-N 2.91Å |
| 54 | V | 95.4 | Very high | 88.1 | Confident | 28 Ų | 28 | 76 Ų | 76 | 17% | 0.17 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 128 | 172.9 | 174.8 | 0 | 0 | 0 | 0 | 109.7 | V36 I39 E40 R57 V68 | V36-V54 HydrophobicContact CG1-CB 3.83Å; V36-V54 HydrophobicContact CG1-CG2 3.92Å; I39-V54 HydrophobicContact CB-CG2 4.23Å; I39-V54 HydrophobicContact CG2-CG2 3.92Å; E40-V54 HydrophobicContact CG-CG2 3.89Å; E40-V54 PolarHBondContact OE1-N 3.18Å; V54-R57 HydrophobicContact CG1-CG 4.02Å; V54-V68 HydrophobicContact CB-CG1 4.3Å; V54-V68 HydrophobicContact CG1-CG1 3.55Å; V54-V68 HydrophobicContact CG2-CG1 3.85Å |
| 55 | R | 93.4 | Very high | 88 | Confident | 100 Ų | 100 | 75.9 Ų | 75.9 | 38% | 0.377 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | -30 | -178.1 | -61.6 | -66.8 | -101.2 | 92.9 | 6.7 | 113.3 | E18 I20 L69 E71 | E18-R55 IonicContact OE2-NH1 2.68Å; I20-R55 HydrophobicContact CD1-CB 3.54Å; I20-R55 HydrophobicContact CD1-CG 3.64Å; R55-L69 PolarHBondContact N-O 2.9Å; R55-E71 HydrophobicContact CG-CB 3.66Å; R55-E71 IonicContact CZ-OE2 2.85Å; R55-E71 IonicContact NE-OE2 2.66Å; R55-E71 PolarHBondContact NE-OE2 3.22Å; R55-E71 IonicContact NH2-OE2 2.83Å |
| 56 | G | 90.9 | Very high | 88.1 | Confident | 9 Ų | 9 | 74.1 Ų | 74.1 | 9% | 0.093 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 150.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V68 L69 | G56-V68 WeakPolarHBondContact O-CA 3.5Å; G56-L69 PolarHBondContact N-O 3.46Å; G56-L69 PolarHBondContact O-N 3.35Å |
| 57 | R | 93.4 | Very high | 88.3 | Confident | 148 Ų | 148 | 73.6 Ų | 73.6 | 56% | 0.558 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 134.9 | 173.5 | -66.2 | -174.9 | -65.8 | 177.4 | 0.2 | 109.6 | V54 I66 L67 V68 | V54-R57 HydrophobicContact CG1-CG 4.02Å; R57-I66 HydrophobicContact CB-CG2 3.96Å; R57-I66 HydrophobicContact CG-CG2 4.3Å; R57-L67 CarbonylContact C-O 3.53Å; R57-L67 WeakPolarHBondContact CA-O 3.23Å; R57-V68 HydrophobicContact CG-CG1 4.25Å; R57-V68 HydrophobicContact CG-CG2 4.37Å |
| 58 | M | 90.9 | Very high | 88.6 | Confident | 98 Ų | 98 | 65.4 Ų | 65.4 | 48% | 0.483 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 129.8 | -178.4 | -176.1 | 179.6 | -62 | 0 | 0 | 108.7 | W14 I66 L67 | W14-M58 HydrophobicContact CH2-CB 3.42Å; W14-M58 VanDerWaalsContact CH2-CB 3.42Å; W14-M58 HydrophobicContact CH2-CE 4.35Å; W14-M58 HydrophobicContact CZ2-CB 4.09Å; W14-M58 HydrophobicContact CZ2-CE 4.31Å; W14-M58 HydrophobicContact CZ3-CB 3.93Å; W14-M58 HydrophobicContact CZ3-CE 4.43Å; M58-I66 CarbonylContact O-C 3.52Å; M58-I66 WeakPolarHBondContact O-CA 3.33Å; M58-L67 HydrophobicContact CB-CB 4.36Å; M58-L67 PolarHBondContact N-O 3.23Å; M58-L67 PolarHBondContact O-N 3.35Å |
| 59 | F | 89 | Confident | 89.1 | Confident | 94 Ų | 94 | 63.1 Ų | 63.1 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 129.9 | 175.7 | -176.7 | -112.2 | 0 | 0 | 0 | 109.8 | E61 D64 I66 | F59-E61 HydrophobicContact CD1-CG 3.82Å; F59-E61 HydrophobicContact CE1-CB 4.35Å; F59-E61 HydrophobicContact CE1-CG 3.78Å; F59-D64 WeakPolarHBondContact CZ-OD1 3.37Å; F59-I66 HydrophobicContact CD2-CG1 4.47Å |
| 60 | D | 84.4 | Confident | 89.4 | Confident | 16 Ų | 16 | 63.1 Ų | 63.1 | 9% | 0.086 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 95.9 | 175.7 | -170.5 | -9.1 | 0 | 0 | 0 | 109 | K29 S62 T63 D64 Q65 L67 | K29-D60 WeakPolarHBondContact CE-OD2 3.18Å; K29-D60 IonicContact NZ-OD2 3.52Å; K29-D60 PolarHBondContact NZ-OD2 3.04Å; D60-S62 PolarHBondContact O-N 3.2Å; D60-S62 VanDerWaalsContact O-N 3.1Å; D60-S62 WeakPolarHBondContact OD1-CB 3.45Å; D60-S62 PolarHBondContact OD1-N 3.26Å; D60-S62 PolarHBondContact OD1-OG 2.98Å; D60-T63 PolarHBondContact O-N 3.38Å; D60-T63 VanDerWaalsContact O-N 3.14Å; D60-T63 PolarHBondContact OD2-OG1 3.23Å; D60-D64 PolarHBondContact O-N 3.38Å; D60-Q65 WeakPolarHBondContact CB-O 3.26Å; D60-Q65 PolarHBondContact N-O 3.19Å; D60-L67 HydrophobicContact CB-CD1 4.01Å; D60-L67 HydrophobicContact CB-CG 4.43Å |
| 61 | E | 78.2 | Confident | 89.7 | Confident | 173 Ų | 173 | 65.1 Ų | 65.1 | 81% | 0.808 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -25.4 | -179.9 | -66.3 | -177.4 | 173.1 | 0 | 0 | 113 | F59 | F59-E61 HydrophobicContact CD1-CG 3.82Å; F59-E61 HydrophobicContact CE1-CB 4.35Å; F59-E61 HydrophobicContact CE1-CG 3.78Å |
| 62 | S | 76 | Confident | 89.8 | Confident | 100 Ų | 100 | 58.2 Ų | 58.2 | 70% | 0.699 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -25.4 | -177.8 | 72 | 0 | 0 | 0 | 0 | 113.6 | D60 | D60-S62 PolarHBondContact O-N 3.2Å; D60-S62 VanDerWaalsContact O-N 3.1Å; D60-S62 WeakPolarHBondContact OD1-CB 3.45Å; D60-S62 PolarHBondContact OD1-N 3.26Å; D60-S62 PolarHBondContact OD1-OG 2.98Å |
| 63 | T | 75.6 | Confident | 89.6 | Confident | 57 Ų | 57 | 67 Ų | 67 | 35% | 0.35 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | 3.3 | -176.3 | 57.9 | 0 | 0 | 0 | 0 | 113.9 | K29 D60 Q65 | K29-T63 PolarHBondContact NZ-OG1 3.14Å; K29-T63 VanDerWaalsContact NZ-OG1 3.11Å; D60-T63 PolarHBondContact O-N 3.38Å; D60-T63 VanDerWaalsContact O-N 3.14Å; D60-T63 PolarHBondContact OD2-OG1 3.23Å; T63-Q65 WeakPolarHBondContact O-CG 3.31Å; T63-Q65 PolarHBondContact O-N 3.18Å |
| 64 | D | 82.4 | Confident | 89.2 | Confident | 105 Ų | 105 | 65.3 Ų | 65.3 | 56% | 0.561 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 40 | -175.8 | -161 | 33 | 0 | 0 | 0 | 112.7 | F59 D60 | F59-D64 WeakPolarHBondContact CZ-OD1 3.37Å; D60-D64 PolarHBondContact O-N 3.38Å |
| 65 | Q | 89.5 | Confident | 88.7 | Confident | 70 Ų | 70 | 69.1 Ų | 69.1 | 33% | 0.327 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 161.4 | -174.8 | -77.3 | 174.3 | -4.8 | 0 | 0 | 110.3 | D60 T63 | D60-Q65 WeakPolarHBondContact CB-O 3.26Å; D60-Q65 PolarHBondContact N-O 3.19Å; T63-Q65 WeakPolarHBondContact O-CG 3.31Å; T63-Q65 PolarHBondContact O-N 3.18Å |
| 66 | I | 91.7 | Very high | 88.2 | Confident | 22 Ų | 22 | 64.6 Ų | 64.6 | 11% | 0.113 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 123.2 | 173.8 | -61.7 | 175.9 | 0 | 0 | 0 | 108.7 | K29 V30 Q32 R57 M58 F59 V68 | K29-I66 WeakPolarHBondContact CA-O 3.48Å; V30-I66 HydrophobicContact CG2-CB 4Å; V30-I66 HydrophobicContact CG2-CG2 4.46Å; V30-I66 PolarHBondContact N-O 3.3Å; V30-I66 PolarHBondContact O-N 2.96Å; Q32-I66 HydrophobicContact CB-CD1 4.47Å; Q32-I66 HydrophobicContact CG-CD1 4.24Å; Q32-I66 VanDerWaalsContact O-CD1 3.28Å; Q32-I66 WeakPolarHBondContact O-CD1 3.33Å; R57-I66 HydrophobicContact CB-CG2 3.96Å; R57-I66 HydrophobicContact CG-CG2 4.3Å; M58-I66 CarbonylContact O-C 3.52Å; M58-I66 WeakPolarHBondContact O-CA 3.33Å; F59-I66 HydrophobicContact CD2-CG1 4.47Å; I66-V68 HydrophobicContact CG2-CG2 3.82Å |
| 67 | L | 93.4 | Very high | 87.5 | Confident | 5 Ų | 5 | 66.8 Ų | 66.8 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 128.9 | 163.9 | -80.6 | 157.6 | 0 | 0 | 0 | 109.1 | M7 W14 L27 T28 K29 R57 M58 D60 | M7-L67 HydrophobicContact CE-CD2 4.05Å; M7-L67 HydrophobicContact SD-CD2 4.19Å; W14-L67 HydrophobicContact CZ3-CB 4.16Å; L27-L67 HydrophobicContact CD1-CD2 4.42Å; L27-L67 HydrophobicContact CD2-CD2 3.98Å; L27-L67 HydrophobicContact CG-CD2 4.08Å; T28-L67 WeakPolarHBondContact O-CA 3.35Å; K29-L67 HydrophobicContact CD-CD2 4.32Å; K29-L67 HydrophobicContact CG-CD2 3.67Å; K29-L67 HydrophobicContact CG-CG 4.28Å; R57-L67 CarbonylContact C-O 3.53Å; R57-L67 WeakPolarHBondContact CA-O 3.23Å; M58-L67 HydrophobicContact CB-CB 4.36Å; M58-L67 PolarHBondContact N-O 3.23Å; M58-L67 PolarHBondContact O-N 3.35Å; D60-L67 HydrophobicContact CB-CD1 4.01Å; D60-L67 HydrophobicContact CB-CG 4.43Å |
| 68 | V | 95.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 122.6 | -175.4 | -170.7 | 0 | 0 | 0 | 0 | 109.6 | L27 T28 V30 I39 V54 G56 R57 I66 | L27-V68 WeakPolarHBondContact CA-O 3.41Å; T28-V68 HydrophobicContact CG2-CB 3.97Å; T28-V68 PolarHBondContact N-O 2.85Å; T28-V68 PolarHBondContact O-N 3.32Å; V30-V68 HydrophobicContact CG1-CG2 4.28Å; V30-V68 HydrophobicContact CG2-CG2 3.57Å; I39-V68 HydrophobicContact CD1-CG2 4.11Å; I39-V68 HydrophobicContact CG2-CG1 4.29Å; V54-V68 HydrophobicContact CB-CG1 4.3Å; V54-V68 HydrophobicContact CG1-CG1 3.55Å; V54-V68 HydrophobicContact CG2-CG1 3.85Å; G56-V68 WeakPolarHBondContact O-CA 3.5Å; R57-V68 HydrophobicContact CG-CG1 4.25Å; R57-V68 HydrophobicContact CG-CG2 4.37Å; I66-V68 HydrophobicContact CG2-CG2 3.82Å |
| 69 | L | 95.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125 | 171.4 | 179.7 | 66.8 | 0 | 0 | 0 | 109.3 | L11 W14 E18 I20 A25 L27 R55 G56 | L11-L69 HydrophobicContact CD1-CD1 3.44Å; L11-L69 VanDerWaalsContact CD1-CD1 3.44Å; W14-L69 HydrophobicContact CB-CD2 4.2Å; W14-L69 HydrophobicContact CD2-CB 3.99Å; W14-L69 HydrophobicContact CD2-CD2 4.02Å; W14-L69 HydrophobicContact CE3-CB 4.05Å; W14-L69 HydrophobicContact CG-CD2 3.72Å; W14-L69 HydrophobicContact CH2-CB 4.32Å; W14-L69 HydrophobicContact CZ2-CB 4.29Å; W14-L69 HydrophobicContact CZ3-CB 4.21Å; E18-L69 HydrophobicContact CB-CD2 4.31Å; E18-L69 HydrophobicContact CG-CD2 4.06Å; I20-L69 HydrophobicContact CD1-CD2 3.78Å; I20-L69 HydrophobicContact CD1-CG 4.32Å; A25-L69 HydrophobicContact CB-CD1 4.42Å; L27-L69 HydrophobicContact CD1-CB 4.44Å; R55-L69 PolarHBondContact N-O 2.9Å; G56-L69 PolarHBondContact N-O 3.46Å; G56-L69 PolarHBondContact O-N 3.35Å |
| 70 | C | 94.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 140.8 | -179.2 | -65.8 | 0 | 0 | 0 | 0 | 111.1 | A25 L26 L43 V52 R53 | A25-C70 WeakPolarHBondContact CA-O 3.32Å; L26-C70 HydrophobicContact CD1-CB 3.73Å; L26-C70 HydrophobicContact CG-CB 3.82Å; L26-C70 PolarHBondContact N-O 3.48Å; L26-C70 PolarHBondContact O-N 3.24Å; L43-C70 HydrophobicContact CD1-CB 4.3Å; L43-C70 VanDerWaalsContact CD1-SG 3.54Å; V52-C70 HydrophobicContact CG1-CB 3.72Å; R53-C70 CarbonylContact O-C 3.59Å; R53-C70 VanDerWaalsContact O-CA 3.29Å; R53-C70 WeakPolarHBondContact O-CA 3.41Å |
| 71 | E | 94.1 | Very high | 84.4 | Confident | 68 Ų | 68 | 64.5 Ų | 64.5 | 32% | 0.318 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127.5 | 172.3 | 179.7 | 179.4 | -167.6 | 0 | 0 | 109.6 | I20 V52 R53 R55 | I20-E71 HydrophobicContact CG2-CB 4.26Å; I20-E71 HydrophobicContact CG2-CG 4.13Å; V52-E71 CarbonylContact C-O 3.05Å; V52-E71 WeakPolarHBondContact CA-O 3.37Å; R53-E71 PolarHBondContact N-O 3.29Å; R53-E71 PolarHBondContact O-N 2.91Å; R55-E71 HydrophobicContact CG-CB 3.66Å; R55-E71 IonicContact CZ-OE2 2.85Å; R55-E71 IonicContact NE-OE2 2.66Å; R55-E71 PolarHBondContact NE-OE2 3.22Å; R55-E71 IonicContact NH2-OE2 2.83Å |
| 72 | C | 92.6 | Very high | 84.8 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.02 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 142.6 | -178.6 | -63 | 0 | 0 | 0 | 0 | 110.3 | H24 L26 L49 E74 L76 | H24-C72 PolarHBondContact ND1-O 2.81Å; H24-C72 WeakPolarHBondContact O-CB 3.25Å; H24-C72 PolarHBondContact O-N 2.76Å; L26-C72 VanDerWaalsContact CD2-SG 3.52Å; L49-C72 WeakPolarHBondContact O-CB 3.48Å; C72-E74 VanDerWaalsContact C-N 3.35Å; C72-L76 HydrophobicContact CB-CD1 4.49Å; C72-L76 HydrophobicContact CB-CD2 3.89Å; C72-L76 HydrophobicContact CB-CG 4.43Å |
| 73 | R | 89.7 | Confident | 85.2 | Confident | 183 Ų | 183 | 59.9 Ų | 59.9 | 69% | 0.691 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -66.3 | -39.8 | 175.8 | -177.2 | 180 | -179.7 | 177.5 | -0.6 | 112 | H24 R51 | H24-R73 PolarHBondContact CE1-O 3.36Å; H24-R73 PolarHBondContact ND1-O 2.67Å; R51-R73 HydrophobicContact CB-CB 4.07Å; R51-R73 PolarHBondContact O-N 2.97Å |
| 74 | E | 86.3 | Confident | 85.9 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -88.5 | 154.4 | -177.9 | -58 | -55.1 | 150.4 | 0 | 0 | 111.2 | H24 C48 C72 | H24-E74 PolarHBondContact ND1-O 3.08Å; H24-E74 VanDerWaalsContact ND1-O 3.1Å; C48-E74 WeakPolarHBondContact O-CB 3.45Å; C72-E74 VanDerWaalsContact C-N 3.35Å |
| 75 | K | 85.4 | Confident | 86.2 | Confident | 107 Ų | 107 | 58.7 Ų | 58.7 | 47% | 0.465 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 128.4 | 175.8 | -169 | -175 | 179.7 | -158.5 | 0 | 109.2 | S23 H24 E101 | S23-K75 CarbonylContact O-C 3.51Å; S23-K75 WeakPolarHBondContact O-CA 3.36Å; H24-K75 PolarHBondContact CE1-N 3.06Å; K75-E101 WeakPolarHBondContact CE-OE1 3.18Å; K75-E101 IonicContact NZ-OE1 3.61Å; K75-E101 PolarHBondContact NZ-OE1 3.2Å; K75-E101 IonicContact NZ-OE2 2.72Å |
| 76 | L | 83.6 | Confident | 86.1 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -86.1 | 126 | -172.3 | -55.3 | -172 | 0 | 0 | 0 | 111.2 | S23 A25 L26 L49 C72 I81 I98 | S23-L76 PolarHBondContact O-N 3.41Å; A25-L76 WeakPolarHBondContact O-CD1 3.28Å; L26-L76 HydrophobicContact CB-CD1 4.12Å; L49-L76 HydrophobicContact CD2-CD2 3.4Å; L49-L76 VanDerWaalsContact CD2-CD2 3.4Å; C72-L76 HydrophobicContact CB-CD1 4.49Å; C72-L76 HydrophobicContact CB-CD2 3.89Å; C72-L76 HydrophobicContact CB-CG 4.43Å; L76-I81 HydrophobicContact CB-CD1 3.57Å; L76-I81 HydrophobicContact CD1-CD1 4.4Å; L76-I81 HydrophobicContact CD2-CD1 3.78Å; L76-I81 HydrophobicContact CG-CD1 4.1Å; L76-I98 HydrophobicContact CD1-CG2 3.85Å |
| 77 | T | 76.6 | Confident | 85.8 | Confident | 55 Ų | 55 | 59.7 Ų | 59.7 | 34% | 0.337 | 31% | 0.309 | S | S | . | . | trans | -118.4 | 141.7 | 173.4 | 55.4 | 0 | 0 | 0 | 0 | 109.8 | A79 I81 | T77-A79 PolarHBondContact O-N 3.08Å; T77-I81 WeakPolarHBondContact O-CD1 3.29Å | ||
| 78 | N | 71.8 | Confident | 84.8 | Confident | 90 Ų | 90 | 64 Ų | 64 | 48% | 0.481 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -20.3 | -175.5 | -159.8 | -16.8 | 0 | 0 | 0 | 113.3 | D80 I98 A100 | N78-D80 PolarHBondContact O-N 3.36Å; N78-I98 HydrophobicContact CB-CD1 4.36Å; N78-A100 WeakPolarHBondContact ND2-CB 3.4Å |
| 79 | A | 67.8 | Low | 83.8 | Confident | 91 Ų | 91 | 68.5 Ų | 68.5 | 75% | 0.752 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -28.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T77 | T77-A79 PolarHBondContact O-N 3.08Š|
| 80 | D | 69.3 | Low | 82.8 | Confident | 113 Ų | 113 | 76.7 Ų | 76.7 | 60% | 0.604 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -118.8 | 2 | -165.9 | -61.7 | -46.5 | 0 | 0 | 0 | 114.2 | C48 N78 | C48-D80 HydrophobicContact CB-CB 4.45Å; C48-D80 PolarHBondContact SG-O 3.49Å; N78-D80 PolarHBondContact O-N 3.36Å |
| 81 | I | 83.5 | Confident | 81.7 | Confident | 14 Ų | 14 | 80.2 Ų | 80.2 | 7% | 0.072 | 42% | 0.418 | C | S | . | . | trans | -106.5 | 122.8 | -175.4 | -62.5 | 169.5 | 0 | 0 | 0 | 109.2 | L49 L76 T77 V96 I98 | L49-I81 HydrophobicContact CD2-CD1 3.99Å; L49-I81 HydrophobicContact CD2-CG1 4.13Å; L49-I81 HydrophobicContact CD2-CG2 4.49Å; L76-I81 HydrophobicContact CB-CD1 3.57Å; L76-I81 HydrophobicContact CD1-CD1 4.4Å; L76-I81 HydrophobicContact CD2-CD1 3.78Å; L76-I81 HydrophobicContact CG-CD1 4.1Å; T77-I81 WeakPolarHBondContact O-CD1 3.29Å; I81-V96 HydrophobicContact CG2-CG1 4.01Å; I81-I98 HydrophobicContact CB-CD1 4.06Å; I81-I98 HydrophobicContact CD1-CD1 3.7Å; I81-I98 HydrophobicContact CD1-CG2 4.21Å; I81-I98 HydrophobicContact CG1-CD1 4.42Å; I81-I98 HydrophobicContact CG2-CD1 4.31Å; I81-I98 HydrophobicContact CG2-CG2 4.36Å | ||
| 82 | P | 85.9 | Confident | 81.1 | Confident | 55 Ų | 55 | 79.4 Ų | 79.4 | 36% | 0.357 | 42% | 0.418 | S | S | . | . | trans | -69.6 | 145.1 | 177 | 30.3 | -34.5 | 0 | 0 | 0 | 110.6 | I46 E84 | I46-P82 HydrophobicContact CD1-CG 3.82Å; I46-P82 HydrophobicContact CG1-CG 4.04Å; I46-P82 HydrophobicContact CG2-CG 4.27Å; P82-E84 PolarHBondContact O-N 2.89Å | ||
| 83 | N | 85.1 | Confident | 80.9 | Confident | 122 Ų | 122 | 82.7 Ų | 82.7 | 65% | 0.652 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -70.2 | -16.2 | 177.6 | -65.7 | -38.9 | 0 | 0 | 0 | 113.1 | P95 V96 | N83-P95 WeakPolarHBondContact O-CA 3.42Å; N83-V96 PolarHBondContact O-N 3.42Å |
| 84 | E | 89.8 | Confident | 81 | Confident | 128 Ų | 128 | 74.2 Ų | 74.2 | 60% | 0.598 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144 | 145.6 | -177.6 | -69.4 | -179.1 | 173.2 | 0 | 0 | 110.1 | P82 V93 W94 | P82-E84 PolarHBondContact O-N 2.89Å; E84-V93 HydrophobicContact CB-CG1 3.64Å; E84-V93 HydrophobicContact CG-CG1 3.99Å; E84-V93 WeakPolarHBondContact OE2-CG1 3.43Å; E84-W94 CarbonylContact C-O 3.3Å; E84-W94 WeakPolarHBondContact CA-O 3.31Å |
| 85 | V | 89.2 | Confident | 81.2 | Confident | 8 Ų | 8 | 71.3 Ų | 71.3 | 5% | 0.048 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 134.1 | 175.3 | 66.3 | 0 | 0 | 0 | 0 | 110.4 | T42 L43 I46 V93 W94 V96 | T42-V85 HydrophobicContact CG2-CG1 4.38Å; T42-V85 HydrophobicContact CG2-CG2 4.09Å; L43-V85 HydrophobicContact CD2-CG1 4.04Å; I46-V85 HydrophobicContact CD1-CB 4.08Å; I46-V85 HydrophobicContact CD1-CG2 4.06Å; I46-V85 HydrophobicContact CG1-CG2 4.14Å; V85-V93 WeakPolarHBondContact O-CA 3.29Å; V85-W94 HydrophobicContact CG1-CB 3.8Å; V85-W94 HydrophobicContact CG1-CE3 4.22Å; V85-W94 HydrophobicContact CG1-CG 4.49Å; V85-W94 PolarHBondContact N-O 3.32Å; V85-W94 PolarHBondContact O-N 3.24Å; V85-V96 HydrophobicContact CB-CG2 4.34Å; V85-V96 HydrophobicContact CG1-CG2 4.1Å |
| 86 | L | 87 | Confident | 81.4 | Confident | 110 Ų | 110 | 66.7 Ų | 66.7 | 58% | 0.576 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 137.6 | 173.7 | -77.9 | 157 | 0 | 0 | 0 | 109.8 | V93 | L86-V93 HydrophobicContact CD2-CG2 3.57Å; L86-V93 HydrophobicContact CG-CG2 4.37Å |
| 87 | T | 84.4 | Confident | 81.7 | Confident | 4 Ų | 4 | 67.8 Ų | 67.8 | 3% | 0.025 | 38% | 0.381 | C | S | . | . | trans | -66.9 | 155.9 | 173.9 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | T42 D89 E90 S91 T92 W94 | T42-T87 HydrophobicContact CG2-CG2 4.31Å; T87-D89 WeakPolarHBondContact CB-OD1 3.34Å; T87-D89 PolarHBondContact O-N 2.84Å; T87-D89 VanDerWaalsContact O-N 3.14Å; T87-D89 PolarHBondContact OG1-OD1 2.92Å; T87-E90 WeakPolarHBondContact O-CA 3.26Å; T87-E90 PolarHBondContact O-N 3.16Å; T87-S91 PolarHBondContact OG1-N 2.74Å; T87-T92 WeakPolarHBondContact CG2-OG1 3.4Å; T87-T92 PolarHBondContact N-O 3.3Å; T87-T92 PolarHBondContact OG1-N 3.01Å; T87-T92 VanDerWaalsContact OG1-N 3.09Å; T87-T92 PolarHBondContact OG1-O 2.93Å; T87-T92 PolarHBondContact OG1-OG1 3.26Å; T87-W94 HydrophobicContact CG2-CD2 3.99Å; T87-W94 HydrophobicContact CG2-CG 4.48Å; T87-W94 HydrophobicContact CG2-CH2 4.12Å; T87-W94 HydrophobicContact CG2-CZ2 3.34Å; T87-W94 VanDerWaalsContact CG2-NE1 3.29Å | ||
| 88 | L | 74.1 | Confident | 82.4 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 50% | 0.503 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -22.5 | -178.7 | -77.1 | 146.8 | 0 | 0 | 0 | 114.1 | E41 T45 | E41-L88 HydrophobicContact CB-CD1 4.08Å; E41-L88 HydrophobicContact CG-CD1 3.7Å; T45-L88 HydrophobicContact CG2-CD2 4.26Å |
| 89 | D | 74.4 | Confident | 83 | Confident | 94 Ų | 94 | 62.9 Ų | 62.9 | 50% | 0.503 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 6.2 | 175.1 | 63.8 | -25.6 | 0 | 0 | 0 | 113.1 | T87 S91 | T87-D89 WeakPolarHBondContact CB-OD1 3.34Å; T87-D89 PolarHBondContact O-N 2.84Å; T87-D89 VanDerWaalsContact O-N 3.14Å; T87-D89 PolarHBondContact OG1-OD1 2.92Å; D89-S91 PolarHBondContact O-N 3.18Å; D89-S91 PolarHBondContact OD1-OG 3.48Å; D89-S91 VanDerWaalsContact OD1-OG 3.14Å; D89-S91 WeakPolarHBondContact OD2-CB 3.42Å; D89-S91 PolarHBondContact OD2-OG 2.84Å |
| 90 | E | 73.1 | Confident | 82.9 | Confident | 171 Ų | 171 | 61.1 Ų | 61.1 | 80% | 0.799 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 54.7 | 19.9 | -179.7 | -59.2 | -175.5 | 171.8 | 0 | 0 | 114.5 | T87 | T87-E90 WeakPolarHBondContact O-CA 3.26Å; T87-E90 PolarHBondContact O-N 3.16Å |
| 91 | S | 71.1 | Confident | 82.4 | Confident | 75 Ų | 75 | 60.5 Ų | 60.5 | 52% | 0.524 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -94.7 | -28.7 | -170.9 | 73.2 | 0 | 0 | 0 | 0 | 113.6 | T87 D89 | T87-S91 PolarHBondContact OG1-N 2.74Å; D89-S91 PolarHBondContact O-N 3.18Å; D89-S91 PolarHBondContact OD1-OG 3.48Å; D89-S91 VanDerWaalsContact OD1-OG 3.14Å; D89-S91 WeakPolarHBondContact OD2-CB 3.42Å; D89-S91 PolarHBondContact OD2-OG 2.84Å |
| 92 | T | 81.7 | Confident | 80.8 | Confident | 51 Ų | 51 | 64.7 Ų | 64.7 | 31% | 0.313 | 36% | 0.362 | S | S | . | . | trans | -138.6 | 151.1 | -176.2 | 61.6 | 0 | 0 | 0 | 0 | 112.3 | T87 W94 | T87-T92 WeakPolarHBondContact CG2-OG1 3.4Å; T87-T92 PolarHBondContact N-O 3.3Å; T87-T92 PolarHBondContact OG1-N 3.01Å; T87-T92 VanDerWaalsContact OG1-N 3.09Å; T87-T92 PolarHBondContact OG1-O 2.93Å; T87-T92 PolarHBondContact OG1-OG1 3.26Å; T92-W94 PolarHBondContact OG1-NE1 3.39Å; T92-W94 VanDerWaalsContact OG1-NE1 3.16Å | ||
| 93 | V | 88.4 | Confident | 78.8 | Confident | 72 Ų | 72 | 67 Ų | 67 | 44% | 0.436 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.7 | 178 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | E84 V85 L86 | E84-V93 HydrophobicContact CB-CG1 3.64Å; E84-V93 HydrophobicContact CG-CG1 3.99Å; E84-V93 WeakPolarHBondContact OE2-CG1 3.43Å; V85-V93 WeakPolarHBondContact O-CA 3.29Å; L86-V93 HydrophobicContact CD2-CG2 3.57Å; L86-V93 HydrophobicContact CG-CG2 4.37Å |
| 94 | W | 92 | Very high | 77 | Confident | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.015 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 125.8 | 178.7 | -54.5 | -13.3 | 0 | 0 | 0 | 110.2 | V30 T34 I39 T42 E84 V85 T87 T92 | V30-W94 HydrophobicContact CB-CD2 4.35Å; V30-W94 HydrophobicContact CB-CZ2 4.35Å; V30-W94 HydrophobicContact CG1-CD2 3.57Å; V30-W94 HydrophobicContact CG1-CE3 3.61Å; V30-W94 HydrophobicContact CG1-CG 4.09Å; V30-W94 HydrophobicContact CG1-CH2 4.19Å; V30-W94 HydrophobicContact CG1-CZ2 4.15Å; V30-W94 HydrophobicContact CG1-CZ3 3.93Å; T34-W94 HydrophobicContact CG2-CH2 3.67Å; T34-W94 HydrophobicContact CG2-CZ2 3.62Å; I39-W94 HydrophobicContact CB-CH2 4.41Å; I39-W94 HydrophobicContact CB-CZ3 4.24Å; I39-W94 HydrophobicContact CG1-CH2 4Å; I39-W94 HydrophobicContact CG1-CZ3 4.19Å; I39-W94 HydrophobicContact CG2-CZ3 4.16Å; T42-W94 HydrophobicContact CG2-CE3 3.99Å; T42-W94 HydrophobicContact CG2-CH2 4.14Å; T42-W94 HydrophobicContact CG2-CZ3 3.7Å; E84-W94 CarbonylContact C-O 3.3Å; E84-W94 WeakPolarHBondContact CA-O 3.31Å; V85-W94 HydrophobicContact CG1-CB 3.8Å; V85-W94 HydrophobicContact CG1-CE3 4.22Å; V85-W94 HydrophobicContact CG1-CG 4.49Å; V85-W94 PolarHBondContact N-O 3.32Å; V85-W94 PolarHBondContact O-N 3.24Å; T87-W94 HydrophobicContact CG2-CD2 3.99Å; T87-W94 HydrophobicContact CG2-CG 4.48Å; T87-W94 HydrophobicContact CG2-CH2 4.12Å; T87-W94 HydrophobicContact CG2-CZ2 3.34Å; T87-W94 VanDerWaalsContact CG2-NE1 3.29Å; T92-W94 PolarHBondContact OG1-NE1 3.39Å; T92-W94 VanDerWaalsContact OG1-NE1 3.16Å |
| 95 | P | 90.9 | Very high | 75.1 | Confident | 33 Ų | 33 | 62.8 Ų | 62.8 | 21% | 0.214 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 145.4 | 175.2 | 30 | -34.7 | 0 | 0 | 0 | 110.7 | T28 K29 N83 F97 | T28-P95 VanDerWaalsContact CA-O 3.28Å; T28-P95 WeakPolarHBondContact CA-O 3.28Å; T28-P95 VanDerWaalsContact CB-O 3.3Å; T28-P95 WeakPolarHBondContact CB-O 3.46Å; T28-P95 PolarHBondContact OG1-O 2.89Å; K29-P95 HydrophobicContact CB-CG 3.91Å; K29-P95 HydrophobicContact CD-CG 4.49Å; K29-P95 HydrophobicContact CG-CG 4.29Å; N83-P95 WeakPolarHBondContact O-CA 3.42Å; P95-F97 HydrophobicContact CB-CE2 3.85Å; P95-F97 HydrophobicContact CB-CZ 3.78Å; P95-F97 HydrophobicContact CG-CE2 3.89Å; P95-F97 HydrophobicContact CG-CZ 4.07Å |
| 96 | V | 90.6 | Very high | 73.2 | Confident | 9 Ų | 9 | 68.2 Ų | 68.2 | 6% | 0.055 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 125.3 | 178.9 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | L26 L43 I46 I81 N83 V85 I98 | L26-V96 HydrophobicContact CB-CG1 4.48Å; L43-V96 HydrophobicContact CD2-CG2 4.41Å; I46-V96 HydrophobicContact CD1-CG2 4.42Å; I81-V96 HydrophobicContact CG2-CG1 4.01Å; N83-V96 PolarHBondContact O-N 3.42Å; V85-V96 HydrophobicContact CB-CG2 4.34Å; V85-V96 HydrophobicContact CG1-CG2 4.1Å; V96-I98 HydrophobicContact CG1-CG2 4.4Å |
| 97 | F | 89.9 | Confident | 71.5 | Confident | 29 Ų | 29 | 69.9 Ų | 69.9 | 13% | 0.127 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 133.3 | 177.5 | -49 | -85.6 | 0 | 0 | 0 | 109.9 | T4 M7 L26 L27 K29 P95 | T4-F97 HydrophobicContact CG2-CD1 4.19Å; T4-F97 HydrophobicContact CG2-CE1 4.42Å; M7-F97 HydrophobicContact CB-CD1 3.76Å; M7-F97 HydrophobicContact CB-CD2 4.2Å; M7-F97 HydrophobicContact CB-CE1 3.94Å; M7-F97 HydrophobicContact CB-CE2 4.37Å; M7-F97 HydrophobicContact CB-CG 3.91Å; M7-F97 HydrophobicContact CB-CZ 4.24Å; M7-F97 HydrophobicContact CG-CD1 4.32Å; M7-F97 HydrophobicContact CG-CD2 4.48Å; M7-F97 HydrophobicContact CG-CE1 3.99Å; M7-F97 HydrophobicContact CG-CE2 4.17Å; M7-F97 HydrophobicContact CG-CZ 3.92Å; L26-F97 WeakPolarHBondContact CA-O 3.45Å; L27-F97 HydrophobicContact CB-CB 4.21Å; L27-F97 HydrophobicContact CB-CD2 4.42Å; L27-F97 PolarHBondContact N-O 3.42Å; L27-F97 WeakPolarHBondContact O-CD2 3.38Å; L27-F97 PolarHBondContact O-N 3.5Å; K29-F97 HydrophobicContact CG-CE2 4.47Å; P95-F97 HydrophobicContact CB-CE2 3.85Å; P95-F97 HydrophobicContact CB-CZ 3.78Å; P95-F97 HydrophobicContact CG-CE2 3.89Å; P95-F97 HydrophobicContact CG-CZ 4.07Å |
| 98 | I | 89.4 | Confident | 70.2 | Confident | 19 Ų | 19 | 73.7 Ų | 73.7 | 10% | 0.097 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 161.8 | 178.4 | 60 | 175.4 | 0 | 0 | 0 | 109.9 | L26 L76 N78 I81 V96 A100 | L26-I98 HydrophobicContact CB-CG2 3.93Å; L76-I98 HydrophobicContact CD1-CG2 3.85Å; N78-I98 HydrophobicContact CB-CD1 4.36Å; I81-I98 HydrophobicContact CB-CD1 4.06Å; I81-I98 HydrophobicContact CD1-CD1 3.7Å; I81-I98 HydrophobicContact CD1-CG2 4.21Å; I81-I98 HydrophobicContact CG1-CD1 4.42Å; I81-I98 HydrophobicContact CG2-CD1 4.31Å; I81-I98 HydrophobicContact CG2-CG2 4.36Å; V96-I98 HydrophobicContact CG1-CG2 4.4Å; I98-A100 PolarHBondContact O-N 2.97Å |
| 99 | V | 84.9 | Confident | 69.8 | Low | 22 Ų | 22 | 75.2 Ų | 75.2 | 13% | 0.133 | 44% | 0.435 | C | S | . | . | trans | -82.7 | 114 | 170.6 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | V8 L11 K12 E22 E101 | V8-V99 HydrophobicContact CG1-CG2 4.43Å; L11-V99 HydrophobicContact CD2-CG2 3.85Å; L11-V99 HydrophobicContact CG-CG2 4.21Å; K12-V99 VanDerWaalsContact CE-CG1 3.44Å; K12-V99 HydrophobicContact CG-CG2 3.84Å; E22-V99 HydrophobicContact CB-CB 4.45Å; E22-V99 HydrophobicContact CB-CG2 4.11Å; V99-E101 PolarHBondContact O-N 2.84Å | ||
| 100 | A | 65.3 | Low | 69.5 | Low | 54 Ų | 54 | 73.3 Ų | 73.3 | 45% | 0.446 | 43% | 0.429 | S | S | . | . | trans | -67 | 128 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | N78 I98 S102 | N78-A100 WeakPolarHBondContact ND2-CB 3.4Å; I98-A100 PolarHBondContact O-N 2.97Å; A100-S102 PolarHBondContact O-N 3.35Å | ||
| 101 | E | 59.2 | Low | 69.5 | Low | 101 Ų | 101 | 69.4 Ų | 69.4 | 47% | 0.472 | 42% | 0.416 | S | S | . | . | trans | -71.5 | 110 | 168.2 | -68.5 | -166.5 | 142.3 | 0 | 0 | 109.3 | K75 V99 S103 | K75-E101 WeakPolarHBondContact CE-OE1 3.18Å; K75-E101 IonicContact NZ-OE1 3.61Å; K75-E101 PolarHBondContact NZ-OE1 3.2Å; K75-E101 IonicContact NZ-OE2 2.72Å; V99-E101 PolarHBondContact O-N 2.84Å; E101-S103 PolarHBondContact O-N 2.87Å | ||
| 102 | S | 49.3 | Very low | 69.8 | Low | 102 Ų | 102 | 71.7 Ų | 71.7 | 71% | 0.713 | 42% | 0.417 | S | S | * | . | trans | -66.1 | 119 | 154.8 | 49.5 | 0 | 0 | 0 | 0 | 107 | A100 S104 | A100-S102 PolarHBondContact O-N 3.35Å; S102-S104 PolarHBondContact O-N 3.31Å | ||
| 103 | S | 44.5 | Very low | 69.5 | Low | 102 Ų | 102 | 72.9 Ų | 72.9 | 71% | 0.713 | 42% | 0.421 | S | S | * | . | trans | -51.5 | 107.2 | 177.9 | 52.4 | 0 | 0 | 0 | 0 | 110.7 | E101 A105 | E101-S103 PolarHBondContact O-N 2.87Å; S103-A105 PolarHBondContact O-N 3.24Å | ||
| 104 | S | 48.7 | Very low | 68.9 | Low | 89 Ų | 89 | 73.6 Ų | 73.6 | 62% | 0.622 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 6.8 | -176.7 | 62.5 | 0 | 0 | 0 | 0 | 114.4 | S102 D106 D108 | S102-S104 PolarHBondContact O-N 3.31Å; S104-D106 VanDerWaalsContact C-N 3.35Å; S104-D108 WeakPolarHBondContact O-CB 3.48Å; S104-D108 PolarHBondContact O-N 2.76Å |
| 105 | A | 48.8 | Very low | 68.4 | Low | 74 Ų | 74 | 77.4 Ų | 77.4 | 61% | 0.612 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -71 | -30.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S103 F109 | S103-A105 PolarHBondContact O-N 3.24Å; A105-F109 PolarHBondContact O-N 3.48Å |
| 106 | D | 48.9 | Very low | 67.9 | Low | 122 Ų | 122 | 81 Ų | 81 | 65% | 0.652 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -81.4 | -33.6 | -174.8 | -140.3 | 18.8 | 0 | 0 | 0 | 112.3 | S104 S110 | S104-D106 VanDerWaalsContact C-N 3.35Å; D106-S110 WeakPolarHBondContact O-CB 3.49Å; D106-S110 PolarHBondContact O-N 2.96Å; D106-S110 PolarHBondContact O-OG 2.95Å |
| 107 | E | 52.1 | Low | 67.4 | Low | 145 Ų | 145 | 81.5 Ų | 81.5 | 68% | 0.678 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -72 | -41.6 | 172.5 | -69.7 | -166.6 | 160 | 0 | 0 | 111.7 | F109 S110 V111 | E107-F109 PolarHBondContact O-N 3.38Å; E107-S110 PolarHBondContact O-N 2.89Å; E107-V111 WeakPolarHBondContact O-CB 3.3Å; E107-V111 VanDerWaalsContact O-CG2 3.25Å; E107-V111 WeakPolarHBondContact O-CG2 3.37Å; E107-V111 PolarHBondContact O-N 3.14Å |
| 108 | D | 56.9 | Low | 66.8 | Low | 84 Ų | 84 | 87.7 Ų | 87.7 | 45% | 0.449 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.9 | -33 | -177 | -161.2 | 37.8 | 0 | 0 | 0 | 112.2 | S104 K112 | S104-D108 WeakPolarHBondContact O-CB 3.48Å; S104-D108 PolarHBondContact O-N 2.76Å; D108-K112 WeakPolarHBondContact O-CB 3.12Å; D108-K112 WeakPolarHBondContact O-CD 3.45Å; D108-K112 VanDerWaalsContact O-CG 3.23Å; D108-K112 WeakPolarHBondContact O-CG 3.47Å; D108-K112 PolarHBondContact O-N 3.31Å; D108-K112 VanDerWaalsContact O-N 3.15Å; D108-K112 IonicContact OD1-NZ 3.67Å; D108-K112 IonicContact OD2-NZ 2.69Å; D108-K112 PolarHBondContact OD2-NZ 3.06Å |
| 109 | F | 65.4 | Low | 66.5 | Low | 128 Ų | 128 | 90.7 Ų | 90.7 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.3 | -45.6 | 170.6 | -179.4 | -102 | 0 | 0 | 0 | 111.9 | A105 E107 V111 K112 L113 | A105-F109 PolarHBondContact O-N 3.48Å; E107-F109 PolarHBondContact O-N 3.38Å; F109-V111 VanDerWaalsContact C-N 3.31Å; F109-V111 PolarHBondContact O-N 3.17Å; F109-K112 PolarHBondContact O-N 3.27Å; F109-L113 HydrophobicContact CE1-CD2 4.01Å; F109-L113 HydrophobicContact CZ-CD2 4.45Å; F109-L113 VanDerWaalsContact O-CB 3.26Å; F109-L113 WeakPolarHBondContact O-CB 3.4Å; F109-L113 PolarHBondContact O-N 3.17Å |
| 110 | S | 68 | Low | 66.3 | Low | 53 Ų | 53 | 96.2 Ų | 96.2 | 37% | 0.371 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.8 | -38 | -179.8 | -64 | 0 | 0 | 0 | 0 | 112.3 | D106 E107 N114 | D106-S110 WeakPolarHBondContact O-CB 3.49Å; D106-S110 PolarHBondContact O-N 2.96Å; D106-S110 PolarHBondContact O-OG 2.95Å; E107-S110 PolarHBondContact O-N 2.89Å; S110-N114 WeakPolarHBondContact O-CB 3.38Å; S110-N114 PolarHBondContact O-N 3.01Å; S110-N114 PolarHBondContact O-ND2 3.05Å |
| 111 | V | 74.1 | Confident | 67 | Low | 89 Ų | 89 | 96.9 Ų | 96.9 | 54% | 0.539 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.1 | -44.2 | 175.4 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | E107 F109 N114 T115 | E107-V111 WeakPolarHBondContact O-CB 3.3Å; E107-V111 VanDerWaalsContact O-CG2 3.25Å; E107-V111 WeakPolarHBondContact O-CG2 3.37Å; E107-V111 PolarHBondContact O-N 3.14Å; F109-V111 VanDerWaalsContact C-N 3.31Å; F109-V111 PolarHBondContact O-N 3.17Å; V111-N114 PolarHBondContact O-N 3.16Å; V111-T115 WeakPolarHBondContact O-CB 3.46Å; V111-T115 PolarHBondContact O-N 2.66Å; V111-T115 PolarHBondContact O-OG1 3.08Å |
| 112 | K | 75.9 | Confident | 67.9 | Low | 124 Ų | 124 | 97.1 Ų | 97.1 | 54% | 0.539 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.6 | -40.9 | 176.7 | -75.5 | 169 | -175.9 | 159.8 | 0 | 112.4 | D108 F109 T115 L116 | D108-K112 WeakPolarHBondContact O-CB 3.12Å; D108-K112 WeakPolarHBondContact O-CD 3.45Å; D108-K112 VanDerWaalsContact O-CG 3.23Å; D108-K112 WeakPolarHBondContact O-CG 3.47Å; D108-K112 PolarHBondContact O-N 3.31Å; D108-K112 VanDerWaalsContact O-N 3.15Å; D108-K112 IonicContact OD1-NZ 3.67Å; D108-K112 IonicContact OD2-NZ 2.69Å; D108-K112 PolarHBondContact OD2-NZ 3.06Å; F109-K112 PolarHBondContact O-N 3.27Å; K112-T115 PolarHBondContact O-N 3.46Å; K112-L116 WeakPolarHBondContact O-CB 3.3Å; K112-L116 PolarHBondContact O-N 3.34Å |
| 113 | L | 76.4 | Confident | 69.3 | Low | 76 Ų | 76 | 95.2 Ų | 95.2 | 40% | 0.398 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.7 | -48.6 | 177.2 | -178.6 | 63.8 | 0 | 0 | 0 | 110.9 | F109 T115 L116 L117 | F109-L113 HydrophobicContact CE1-CD2 4.01Å; F109-L113 HydrophobicContact CZ-CD2 4.45Å; F109-L113 VanDerWaalsContact O-CB 3.26Å; F109-L113 WeakPolarHBondContact O-CB 3.4Å; F109-L113 PolarHBondContact O-N 3.17Å; L113-T115 VanDerWaalsContact C-N 3.32Å; L113-T115 PolarHBondContact O-N 3.34Å; L113-L116 PolarHBondContact O-N 3.01Å; L113-L117 HydrophobicContact CD1-CD1 4.39Å; L113-L117 HydrophobicContact CD1-CG 4.45Å; L113-L117 HydrophobicContact CG-CD1 4.11Å; L113-L117 WeakPolarHBondContact O-CB 3.37Å; L113-L117 VanDerWaalsContact O-CG 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.46Å; L113-L117 PolarHBondContact O-N 2.77Å |
| 114 | N | 75.9 | Confident | 70.5 | Confident | 86 Ų | 86 | 93.3 Ų | 93.3 | 46% | 0.46 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 177 | -79.9 | -49.7 | 0 | 0 | 0 | 112.5 | S110 V111 L117 Q118 | S110-N114 WeakPolarHBondContact O-CB 3.38Å; S110-N114 PolarHBondContact O-N 3.01Å; S110-N114 PolarHBondContact O-ND2 3.05Å; V111-N114 PolarHBondContact O-N 3.16Å; N114-L117 PolarHBondContact O-N 3.3Å; N114-Q118 WeakPolarHBondContact O-CG 3.41Å; N114-Q118 PolarHBondContact O-N 2.72Å |
| 115 | T | 81 | Confident | 71.4 | Confident | 85 Ų | 85 | 95.8 Ų | 95.8 | 52% | 0.521 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 176.1 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | V111 K112 L113 Q118 A119 | V111-T115 WeakPolarHBondContact O-CB 3.46Å; V111-T115 PolarHBondContact O-N 2.66Å; V111-T115 PolarHBondContact O-OG1 3.08Å; K112-T115 PolarHBondContact O-N 3.46Å; L113-T115 VanDerWaalsContact C-N 3.32Å; L113-T115 PolarHBondContact O-N 3.34Å; T115-Q118 PolarHBondContact O-N 3.36Å; T115-A119 WeakPolarHBondContact O-CB 3.21Å; T115-A119 PolarHBondContact O-N 3.15Å |
| 116 | L | 80 | Confident | 72.5 | Confident | 109 Ų | 109 | 95.8 Ų | 95.8 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.1 | -40 | 177.9 | -171.8 | 138.2 | 0 | 0 | 0 | 112 | K112 L113 A119 E120 | K112-L116 WeakPolarHBondContact O-CB 3.3Å; K112-L116 PolarHBondContact O-N 3.34Å; L113-L116 PolarHBondContact O-N 3.01Å; L116-A119 PolarHBondContact O-N 3.18Å; L116-E120 WeakPolarHBondContact O-CG 3.44Å; L116-E120 PolarHBondContact O-N 3.22Å; L116-E120 VanDerWaalsContact O-N 3.11Å |
| 117 | L | 81.2 | Confident | 73.3 | Confident | 18 Ų | 18 | 92.6 Ų | 92.6 | 9% | 0.094 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 174.9 | -71.4 | 173.6 | 0 | 0 | 0 | 111.4 | L113 N114 E120 G121 K122 V127 | L113-L117 HydrophobicContact CD1-CD1 4.39Å; L113-L117 HydrophobicContact CD1-CG 4.45Å; L113-L117 HydrophobicContact CG-CD1 4.11Å; L113-L117 WeakPolarHBondContact O-CB 3.37Å; L113-L117 VanDerWaalsContact O-CG 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.46Å; L113-L117 PolarHBondContact O-N 2.77Å; N114-L117 PolarHBondContact O-N 3.3Å; L117-E120 PolarHBondContact O-N 3.04Å; L117-G121 PolarHBondContact O-N 3.09Å; L117-K122 CarbonylContact C-O 3.53Å; L117-K122 VanDerWaalsContact C-O 3.23Å; L117-K122 WeakPolarHBondContact CB-O 2.79Å; L117-K122 HydrophobicContact CD2-CB 4.34Å; L117-K122 PolarHBondContact O-N 3.43Å; L117-V127 HydrophobicContact CD1-CG2 4.37Å; L117-V127 HydrophobicContact CD2-CG2 3.49Å; L117-V127 VanDerWaalsContact CD2-CG2 3.49Å |
| 118 | Q | 76.9 | Confident | 73.8 | Confident | 160 Ų | 160 | 91.6 Ų | 91.6 | 75% | 0.748 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65 | -39.3 | 175.4 | -74.2 | -173.4 | -2.1 | 0 | 0 | 113.2 | N114 T115 E120 G121 | N114-Q118 WeakPolarHBondContact O-CG 3.41Å; N114-Q118 PolarHBondContact O-N 2.72Å; T115-Q118 PolarHBondContact O-N 3.36Å; Q118-E120 VanDerWaalsContact C-N 3.29Å; Q118-E120 PolarHBondContact O-N 3.22Å; Q118-G121 PolarHBondContact O-N 2.89Å; Q118-G121 VanDerWaalsContact O-N 3.15Å |
| 119 | A | 83.6 | Confident | 74.1 | Confident | 81 Ų | 81 | 90.2 Ų | 90.2 | 67% | 0.669 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -34.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T115 L116 G121 | T115-A119 WeakPolarHBondContact O-CB 3.21Å; T115-A119 PolarHBondContact O-N 3.15Å; L116-A119 PolarHBondContact O-N 3.18Å; A119-G121 VanDerWaalsContact C-N 3.31Å |
| 120 | E | 81.4 | Confident | 74 | Confident | 139 Ų | 139 | 90.3 Ų | 90.3 | 65% | 0.65 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 3.3 | 176.9 | -65.9 | -66.3 | 137.7 | 0 | 0 | 113.1 | L116 L117 Q118 K122 | L116-E120 WeakPolarHBondContact O-CG 3.44Å; L116-E120 PolarHBondContact O-N 3.22Å; L116-E120 VanDerWaalsContact O-N 3.11Å; L117-E120 PolarHBondContact O-N 3.04Å; Q118-E120 VanDerWaalsContact C-N 3.29Å; Q118-E120 PolarHBondContact O-N 3.22Å; E120-K122 VanDerWaalsContact C-N 3.26Å; E120-K122 PolarHBondContact O-N 3.43Å |
| 121 | G | 78.8 | Confident | 73.3 | Confident | 68 Ų | 68 | 94.6 Ų | 94.6 | 70% | 0.701 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 24.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L117 Q118 A119 | L117-G121 PolarHBondContact O-N 3.09Å; Q118-G121 PolarHBondContact O-N 2.89Å; Q118-G121 VanDerWaalsContact O-N 3.15Å; A119-G121 VanDerWaalsContact C-N 3.31Å |
| 122 | K | 78.1 | Confident | 72.2 | Confident | 105 Ų | 105 | 95 Ų | 95 | 46% | 0.457 | 53% | 0.531 | S | S | . | . | trans | -110.9 | 149.2 | -178.7 | -66.3 | -174.1 | -179.3 | 176.6 | 0 | 111.3 | L117 E120 | L117-K122 CarbonylContact C-O 3.53Å; L117-K122 VanDerWaalsContact C-O 3.23Å; L117-K122 WeakPolarHBondContact CB-O 2.79Å; L117-K122 HydrophobicContact CD2-CB 4.34Å; L117-K122 PolarHBondContact O-N 3.43Å; E120-K122 VanDerWaalsContact C-N 3.26Å; E120-K122 PolarHBondContact O-N 3.43Å | ||
| 123 | T | 78.6 | Confident | 70.7 | Confident | 62 Ų | 62 | 91.9 Ų | 91.9 | 38% | 0.38 | 53% | 0.534 | S | S | . | . | trans | -102.3 | 163.3 | 177.1 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | E125 D126 V127 | T123-E125 WeakPolarHBondContact CB-OE2 3.01Å; T123-E125 PolarHBondContact O-N 3.42Å; T123-E125 PolarHBondContact OG1-OE2 3.13Å; T123-D126 PolarHBondContact N-OD2 3.31Å; T123-D126 WeakPolarHBondContact O-CB 3.44Å; T123-D126 PolarHBondContact O-N 3.26Å; T123-D126 VanDerWaalsContact O-N 3.1Å; T123-D126 PolarHBondContact OG1-N 2.86Å; T123-D126 PolarHBondContact OG1-OD2 3.42Å; T123-V127 PolarHBondContact O-N 3.13Å | ||
| 124 | A | 69.8 | Low | 68.9 | Low | 62 Ų | 62 | 93 Ų | 93 | 51% | 0.512 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.3 | -29 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V127 H128 | A124-V127 PolarHBondContact O-N 3.3Å; A124-H128 PolarHBondContact O-N 2.87Å |
| 125 | E | 68.7 | Low | 67.7 | Low | 141 Ų | 141 | 98.2 Ų | 98.2 | 66% | 0.659 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.5 | -34.8 | 172.7 | -65.8 | 102.3 | 178 | 0 | 0 | 112.8 | T123 V127 H128 A129 | T123-E125 WeakPolarHBondContact CB-OE2 3.01Å; T123-E125 PolarHBondContact O-N 3.42Å; T123-E125 PolarHBondContact OG1-OE2 3.13Å; E125-V127 VanDerWaalsContact C-N 3.33Å; E125-V127 PolarHBondContact O-N 2.91Å; E125-H128 PolarHBondContact O-N 3.1Å; E125-A129 WeakPolarHBondContact O-CB 3.4Å; E125-A129 PolarHBondContact O-N 2.86Å |
| 126 | D | 70.8 | Confident | 65.8 | Low | 75 Ų | 75 | 99 Ų | 99 | 40% | 0.401 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.2 | -34.9 | 176.7 | -62.6 | -47.5 | 0 | 0 | 0 | 112.1 | T123 L130 | T123-D126 PolarHBondContact N-OD2 3.31Å; T123-D126 WeakPolarHBondContact O-CB 3.44Å; T123-D126 PolarHBondContact O-N 3.26Å; T123-D126 VanDerWaalsContact O-N 3.1Å; T123-D126 PolarHBondContact OG1-N 2.86Å; T123-D126 PolarHBondContact OG1-OD2 3.42Å; D126-L130 WeakPolarHBondContact O-CG 3.39Å; D126-L130 PolarHBondContact O-N 2.94Å; D126-L130 VanDerWaalsContact O-N 3.08Å |
| 127 | V | 66.5 | Low | 64.7 | Low | 55 Ų | 55 | 100.5 Ų | 100.5 | 33% | 0.333 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.3 | -42.7 | 172.5 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | L117 T123 A124 E125 A129 L130 L131 | L117-V127 HydrophobicContact CD1-CG2 4.37Å; L117-V127 HydrophobicContact CD2-CG2 3.49Å; L117-V127 VanDerWaalsContact CD2-CG2 3.49Å; T123-V127 PolarHBondContact O-N 3.13Å; A124-V127 PolarHBondContact O-N 3.3Å; E125-V127 VanDerWaalsContact C-N 3.33Å; E125-V127 PolarHBondContact O-N 2.91Å; V127-A129 VanDerWaalsContact C-N 3.31Å; V127-A129 PolarHBondContact O-N 3.17Å; V127-L130 PolarHBondContact O-N 3.3Å; V127-L131 HydrophobicContact CG1-CD1 4.16Å; V127-L131 WeakPolarHBondContact O-CG 3.39Å; V127-L131 PolarHBondContact O-N 3.34Å; V127-L131 VanDerWaalsContact O-N 3.09Å |
| 128 | H | 61.7 | Low | 63.1 | Low | 123 Ų | 123 | 102.4 Ų | 102.4 | 57% | 0.569 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.6 | -39.4 | 176.1 | -166.1 | -83.5 | 0 | 0 | 0 | 111.6 | A124 E125 L131 T132 | A124-H128 PolarHBondContact O-N 2.87Å; E125-H128 PolarHBondContact O-N 3.1Å; H128-L131 PolarHBondContact O-N 3.39Å; H128-T132 PolarHBondContact O-N 3.4Å; H128-T132 PolarHBondContact O-OG1 2.77Å |
| 129 | A | 63.8 | Low | 62.5 | Low | 56 Ų | 56 | 97.2 Ų | 97.2 | 46% | 0.463 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.1 | -34.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E125 V127 L131 T132 G133 | E125-A129 WeakPolarHBondContact O-CB 3.4Å; E125-A129 PolarHBondContact O-N 2.86Å; V127-A129 VanDerWaalsContact C-N 3.31Å; V127-A129 PolarHBondContact O-N 3.17Å; A129-L131 VanDerWaalsContact C-N 3.31Å; A129-T132 PolarHBondContact O-N 2.79Å; A129-G133 WeakPolarHBondContact O-CA 3.29Å; A129-G133 PolarHBondContact O-N 3.05Å |
| 130 | L | 62.2 | Low | 61.6 | Low | 130 Ų | 130 | 98.3 Ų | 98.3 | 68% | 0.681 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.3 | -31.7 | 171.4 | -76.6 | 164.4 | 0 | 0 | 0 | 112.7 | D126 V127 | D126-L130 WeakPolarHBondContact O-CG 3.39Å; D126-L130 PolarHBondContact O-N 2.94Å; D126-L130 VanDerWaalsContact O-N 3.08Å; V127-L130 PolarHBondContact O-N 3.3Å |
| 131 | L | 54.5 | Low | 60.6 | Low | 143 Ų | 143 | 95.9 Ų | 95.9 | 75% | 0.749 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -80.6 | -23.3 | 176.9 | -69.1 | 167.5 | 0 | 0 | 0 | 112.9 | V127 H128 A129 | V127-L131 HydrophobicContact CG1-CD1 4.16Å; V127-L131 WeakPolarHBondContact O-CG 3.39Å; V127-L131 PolarHBondContact O-N 3.34Å; V127-L131 VanDerWaalsContact O-N 3.09Å; H128-L131 PolarHBondContact O-N 3.39Å; A129-L131 VanDerWaalsContact C-N 3.31Å |
| 132 | T | 51.2 | Low | 59.8 | Low | 98 Ų | 98 | 97.4 Ų | 97.4 | 60% | 0.601 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -108.2 | 0 | -177.2 | 44.7 | 0 | 0 | 0 | 0 | 114.4 | H128 A129 | H128-T132 PolarHBondContact O-N 3.4Å; H128-T132 PolarHBondContact O-OG1 2.77Å; A129-T132 PolarHBondContact O-N 2.79Å |
| 133 | G | 43.8 | Very low | 59.2 | Low | 58 Ų | 58 | 95 Ų | 95 | 60% | 0.598 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -111 | 72.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | A129 | A129-G133 WeakPolarHBondContact O-CA 3.29Å; A129-G133 PolarHBondContact O-N 3.05Å |
| 134 | S | 39.5 | Very low | 58.8 | Low | 100 Ų | 100 | 97.5 Ų | 97.5 | 70% | 0.699 | 58% | 0.575 | S | S | * | * | trans | 173.4 | 116.7 | 144.8 | -180 | 0 | 0 | 0 | 0 | 107 | P136 | S134-P136 WeakPolarHBondContact O-CD 3.36Š| ||
| 135 | E | 49 | Very low | 58.9 | Low | 195 Ų | 195 | 99.7 Ų | 99.7 | 91% | 0.911 | 58% | 0.577 | S | S | * | * | trans | -63.7 | 127.8 | 161.5 | -78.1 | -150 | 150 | 0 | 0 | 109.2 | ||||
| 136 | P | 42.8 | Very low | 59.1 | Low | 102 Ų | 102 | 100.1 Ų | 100.1 | 66% | 0.662 | 57% | 0.573 | S | S | * | * | trans | -106.8 | 138.4 | 155.3 | 16.7 | 5.4 | 0 | 0 | 0 | 108.7 | S134 P138 | S134-P136 WeakPolarHBondContact O-CD 3.36Å; P136-P138 VanDerWaalsContact O-N 3.16Å | ||
| 137 | V | 55.8 | Low | 59.3 | Low | 140 Ų | 140 | 99.1 Ų | 99.1 | 85% | 0.848 | 58% | 0.575 | S | S | * | * | trans | -46 | 122.8 | 163 | 175.7 | 0 | 0 | 0 | 0 | 108.2 | S139 | V137-S139 PolarHBondContact O-N 3.47Š| ||
| 138 | P | 47.2 | Very low | 59.5 | Low | 57 Ų | 57 | 100.2 Ų | 100.2 | 37% | 0.37 | 58% | 0.582 | S | S | . | * | trans | -66 | 127.6 | -173.1 | 26 | -32.7 | 0 | 0 | 0 | 108.5 | P136 E142 S143 | P136-P138 VanDerWaalsContact O-N 3.16Å; P138-E142 HydrophobicContact CB-CB 4.48Å; P138-S143 WeakPolarHBondContact CB-OG 3.47Å; P138-S143 WeakPolarHBondContact CG-OG 3.44Å | ||
| 139 | S | 65.6 | Low | 59.8 | Low | 52 Ų | 52 | 97 Ų | 97 | 36% | 0.364 | 57% | 0.573 | S | S | . | * | trans | -49.5 | 142.6 | 167.5 | 157 | 0 | 0 | 0 | 0 | 109.1 | V137 T141 E142 S143 | V137-S139 PolarHBondContact O-N 3.47Å; S139-T141 PolarHBondContact O-N 3.12Å; S139-T141 PolarHBondContact OG-N 2.89Å; S139-T141 PolarHBondContact OG-OG1 2.8Å; S139-E142 PolarHBondContact O-N 2.81Å; S139-S143 PolarHBondContact O-N 2.97Å | ||
| 140 | P | 63.2 | Low | 60.2 | Low | 104 Ų | 104 | 97.8 Ų | 97.8 | 68% | 0.675 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -50.6 | -30.3 | 175.9 | -25.5 | 33 | 0 | 0 | 0 | 112.4 | L144 | P140-L144 WeakPolarHBondContact O-CB 3.27Å; P140-L144 WeakPolarHBondContact O-CD1 3.36Å; P140-L144 VanDerWaalsContact O-CG 3.27Å; P140-L144 WeakPolarHBondContact O-CG 3.42Å; P140-L144 PolarHBondContact O-N 3.16Å; P140-L144 VanDerWaalsContact O-N 3.07Å |
| 141 | T | 62.2 | Low | 60.6 | Low | 87 Ų | 87 | 97.5 Ų | 97.5 | 53% | 0.534 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.9 | -38.4 | 177.2 | -40.5 | 0 | 0 | 0 | 0 | 112.4 | S139 L144 I145 | S139-T141 PolarHBondContact O-N 3.12Å; S139-T141 PolarHBondContact OG-N 2.89Å; S139-T141 PolarHBondContact OG-OG1 2.8Å; T141-L144 PolarHBondContact O-N 3.16Å; T141-I145 HydrophobicContact CG2-CD1 4.12Å; T141-I145 WeakPolarHBondContact O-CB 3.45Å; T141-I145 WeakPolarHBondContact O-CD1 3.47Å; T141-I145 WeakPolarHBondContact O-CG1 3.33Å; T141-I145 PolarHBondContact O-N 3.18Å |
| 142 | E | 59.9 | Low | 61.2 | Low | 101 Ų | 101 | 96 Ų | 96 | 47% | 0.472 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -72.2 | -36.5 | 175.4 | -84.8 | -172.8 | 143.3 | 0 | 0 | 112.5 | P138 S139 L144 I145 R146 | P138-E142 HydrophobicContact CB-CB 4.48Å; S139-E142 PolarHBondContact O-N 2.81Å; E142-L144 VanDerWaalsContact C-N 3.29Å; E142-L144 PolarHBondContact O-N 2.94Å; E142-I145 PolarHBondContact O-N 2.77Å; E142-R146 VanDerWaalsContact O-CB 3.24Å; E142-R146 WeakPolarHBondContact O-CB 3.48Å; E142-R146 PolarHBondContact O-N 2.85Å |
| 143 | S | 67.4 | Low | 61.6 | Low | 53 Ų | 53 | 96.3 Ų | 96.3 | 37% | 0.371 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.4 | -36.1 | 173.1 | -65.3 | 0 | 0 | 0 | 0 | 111.4 | P138 S139 A147 | P138-S143 WeakPolarHBondContact CB-OG 3.47Å; P138-S143 WeakPolarHBondContact CG-OG 3.44Å; S139-S143 PolarHBondContact O-N 2.97Å; S143-A147 WeakPolarHBondContact O-CB 3.49Å; S143-A147 PolarHBondContact O-N 3.45Å |
| 144 | L | 68.9 | Low | 62.3 | Low | 116 Ų | 116 | 101 Ų | 101 | 61% | 0.607 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.1 | -44.6 | 172.2 | -79.3 | 167 | 0 | 0 | 0 | 112 | P140 T141 E142 R146 A147 V148 | P140-L144 WeakPolarHBondContact O-CB 3.27Å; P140-L144 WeakPolarHBondContact O-CD1 3.36Å; P140-L144 VanDerWaalsContact O-CG 3.27Å; P140-L144 WeakPolarHBondContact O-CG 3.42Å; P140-L144 PolarHBondContact O-N 3.16Å; P140-L144 VanDerWaalsContact O-N 3.07Å; T141-L144 PolarHBondContact O-N 3.16Å; E142-L144 VanDerWaalsContact C-N 3.29Å; E142-L144 PolarHBondContact O-N 2.94Å; L144-R146 VanDerWaalsContact C-N 3.33Å; L144-R146 PolarHBondContact O-N 2.7Å; L144-A147 PolarHBondContact O-N 3.1Å; L144-V148 VanDerWaalsContact O-CB 3.3Å; L144-V148 WeakPolarHBondContact O-CB 3.46Å; L144-V148 WeakPolarHBondContact O-CG2 3.4Å; L144-V148 PolarHBondContact O-N 3.03Å |
| 145 | I | 72.7 | Confident | 63 | Low | 108 Ų | 108 | 100.2 Ų | 100.2 | 55% | 0.554 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.7 | -42.7 | 177.1 | -69.3 | 161.4 | 0 | 0 | 0 | 110.2 | T141 E142 V148 S149 | T141-I145 HydrophobicContact CG2-CD1 4.12Å; T141-I145 WeakPolarHBondContact O-CB 3.45Å; T141-I145 WeakPolarHBondContact O-CD1 3.47Å; T141-I145 WeakPolarHBondContact O-CG1 3.33Å; T141-I145 PolarHBondContact O-N 3.18Å; E142-I145 PolarHBondContact O-N 2.77Å; I145-V148 PolarHBondContact O-N 3.5Å; I145-S149 VanDerWaalsContact O-CB 3.25Å; I145-S149 WeakPolarHBondContact O-CB 3.33Å; I145-S149 PolarHBondContact O-N 3.35Å |
| 146 | R | 73.5 | Confident | 62.9 | Low | 149 Ų | 149 | 94 Ų | 94 | 56% | 0.562 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.7 | -41.5 | 176.2 | -168 | 179.2 | -59.8 | 168.1 | 3.1 | 111.8 | E142 L144 V148 S149 D150 | E142-R146 VanDerWaalsContact O-CB 3.24Å; E142-R146 WeakPolarHBondContact O-CB 3.48Å; E142-R146 PolarHBondContact O-N 2.85Å; L144-R146 VanDerWaalsContact C-N 3.33Å; L144-R146 PolarHBondContact O-N 2.7Å; R146-V148 VanDerWaalsContact C-N 3.32Å; R146-V148 PolarHBondContact O-N 2.63Å; R146-S149 PolarHBondContact O-N 2.91Å; R146-D150 VanDerWaalsContact O-CB 3.29Å; R146-D150 WeakPolarHBondContact O-CB 3.35Å; R146-D150 PolarHBondContact O-N 2.87Å |
| 147 | A | 73.7 | Confident | 62.8 | Low | 55 Ų | 55 | 97.6 Ų | 97.6 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.4 | -36.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S143 L144 L151 | S143-A147 WeakPolarHBondContact O-CB 3.49Å; S143-A147 PolarHBondContact O-N 3.45Å; L144-A147 PolarHBondContact O-N 3.1Å; A147-L151 WeakPolarHBondContact O-CB 3.49Å; A147-L151 PolarHBondContact O-N 3.38Å |
| 148 | V | 71.1 | Confident | 62.5 | Low | 77 Ų | 77 | 96 Ų | 96 | 47% | 0.467 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -72 | -37.7 | 174.3 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | L144 I145 R146 L151 L152 | L144-V148 VanDerWaalsContact O-CB 3.3Å; L144-V148 WeakPolarHBondContact O-CB 3.46Å; L144-V148 WeakPolarHBondContact O-CG2 3.4Å; L144-V148 PolarHBondContact O-N 3.03Å; I145-V148 PolarHBondContact O-N 3.5Å; R146-V148 VanDerWaalsContact C-N 3.32Å; R146-V148 PolarHBondContact O-N 2.63Å; V148-L151 PolarHBondContact O-N 2.92Å; V148-L152 HydrophobicContact CG1-CD1 4.03Å; V148-L152 HydrophobicContact CG1-CG 4.47Å; V148-L152 WeakPolarHBondContact O-CB 3.4Å; V148-L152 VanDerWaalsContact O-CG 3.23Å; V148-L152 WeakPolarHBondContact O-CG 3.24Å; V148-L152 PolarHBondContact O-N 3.37Å |
| 149 | S | 68.8 | Low | 62.3 | Low | 56 Ų | 56 | 97.1 Ų | 97.1 | 39% | 0.392 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.4 | -47.2 | 173.7 | -157.6 | 0 | 0 | 0 | 0 | 110.8 | I145 R146 L151 L152 D153 | I145-S149 VanDerWaalsContact O-CB 3.25Å; I145-S149 WeakPolarHBondContact O-CB 3.33Å; I145-S149 PolarHBondContact O-N 3.35Å; R146-S149 PolarHBondContact O-N 2.91Å; S149-L151 VanDerWaalsContact C-N 3.27Å; S149-L151 PolarHBondContact O-N 3.41Å; S149-L152 CarbonylContact O-C 3.57Å; S149-L152 WeakPolarHBondContact O-CA 3.41Å; S149-L152 WeakPolarHBondContact O-CB 3.48Å; S149-L152 PolarHBondContact O-N 2.86Å; S149-L152 VanDerWaalsContact O-N 3.09Å; S149-D153 WeakPolarHBondContact O-CB 3.46Å; S149-D153 VanDerWaalsContact O-CG 3.26Å; S149-D153 PolarHBondContact O-N 3.42Å |
| 150 | D | 71.9 | Confident | 61.4 | Low | 73 Ų | 73 | 101.3 Ų | 101.3 | 39% | 0.39 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.5 | -32.5 | 174.3 | -73.2 | -12.1 | 0 | 0 | 0 | 111.9 | R146 K154 | R146-D150 VanDerWaalsContact O-CB 3.29Å; R146-D150 WeakPolarHBondContact O-CB 3.35Å; R146-D150 PolarHBondContact O-N 2.87Å; D150-K154 WeakPolarHBondContact O-CB 3.29Å; D150-K154 WeakPolarHBondContact O-CD 3.17Å; D150-K154 WeakPolarHBondContact O-CG 3.49Å; D150-K154 PolarHBondContact O-N 3.47Å |
| 151 | L | 69.2 | Low | 60.4 | Low | 123 Ų | 123 | 103.1 Ų | 103.1 | 64% | 0.644 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -72.5 | -37.6 | 173.8 | -164.7 | 88 | 0 | 0 | 0 | 111 | A147 V148 S149 A155 | A147-L151 WeakPolarHBondContact O-CB 3.49Å; A147-L151 PolarHBondContact O-N 3.38Å; V148-L151 PolarHBondContact O-N 2.92Å; S149-L151 VanDerWaalsContact C-N 3.27Å; S149-L151 PolarHBondContact O-N 3.41Å; L151-A155 WeakPolarHBondContact O-CB 3.29Å; L151-A155 PolarHBondContact O-N 2.81Å |
| 152 | L | 67.3 | Low | 59.6 | Low | 111 Ų | 111 | 102.6 Ų | 102.6 | 58% | 0.581 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.3 | -39 | 173.3 | -76 | 166 | 0 | 0 | 0 | 111.1 | V148 S149 A155 A156 | V148-L152 HydrophobicContact CG1-CD1 4.03Å; V148-L152 HydrophobicContact CG1-CG 4.47Å; V148-L152 WeakPolarHBondContact O-CB 3.4Å; V148-L152 VanDerWaalsContact O-CG 3.23Å; V148-L152 WeakPolarHBondContact O-CG 3.24Å; V148-L152 PolarHBondContact O-N 3.37Å; S149-L152 CarbonylContact O-C 3.57Å; S149-L152 WeakPolarHBondContact O-CA 3.41Å; S149-L152 WeakPolarHBondContact O-CB 3.48Å; S149-L152 PolarHBondContact O-N 2.86Å; S149-L152 VanDerWaalsContact O-N 3.09Å; L152-A155 CarbonylContact O-C 3.23Å; L152-A155 PolarHBondContact O-N 2.83Å; L152-A156 WeakPolarHBondContact O-CB 3.46Å; L152-A156 PolarHBondContact O-N 3.4Å |
| 153 | D | 60.6 | Low | 58.9 | Low | 105 Ų | 105 | 100.7 Ų | 100.7 | 56% | 0.561 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -72.5 | -35.2 | 176.4 | -70.1 | -32 | 0 | 0 | 0 | 111.7 | S149 A156 | S149-D153 WeakPolarHBondContact O-CB 3.46Å; S149-D153 VanDerWaalsContact O-CG 3.26Å; S149-D153 PolarHBondContact O-N 3.42Å; D153-A156 CarbonylContact O-C 3.59Å; D153-A156 PolarHBondContact O-N 3.21Å |
| 154 | K | 59.1 | Low | 58.3 | Low | 158 Ų | 158 | 102.2 Ų | 102.2 | 69% | 0.687 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -77.2 | -29 | 172.5 | -74.6 | 169 | -177.7 | 164.1 | 0 | 113 | D150 A156 | D150-K154 WeakPolarHBondContact O-CB 3.29Å; D150-K154 WeakPolarHBondContact O-CD 3.17Å; D150-K154 WeakPolarHBondContact O-CG 3.49Å; D150-K154 PolarHBondContact O-N 3.47Å; K154-A156 VanDerWaalsContact C-N 3.33Å |
| 155 | A | 53.1 | Low | 57.9 | Low | 82 Ų | 82 | 99.7 Ų | 99.7 | 68% | 0.678 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -76.1 | -25.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L151 L152 K157 | L151-A155 WeakPolarHBondContact O-CB 3.29Å; L151-A155 PolarHBondContact O-N 2.81Å; L152-A155 CarbonylContact O-C 3.23Å; L152-A155 PolarHBondContact O-N 2.83Å; A155-K157 PolarHBondContact O-N 2.99Å |
| 156 | A | 47.6 | Very low | 57.9 | Low | 66 Ų | 66 | 105.5 Ų | 105.5 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | trans | -80 | 55.4 | 167 | 0 | 0 | 0 | 0 | 0 | 111.3 | L152 D153 K154 | L152-A156 WeakPolarHBondContact O-CB 3.46Å; L152-A156 PolarHBondContact O-N 3.4Å; D153-A156 CarbonylContact O-C 3.59Å; D153-A156 PolarHBondContact O-N 3.21Å; K154-A156 VanDerWaalsContact C-N 3.33Å | ||
| 157 | K | 40.8 | Very low | 58.3 | Low | 176 Ų | 176 | 107.8 Ų | 107.8 | 77% | 0.765 | 62% | 0.622 | S | S | * | * | trans | -64.1 | 146.2 | 152.8 | -95.6 | -179.8 | 177.8 | 175.9 | 0 | 108.7 | A155 A159 | A155-K157 PolarHBondContact O-N 2.99Å; K157-A159 PolarHBondContact O-N 3.24Å | ||
| 158 | P | 47.7 | Very low | 59.2 | Low | 106 Ų | 106 | 105.8 Ų | 105.8 | 69% | 0.688 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -70.1 | 98.4 | -146 | 29.7 | -35.1 | 0 | 0 | 0 | 110.9 | T160 | P158-T160 VanDerWaalsContact C-N 3.28Š|
| 159 | A | 45 | Very low | 60.2 | Low | 81 Ų | 81 | 109.8 Ų | 109.8 | 67% | 0.669 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -86.8 | -4.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K157 | K157-A159 PolarHBondContact O-N 3.24Š|
| 160 | T | 45.8 | Very low | 61.5 | Low | 140 Ų | 140 | 108.9 Ų | 108.9 | 86% | 0.859 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -114.9 | 10.8 | -165.8 | -22.3 | 0 | 0 | 0 | 0 | 114.8 | P158 | P158-T160 VanDerWaalsContact C-N 3.28Š|
| 161 | E | 42.2 | Very low | 62.7 | Low | 143 Ų | 143 | 105.8 Ų | 105.8 | 67% | 0.668 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -99.2 | 14.7 | 157.7 | -72.1 | -164.8 | 169.8 | 0 | 0 | 112.2 | G163 | E161-G163 PolarHBondContact O-N 3.21Å; E161-G163 VanDerWaalsContact O-N 3.11Å |
| 162 | A | 45.3 | Very low | 63.9 | Low | 76 Ų | 76 | 100.1 Ų | 100.1 | 63% | 0.628 | 56% | 0.556 | S | S | * | * | trans | -85.2 | 64.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | G164 | A162-G164 VanDerWaalsContact C-N 3.35Å; A162-G164 PolarHBondContact O-N 3.01Å | ||
| 163 | G | 45.4 | Very low | 65.1 | Low | 61 Ų | 61 | 95.6 Ų | 95.6 | 63% | 0.629 | 54% | 0.536 | S | S | * | . | trans | -61.1 | 99.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | E161 F165 | E161-G163 PolarHBondContact O-N 3.21Å; E161-G163 VanDerWaalsContact O-N 3.11Å; G163-F165 PolarHBondContact O-N 3.42Å | ||
| 164 | G | 54 | Low | 66.6 | Low | 84 Ų | 84 | 94.6 Ų | 94.6 | 87% | 0.866 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 76.6 | -34.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | A162 | A162-G164 VanDerWaalsContact C-N 3.35Å; A162-G164 PolarHBondContact O-N 3.01Å |
| 165 | F | 61.3 | Low | 67.9 | Low | 64 Ų | 64 | 94.3 Ų | 94.3 | 28% | 0.281 | 54% | 0.535 | S | S | . | . | trans | -105.5 | 133.4 | -166.6 | -133.7 | -93.9 | 0 | 0 | 0 | 114.3 | G163 M193 M194 V197 | G163-F165 PolarHBondContact O-N 3.42Å; F165-M193 HydrophobicContact CE1-CB 4.49Å; F165-M193 HydrophobicContact CZ-CB 3.73Å; F165-M194 HydrophobicContact CD1-CB 3.63Å; F165-M194 HydrophobicContact CD1-CG 3.72Å; F165-M194 VanDerWaalsContact CE1-CA 3.46Å; F165-M194 HydrophobicContact CE1-CB 3.57Å; F165-M194 HydrophobicContact CE1-CG 4.21Å; F165-M194 HydrophobicContact CG-CB 4.42Å; F165-M194 HydrophobicContact CG-CG 4.28Å; F165-M194 HydrophobicContact CZ-CB 4.34Å; F165-V197 HydrophobicContact CD2-CB 4.01Å; F165-V197 HydrophobicContact CD2-CG1 3.96Å; F165-V197 HydrophobicContact CE2-CB 3.65Å; F165-V197 HydrophobicContact CE2-CG1 3.83Å; F165-V197 HydrophobicContact CE2-CG2 4.18Å | ||
| 166 | R | 71.6 | Confident | 69.6 | Low | 230 Ų | 230 | 96 Ų | 96 | 87% | 0.868 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 140 | 173.3 | -66.5 | -170.2 | -156.8 | -137.1 | 4.9 | 109.6 | L168 | R166-L168 PolarHBondContact O-N 3.35Š|
| 167 | R | 83.8 | Confident | 71.7 | Confident | 197 Ų | 197 | 94.7 Ų | 94.7 | 74% | 0.743 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 132.6 | 173 | -177.4 | 178.7 | 177.1 | 174.6 | 2.5 | 110.4 | ||
| 168 | L | 91.3 | Very high | 74.1 | Confident | 12 Ų | 12 | 88.3 Ų | 88.3 | 6% | 0.063 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 140.4 | 175 | -68.2 | 176.2 | 0 | 0 | 0 | 111.3 | R166 W187 Q190 A191 M194 | R166-L168 PolarHBondContact O-N 3.35Å; L168-W187 HydrophobicContact CD1-CZ2 4.47Å; L168-Q190 HydrophobicContact CD2-CB 3.78Å; L168-Q190 WeakPolarHBondContact CD2-O 3.26Å; L168-A191 HydrophobicContact CD1-CB 4.06Å; L168-A191 HydrophobicContact CD2-CB 4.29Å; L168-M194 HydrophobicContact CD1-CE 4.15Å; L168-M194 HydrophobicContact CD1-SD 3.64Å; L168-M194 HydrophobicContact CD2-CB 4.1Å; L168-M194 HydrophobicContact CG-CB 4.49Å; L168-M194 HydrophobicContact CG-SD 3.89Å |
| 169 | R | 92.9 | Very high | 76 | Confident | 161 Ų | 161 | 88.6 Ų | 88.6 | 61% | 0.608 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 160.2 | 171.5 | -70.4 | -68.1 | -168.7 | -166 | 0.9 | 110.5 | E182 W187 S212 | R169-E182 HydrophobicContact CB-CB 3.77Å; R169-E182 HydrophobicContact CB-CG 4.31Å; R169-W187 PolarHBondContact O-NE1 3.24Å; R169-S212 WeakPolarHBondContact O-CB 3.47Å |
| 170 | T | 95.3 | Very high | 78.1 | Confident | 37 Ų | 37 | 88.3 Ų | 88.3 | 23% | 0.227 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 137.2 | -179.8 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | E181 E182 S212 K214 | T170-E181 HydrophobicContact CG2-CG 4.23Å; T170-E181 WeakPolarHBondContact O-CA 3.31Å; T170-E181 WeakPolarHBondContact O-CB 3.48Å; T170-E182 PolarHBondContact O-N 2.98Å; T170-S212 CarbonylContact C-O 3.54Å; T170-S212 WeakPolarHBondContact CA-O 3.45Å; T170-K214 HydrophobicContact CG2-CB 4.39Å; T170-K214 HydrophobicContact CG2-CD 3.56Å; T170-K214 HydrophobicContact CG2-CG 3.77Å |
| 171 | F | 97 | Very high | 80.4 | Confident | 9 Ų | 9 | 83.9 Ų | 83.9 | 4% | 0.039 | 49% | 0.487 | C | S | . | . | B | Isolated β-bridge | trans | -132 | 127.7 | 173 | 169.5 | -113 | 0 | 0 | 0 | 110.6 | F184 W187 S212 L213 K214 A217 F244 | F171-F184 HydrophobicContact CD1-CD2 4.25Å; F171-F184 AromaticContact CE1-CD2 3.51Å; F171-F184 HydrophobicContact CE1-CD2 3.51Å; F171-F184 HydrophobicContact CE1-CE2 4.03Å; F171-F184 HydrophobicContact CE2-CB 3.73Å; F171-F184 AromaticContact CE2-CD2 3.9Å; F171-F184 HydrophobicContact CE2-CD2 3.9Å; F171-F184 HydrophobicContact CE2-CG 4.29Å; F171-F184 HydrophobicContact CZ-CB 3.9Å; F171-F184 AromaticContact CZ-CD2 3.3Å; F171-F184 HydrophobicContact CZ-CD2 3.3Å; F171-F184 HydrophobicContact CZ-CE2 4.2Å; F171-F184 AromaticContact CZ-CG 3.97Å; F171-F184 HydrophobicContact CZ-CG 3.97Å; F171-W187 HydrophobicContact CB-CB 4.19Å; F171-W187 HydrophobicContact CB-CD2 3.83Å; F171-W187 HydrophobicContact CB-CG 3.57Å; F171-W187 HydrophobicContact CD1-CD2 4.23Å; F171-W187 HydrophobicContact CD1-CE3 4.18Å; F171-W187 HydrophobicContact CG-CD2 4.2Å; F171-W187 HydrophobicContact CG-CG 4.17Å; F171-S212 PolarHBondContact N-O 3.16Å; F171-L213 HydrophobicContact CB-CD2 4.43Å; F171-L213 HydrophobicContact CD1-CD2 3.74Å; F171-L213 CarbonylContact O-C 3.51Å; F171-L213 WeakPolarHBondContact O-CA 3.45Å; F171-K214 PolarHBondContact O-N 2.99Å; F171-A217 HydrophobicContact CD1-CB 3.6Å; F171-A217 HydrophobicContact CE1-CB 3.42Å; F171-A217 VanDerWaalsContact CE1-CB 3.42Å; F171-A217 HydrophobicContact CZ-CB 4.33Å; F171-F244 HydrophobicContact CE1-CD2 4.12Å; F171-F244 HydrophobicContact CE1-CG 4.15Å; F171-F244 HydrophobicContact CZ-CB 4.04Å; F171-F244 HydrophobicContact CZ-CD1 4.07Å; F171-F244 HydrophobicContact CZ-CD2 4.29Å; F171-F244 AromaticContact CZ-CG 3.86Å; F171-F244 HydrophobicContact CZ-CG 3.86Å |
| 172 | S | 95.1 | Very high | 82.8 | Confident | 3 Ų | 3 | 79.4 Ų | 79.4 | 2% | 0.021 | 47% | 0.466 | C | S | . | . | trans | -105.5 | -17.3 | -179.2 | 61.7 | 0 | 0 | 0 | 0 | 115.4 | I174 E181 K214 P216 A217 | S172-I174 VanDerWaalsContact C-N 3.28Å; S172-I174 PolarHBondContact OG-N 3.32Å; S172-E181 WeakPolarHBondContact CB-OE2 3.44Å; S172-E181 PolarHBondContact N-OE2 3.17Å; S172-E181 PolarHBondContact OG-OE2 2.94Å; S172-K214 CarbonylContact C-O 3.56Å; S172-K214 VanDerWaalsContact CA-O 3.27Å; S172-K214 WeakPolarHBondContact CA-O 3.47Å; S172-K214 VanDerWaalsContact O-O 3.06Å; S172-P216 WeakPolarHBondContact O-CD 3.04Å; S172-A217 PolarHBondContact O-N 3.24Å; S172-A217 VanDerWaalsContact O-N 3.11Å | ||
| 173 | G | 92.6 | Very high | 85.1 | Confident | 16 Ų | 16 | 80.8 Ų | 80.8 | 17% | 0.165 | 46% | 0.459 | C | S | . | . | trans | 75.3 | 11.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 174 | I | 92.4 | Very high | 87.3 | Confident | 84 Ų | 84 | 78.9 Ų | 78.9 | 43% | 0.431 | 43% | 0.434 | S | S | . | . | trans | -91.4 | 133.5 | 177.4 | -60.2 | 173.8 | 0 | 0 | 0 | 110.2 | S172 P176 T177 P178 P216 | S172-I174 VanDerWaalsContact C-N 3.28Å; S172-I174 PolarHBondContact OG-N 3.32Å; I174-P176 CarbonylContact O-C 3.39Å; I174-T177 WeakPolarHBondContact O-CA 3.48Å; I174-T177 PolarHBondContact O-N 3.37Å; I174-P178 HydrophobicContact CB-CG 4.32Å; I174-P178 HydrophobicContact CG2-CG 4.5Å; I174-P216 HydrophobicContact CG1-CG 4.36Å | ||
| 175 | L | 86.4 | Confident | 89 | Confident | 152 Ų | 152 | 78.2 Ų | 78.2 | 80% | 0.796 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -115 | 133.1 | 175 | -71.8 | 172 | 0 | 0 | 0 | 111.2 | ||
| 176 | P | 87.7 | Confident | 90.5 | Very high | 118 Ų | 118 | 79.1 Ų | 79.1 | 77% | 0.766 | 42% | 0.415 | S | S | * | . | S | Bend | cis | -67.6 | 150.2 | -4.6 | 29.8 | -35 | 0 | 0 | 0 | 112.3 | I174 P178 | I174-P176 CarbonylContact O-C 3.39Å; P176-P178 WeakPolarHBondContact O-CD 3.4Å |
| 177 | T | 91.3 | Very high | 91.6 | Very high | 39 Ų | 39 | 68.2 Ų | 68.2 | 24% | 0.239 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 124 | -176.4 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | I174 E181 Q183 | I174-T177 WeakPolarHBondContact O-CA 3.48Å; I174-T177 PolarHBondContact O-N 3.37Å; T177-E181 HydrophobicContact CG2-CB 3.99Å; T177-Q183 HydrophobicContact CG2-CG 4.42Å |
| 178 | P | 92.1 | Very high | 92.1 | Very high | 42 Ų | 42 | 59.6 Ų | 59.6 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 149.5 | 178.1 | -26.1 | 34.9 | 0 | 0 | 0 | 113.3 | I174 P176 G180 E181 | I174-P178 HydrophobicContact CB-CG 4.32Å; I174-P178 HydrophobicContact CG2-CG 4.5Å; P176-P178 WeakPolarHBondContact O-CD 3.4Å; P178-G180 PolarHBondContact O-N 3.08Å; P178-E181 HydrophobicContact CB-CG 4.16Å; P178-E181 WeakPolarHBondContact CD-OE2 3.25Å; P178-E181 WeakPolarHBondContact O-CB 3.33Å; P178-E181 PolarHBondContact O-N 2.82Å; P178-E181 VanDerWaalsContact O-N 3.07Å |
| 179 | A | 88.1 | Confident | 92.1 | Very high | 111 Ų | 111 | 64.7 Ų | 64.7 | 92% | 0.917 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 126 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 180 | G | 88.5 | Confident | 92.1 | Very high | 75 Ų | 75 | 59.7 Ų | 59.7 | 77% | 0.773 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.5 | -1.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | P178 | P178-G180 PolarHBondContact O-N 3.08Š|
| 181 | E | 93.4 | Very high | 92 | Very high | 48 Ų | 48 | 58 Ų | 58 | 22% | 0.224 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -99.9 | 159.7 | 169.5 | -61.8 | -171 | 179.2 | 0 | 0 | 111.3 | T170 S172 T177 P178 | T170-E181 HydrophobicContact CG2-CG 4.23Å; T170-E181 WeakPolarHBondContact O-CA 3.31Å; T170-E181 WeakPolarHBondContact O-CB 3.48Å; S172-E181 WeakPolarHBondContact CB-OE2 3.44Å; S172-E181 PolarHBondContact N-OE2 3.17Å; S172-E181 PolarHBondContact OG-OE2 2.94Å; T177-E181 HydrophobicContact CG2-CB 3.99Å; P178-E181 HydrophobicContact CB-CG 4.16Å; P178-E181 WeakPolarHBondContact CD-OE2 3.25Å; P178-E181 WeakPolarHBondContact O-CB 3.33Å; P178-E181 PolarHBondContact O-N 2.82Å; P178-E181 VanDerWaalsContact O-N 3.07Å |
| 182 | E | 93.9 | Very high | 91.9 | Very high | 48 Ų | 48 | 61.8 Ų | 61.8 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 146.5 | -179.8 | -164.8 | 67.8 | -115.9 | 0 | 0 | 110.4 | R169 T170 H186 W187 | R169-E182 HydrophobicContact CB-CB 3.77Å; R169-E182 HydrophobicContact CB-CG 4.31Å; T170-E182 PolarHBondContact O-N 2.98Å; E182-H186 HydrophobicContact CG-CB 3.92Å; E182-H186 WeakPolarHBondContact OE1-CB 3.43Å; E182-H186 IonicContact OE1-CG 3.49Å; E182-H186 IonicContact OE1-ND1 3.87Å; E182-W187 HydrophobicContact CB-CB 4.03Å; E182-W187 HydrophobicContact CG-CB 3.84Å |
| 183 | Q | 92.5 | Very high | 91.6 | Very high | 106 Ų | 106 | 66.1 Ų | 66.1 | 50% | 0.495 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 153.8 | 172.6 | -61.5 | -170.1 | -48 | 0 | 0 | 110.4 | T177 D185 H186 W187 | T177-Q183 HydrophobicContact CG2-CG 4.42Å; Q183-D185 PolarHBondContact O-N 3.23Å; Q183-H186 PolarHBondContact O-N 3.47Å; Q183-H186 PolarHBondContact OE1-CE1 3.19Å; Q183-W187 WeakPolarHBondContact O-CB 3.34Å; Q183-W187 PolarHBondContact O-N 2.87Å |
| 184 | F | 92.8 | Very high | 91.6 | Very high | 20 Ų | 20 | 65.6 Ų | 65.6 | 9% | 0.088 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -54.4 | -53.4 | -173.4 | -179 | -112.2 | 0 | 0 | 0 | 113.1 | F171 H186 W187 L188 L240 D241 F244 G245 | F171-F184 HydrophobicContact CD1-CD2 4.25Å; F171-F184 AromaticContact CE1-CD2 3.51Å; F171-F184 HydrophobicContact CE1-CD2 3.51Å; F171-F184 HydrophobicContact CE1-CE2 4.03Å; F171-F184 HydrophobicContact CE2-CB 3.73Å; F171-F184 AromaticContact CE2-CD2 3.9Å; F171-F184 HydrophobicContact CE2-CD2 3.9Å; F171-F184 HydrophobicContact CE2-CG 4.29Å; F171-F184 HydrophobicContact CZ-CB 3.9Å; F171-F184 AromaticContact CZ-CD2 3.3Å; F171-F184 HydrophobicContact CZ-CD2 3.3Å; F171-F184 HydrophobicContact CZ-CE2 4.2Å; F171-F184 AromaticContact CZ-CG 3.97Å; F171-F184 HydrophobicContact CZ-CG 3.97Å; F184-H186 PolarHBondContact O-N 2.94Å; F184-W187 HydrophobicContact CE2-CE3 4.41Å; F184-W187 PolarHBondContact O-N 3.34Å; F184-L188 HydrophobicContact CE1-CD2 3.84Å; F184-L188 HydrophobicContact CE2-CB 4.38Å; F184-L188 HydrophobicContact CE2-CD1 4.39Å; F184-L188 HydrophobicContact CZ-CB 4.24Å; F184-L188 HydrophobicContact CZ-CD1 4.08Å; F184-L188 HydrophobicContact CZ-CD2 3.76Å; F184-L188 HydrophobicContact CZ-CG 4.24Å; F184-L188 VanDerWaalsContact O-CB 3.31Å; F184-L188 WeakPolarHBondContact O-CB 3.44Å; F184-L188 PolarHBondContact O-N 3.01Å; F184-L240 HydrophobicContact CE2-CB 4.16Å; F184-L240 HydrophobicContact CZ-CB 4.45Å; F184-L240 WeakPolarHBondContact CZ-O 3.47Å; F184-D241 HydrophobicContact CZ-CB 4.4Å; F184-F244 HydrophobicContact CD1-CB 4.09Å; F184-F244 VanDerWaalsContact CD1-O 3.3Å; F184-F244 WeakPolarHBondContact CD1-O 3.38Å; F184-F244 HydrophobicContact CD2-CB 3.69Å; F184-F244 HydrophobicContact CE1-CB 4.19Å; F184-F244 HydrophobicContact CE2-CB 3.78Å; F184-F244 HydrophobicContact CG-CB 3.84Å; F184-F244 HydrophobicContact CZ-CB 4.03Å; F184-G245 VanDerWaalsContact CE1-N 3.32Å |
| 185 | D | 89.7 | Confident | 91.6 | Very high | 70 Ų | 70 | 61.9 Ų | 61.9 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -54.4 | -50.4 | -178.7 | -65 | -17.1 | 0 | 0 | 0 | 112 | Q183 W187 L188 E189 | Q183-D185 PolarHBondContact O-N 3.23Å; D185-W187 PolarHBondContact O-N 2.92Å; D185-L188 PolarHBondContact O-N 3.29Å; D185-E189 WeakPolarHBondContact O-CG 3.49Å; D185-E189 PolarHBondContact O-N 3.07Å |
| 186 | H | 91.3 | Very high | 91.7 | Very high | 84 Ų | 84 | 62.3 Ų | 62.3 | 39% | 0.389 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.7 | -37.9 | -179.3 | -56.5 | 115.1 | 0 | 0 | 0 | 112.5 | E182 Q183 F184 Q190 | E182-H186 HydrophobicContact CG-CB 3.92Å; E182-H186 WeakPolarHBondContact OE1-CB 3.43Å; E182-H186 IonicContact OE1-CG 3.49Å; E182-H186 IonicContact OE1-ND1 3.87Å; Q183-H186 PolarHBondContact O-N 3.47Å; Q183-H186 PolarHBondContact OE1-CE1 3.19Å; F184-H186 PolarHBondContact O-N 2.94Å; H186-Q190 VanDerWaalsContact O-CG 3.26Å; H186-Q190 WeakPolarHBondContact O-CG 3.26Å; H186-Q190 PolarHBondContact O-N 2.81Å; H186-Q190 VanDerWaalsContact O-N 3.13Å |
| 187 | W | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 176.3 | 178.3 | 89 | 0 | 0 | 0 | 111.1 | L168 R169 F171 E182 Q183 F184 D185 Q190 A191 I209 S212 L213 L237 L240 | L168-W187 HydrophobicContact CD1-CZ2 4.47Å; R169-W187 PolarHBondContact O-NE1 3.24Å; F171-W187 HydrophobicContact CB-CB 4.19Å; F171-W187 HydrophobicContact CB-CD2 3.83Å; F171-W187 HydrophobicContact CB-CG 3.57Å; F171-W187 HydrophobicContact CD1-CD2 4.23Å; F171-W187 HydrophobicContact CD1-CE3 4.18Å; F171-W187 HydrophobicContact CG-CD2 4.2Å; F171-W187 HydrophobicContact CG-CG 4.17Å; E182-W187 HydrophobicContact CB-CB 4.03Å; E182-W187 HydrophobicContact CG-CB 3.84Å; Q183-W187 WeakPolarHBondContact O-CB 3.34Å; Q183-W187 PolarHBondContact O-N 2.87Å; F184-W187 HydrophobicContact CE2-CE3 4.41Å; F184-W187 PolarHBondContact O-N 3.34Å; D185-W187 PolarHBondContact O-N 2.92Å; W187-Q190 WeakPolarHBondContact O-CB 3.49Å; W187-Q190 PolarHBondContact O-N 2.77Å; W187-A191 HydrophobicContact CE3-CB 4.38Å; W187-A191 HydrophobicContact CH2-CB 3.97Å; W187-A191 HydrophobicContact CZ2-CB 4.18Å; W187-A191 HydrophobicContact CZ3-CB 4.09Å; W187-A191 WeakPolarHBondContact O-CB 3.39Å; W187-A191 PolarHBondContact O-N 3.29Å; W187-I209 HydrophobicContact CH2-CG2 4.16Å; W187-I209 HydrophobicContact CZ2-CG2 4.43Å; W187-S212 VanDerWaalsContact CZ2-OG 3.24Å; W187-S212 WeakPolarHBondContact CZ2-OG 3.44Å; W187-S212 PolarHBondContact NE1-OG 2.99Å; W187-L213 HydrophobicContact CH2-CD2 3.66Å; W187-L213 HydrophobicContact CH2-CG 4.44Å; W187-L213 HydrophobicContact CZ2-CD2 3.45Å; W187-L213 VanDerWaalsContact CZ2-CD2 3.45Å; W187-L213 HydrophobicContact CZ2-CG 4.14Å; W187-L213 HydrophobicContact CZ3-CD2 4.35Å; W187-L237 HydrophobicContact CH2-CD2 3.98Å; W187-L237 HydrophobicContact CZ3-CD2 4.18Å; W187-L240 HydrophobicContact CH2-CD1 3.52Å; W187-L240 HydrophobicContact CZ3-CD1 3.72Å |
| 188 | L | 94.1 | Very high | 91.4 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 9% | 0.089 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.2 | -44 | -179.5 | -173.2 | 68.4 | 0 | 0 | 0 | 110.8 | F184 D185 Q190 A191 Y192 L237 D241 | F184-L188 HydrophobicContact CE1-CD2 3.84Å; F184-L188 HydrophobicContact CE2-CB 4.38Å; F184-L188 HydrophobicContact CE2-CD1 4.39Å; F184-L188 HydrophobicContact CZ-CB 4.24Å; F184-L188 HydrophobicContact CZ-CD1 4.08Å; F184-L188 HydrophobicContact CZ-CD2 3.76Å; F184-L188 HydrophobicContact CZ-CG 4.24Å; F184-L188 VanDerWaalsContact O-CB 3.31Å; F184-L188 WeakPolarHBondContact O-CB 3.44Å; F184-L188 PolarHBondContact O-N 3.01Å; D185-L188 PolarHBondContact O-N 3.29Å; L188-Q190 PolarHBondContact O-N 2.66Å; L188-A191 PolarHBondContact O-N 3.03Å; L188-A191 VanDerWaalsContact O-N 3.17Å; L188-Y192 HydrophobicContact CD1-CD2 4.1Å; L188-Y192 HydrophobicContact CD1-CE2 3.69Å; L188-Y192 HydrophobicContact CD2-CE2 4.04Å; L188-Y192 HydrophobicContact CG-CD2 3.83Å; L188-Y192 HydrophobicContact CG-CE2 3.65Å; L188-Y192 WeakPolarHBondContact O-CD2 3.44Å; L188-Y192 PolarHBondContact O-N 3.46Å; L188-L237 HydrophobicContact CD1-CB 4.24Å; L188-L237 HydrophobicContact CD1-CD2 4.36Å; L188-D241 HydrophobicContact CD2-CB 4.08Å |
| 189 | E | 91.4 | Very high | 90.9 | Very high | 118 Ų | 118 | 67.1 Ų | 67.1 | 55% | 0.551 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -57.5 | -46.3 | 172.6 | -73.9 | 176.2 | -178.5 | 0 | 0 | 111.8 | D185 A191 M193 | D185-E189 WeakPolarHBondContact O-CG 3.49Å; D185-E189 PolarHBondContact O-N 3.07Å; E189-A191 VanDerWaalsContact C-N 3.3Å; E189-A191 PolarHBondContact O-N 3.01Å; E189-M193 WeakPolarHBondContact O-CG 3.25Å; E189-M193 PolarHBondContact O-N 3.32Å; E189-M193 VanDerWaalsContact O-N 3.07Å |
| 190 | Q | 92.9 | Very high | 90.8 | Very high | 57 Ų | 57 | 63.1 Ų | 63.1 | 27% | 0.266 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 175.8 | -71.2 | 172.7 | 12.7 | 0 | 0 | 112.1 | L168 H186 W187 L188 M194 | L168-Q190 HydrophobicContact CD2-CB 3.78Å; L168-Q190 WeakPolarHBondContact CD2-O 3.26Å; H186-Q190 VanDerWaalsContact O-CG 3.26Å; H186-Q190 WeakPolarHBondContact O-CG 3.26Å; H186-Q190 PolarHBondContact O-N 2.81Å; H186-Q190 VanDerWaalsContact O-N 3.13Å; W187-Q190 WeakPolarHBondContact O-CB 3.49Å; W187-Q190 PolarHBondContact O-N 2.77Å; L188-Q190 PolarHBondContact O-N 2.66Å; Q190-M194 WeakPolarHBondContact O-CB 3.48Å; Q190-M194 PolarHBondContact O-N 3.37Å |
| 191 | A | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.3 | -43.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L168 W187 L188 E189 M194 V195 L237 | L168-A191 HydrophobicContact CD1-CB 4.06Å; L168-A191 HydrophobicContact CD2-CB 4.29Å; W187-A191 HydrophobicContact CE3-CB 4.38Å; W187-A191 HydrophobicContact CH2-CB 3.97Å; W187-A191 HydrophobicContact CZ2-CB 4.18Å; W187-A191 HydrophobicContact CZ3-CB 4.09Å; W187-A191 WeakPolarHBondContact O-CB 3.39Å; W187-A191 PolarHBondContact O-N 3.29Å; L188-A191 PolarHBondContact O-N 3.03Å; L188-A191 VanDerWaalsContact O-N 3.17Å; E189-A191 VanDerWaalsContact C-N 3.3Å; E189-A191 PolarHBondContact O-N 3.01Å; A191-M194 WeakPolarHBondContact O-CB 3.32Å; A191-M194 PolarHBondContact O-N 3.11Å; A191-V195 WeakPolarHBondContact O-CG2 3.38Å; A191-V195 PolarHBondContact O-N 3.45Å; A191-L237 HydrophobicContact CB-CD1 4.24Å; A191-L237 HydrophobicContact CB-CD2 3.58Å |
| 192 | Y | 93.6 | Very high | 90.8 | Very high | 89 Ų | 89 | 64.6 Ų | 64.6 | 35% | 0.349 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.9 | -48.3 | 172.9 | -86.4 | -65.9 | 0 | 0 | 0 | 111.6 | L188 M194 V195 E196 L237 | L188-Y192 HydrophobicContact CD1-CD2 4.1Å; L188-Y192 HydrophobicContact CD1-CE2 3.69Å; L188-Y192 HydrophobicContact CD2-CE2 4.04Å; L188-Y192 HydrophobicContact CG-CD2 3.83Å; L188-Y192 HydrophobicContact CG-CE2 3.65Å; L188-Y192 WeakPolarHBondContact O-CD2 3.44Å; L188-Y192 PolarHBondContact O-N 3.46Å; Y192-M194 VanDerWaalsContact C-N 3.27Å; Y192-M194 PolarHBondContact O-N 3.13Å; Y192-V195 PolarHBondContact O-N 3.27Å; Y192-V195 VanDerWaalsContact O-N 3.1Å; Y192-E196 WeakPolarHBondContact O-CB 3.47Å; Y192-E196 PolarHBondContact O-N 3.35Å; Y192-L237 HydrophobicContact CD1-CD1 3.53Å; Y192-L237 HydrophobicContact CD2-CD1 4.19Å; Y192-L237 HydrophobicContact CE1-CB 4.01Å; Y192-L237 HydrophobicContact CE1-CD1 3.7Å; Y192-L237 HydrophobicContact CE2-CB 4.24Å; Y192-L237 HydrophobicContact CE2-CD1 4.35Å; Y192-L237 HydrophobicContact CG-CD1 3.78Å |
| 193 | M | 89.9 | Confident | 90.7 | Very high | 95 Ų | 95 | 69.8 Ų | 69.8 | 47% | 0.468 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60 | -39.1 | 176.4 | -69.1 | -170.1 | -65.1 | 0 | 0 | 111.9 | F165 E189 E196 V197 | F165-M193 HydrophobicContact CE1-CB 4.49Å; F165-M193 HydrophobicContact CZ-CB 3.73Å; E189-M193 WeakPolarHBondContact O-CG 3.25Å; E189-M193 PolarHBondContact O-N 3.32Å; E189-M193 VanDerWaalsContact O-N 3.07Å; M193-E196 PolarHBondContact O-N 3.12Å; M193-V197 VanDerWaalsContact O-CB 3.25Å; M193-V197 WeakPolarHBondContact O-CB 3.45Å; M193-V197 VanDerWaalsContact O-CG2 3.29Å; M193-V197 WeakPolarHBondContact O-CG2 3.48Å; M193-V197 PolarHBondContact O-N 3.27Å |
| 194 | M | 92.9 | Very high | 90.7 | Very high | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.02 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 175.7 | -176.7 | -139.8 | 59.5 | 0 | 0 | 111.1 | F165 L168 Q190 A191 Y192 S198 K205 R208 I209 | F165-M194 HydrophobicContact CD1-CB 3.63Å; F165-M194 HydrophobicContact CD1-CG 3.72Å; F165-M194 VanDerWaalsContact CE1-CA 3.46Å; F165-M194 HydrophobicContact CE1-CB 3.57Å; F165-M194 HydrophobicContact CE1-CG 4.21Å; F165-M194 HydrophobicContact CG-CB 4.42Å; F165-M194 HydrophobicContact CG-CG 4.28Å; F165-M194 HydrophobicContact CZ-CB 4.34Å; L168-M194 HydrophobicContact CD1-CE 4.15Å; L168-M194 HydrophobicContact CD1-SD 3.64Å; L168-M194 HydrophobicContact CD2-CB 4.1Å; L168-M194 HydrophobicContact CG-CB 4.49Å; L168-M194 HydrophobicContact CG-SD 3.89Å; Q190-M194 WeakPolarHBondContact O-CB 3.48Å; Q190-M194 PolarHBondContact O-N 3.37Å; A191-M194 WeakPolarHBondContact O-CB 3.32Å; A191-M194 PolarHBondContact O-N 3.11Å; Y192-M194 VanDerWaalsContact C-N 3.27Å; Y192-M194 PolarHBondContact O-N 3.13Å; M194-S198 WeakPolarHBondContact O-CB 3.39Å; M194-S198 PolarHBondContact O-N 2.95Å; M194-S198 VanDerWaalsContact O-N 3.08Å; M194-S198 PolarHBondContact O-OG 3.35Å; M194-K205 HydrophobicContact CE-CB 4.44Å; M194-R208 HydrophobicContact CE-CB 4.43Å; M194-R208 HydrophobicContact SD-CB 3.68Å; M194-R208 HydrophobicContact SD-CG 4.5Å; M194-I209 HydrophobicContact CE-CD1 4.4Å; M194-I209 HydrophobicContact CE-CG1 3.9Å |
| 195 | V | 92.1 | Very high | 90.7 | Very high | 7 Ų | 7 | 66.5 Ų | 66.5 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 178.2 | 170 | 0 | 0 | 0 | 0 | 111 | A191 Y192 K205 I209 P233 E234 L237 | A191-V195 WeakPolarHBondContact O-CG2 3.38Å; A191-V195 PolarHBondContact O-N 3.45Å; Y192-V195 PolarHBondContact O-N 3.27Å; Y192-V195 VanDerWaalsContact O-N 3.1Å; V195-K205 HydrophobicContact CG1-CD 4.38Å; V195-K205 WeakPolarHBondContact O-CE 3.49Å; V195-K205 PolarHBondContact O-NZ 3.49Å; V195-I209 HydrophobicContact CG2-CD1 3.85Å; V195-P233 HydrophobicContact CG1-CB 4.09Å; V195-P233 HydrophobicContact CG2-CB 3.93Å; V195-E234 HydrophobicContact CG1-CG 4.16Å; V195-E234 WeakPolarHBondContact CG1-OE1 3.33Å; V195-L237 HydrophobicContact CB-CD1 4.4Å; V195-L237 HydrophobicContact CG2-CD1 3.86Å |
| 196 | E | 88.6 | Confident | 90.9 | Very high | 161 Ų | 161 | 64.4 Ų | 64.4 | 75% | 0.752 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -70.2 | -48.6 | -178.9 | -173.7 | 178.3 | -177.7 | 0 | 0 | 112.4 | Y192 M193 | Y192-E196 WeakPolarHBondContact O-CB 3.47Å; Y192-E196 PolarHBondContact O-N 3.35Å; M193-E196 PolarHBondContact O-N 3.12Å |
| 197 | V | 86.2 | Confident | 90.9 | Very high | 92 Ų | 92 | 65 Ų | 65 | 56% | 0.558 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -88.8 | -24.7 | -168.3 | 179.7 | 0 | 0 | 0 | 0 | 113 | F165 M193 E199 | F165-V197 HydrophobicContact CD2-CB 4.01Å; F165-V197 HydrophobicContact CD2-CG1 3.96Å; F165-V197 HydrophobicContact CE2-CB 3.65Å; F165-V197 HydrophobicContact CE2-CG1 3.83Å; F165-V197 HydrophobicContact CE2-CG2 4.18Å; M193-V197 VanDerWaalsContact O-CB 3.25Å; M193-V197 WeakPolarHBondContact O-CB 3.45Å; M193-V197 VanDerWaalsContact O-CG2 3.29Å; M193-V197 WeakPolarHBondContact O-CG2 3.48Å; M193-V197 PolarHBondContact O-N 3.27Å; V197-E199 PolarHBondContact O-N 3.14Å |
| 198 | S | 85.1 | Confident | 90.9 | Very high | 7 Ų | 7 | 67.6 Ų | 67.6 | 5% | 0.049 | 33% | 0.329 | C | S | . | . | trans | -75.7 | 130.6 | -177.8 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | M194 C200 K205 | M194-S198 WeakPolarHBondContact O-CB 3.39Å; M194-S198 PolarHBondContact O-N 2.95Å; M194-S198 VanDerWaalsContact O-N 3.08Å; M194-S198 PolarHBondContact O-OG 3.35Å; S198-C200 PolarHBondContact O-N 3.45Å; S198-C200 PolarHBondContact OG-SG 3.17Å; S198-C200 VanDerWaalsContact OG-SG 3.36Å; S198-K205 WeakPolarHBondContact O-CE 3.36Å; S198-K205 PolarHBondContact O-NZ 3.42Å; S198-K205 WeakPolarHBondContact OG-CE 3.41Å | ||
| 199 | E | 83.1 | Confident | 90.9 | Very high | 200 Ų | 200 | 66.8 Ų | 66.8 | 94% | 0.935 | 33% | 0.325 | S | S | * | . | trans | -81 | 5.8 | 178.3 | -60.3 | -176.7 | 161.3 | 0 | 0 | 113.3 | V197 | V197-E199 PolarHBondContact O-N 3.14Š| ||
| 200 | C | 85.8 | Confident | 91.1 | Very high | 28 Ų | 28 | 62.9 Ų | 62.9 | 19% | 0.189 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -77 | 161.8 | -177.6 | 68.5 | 0 | 0 | 0 | 0 | 112.8 | S198 E204 K205 R208 | S198-C200 PolarHBondContact O-N 3.45Å; S198-C200 PolarHBondContact OG-SG 3.17Å; S198-C200 VanDerWaalsContact OG-SG 3.36Å; C200-E204 HydrophobicContact CB-CB 4.02Å; C200-E204 HydrophobicContact CB-CG 3.69Å; C200-K205 WeakPolarHBondContact O-CE 3.38Å; C200-K205 WeakPolarHBondContact SG-CG 3.34Å; C200-R208 PolarHBondContact SG-NH1 3.4Å |
| 201 | S | 91.1 | Very high | 91.2 | Very high | 67 Ų | 67 | 64.4 Ų | 64.4 | 47% | 0.469 | 31% | 0.314 | S | S | . | . | trans | -59.4 | 152.3 | 179.4 | 71.5 | 0 | 0 | 0 | 0 | 112.5 | K203 E204 K205 | S201-K203 PolarHBondContact O-N 2.88Å; S201-K203 VanDerWaalsContact O-N 3.15Å; S201-E204 WeakPolarHBondContact O-CA 3.43Å; S201-E204 WeakPolarHBondContact O-CB 3.49Å; S201-E204 PolarHBondContact O-N 3.05Å; S201-E204 WeakPolarHBondContact OG-CB 3.21Å; S201-E204 PolarHBondContact OG-N 2.85Å; S201-K205 PolarHBondContact O-N 3.43Å | ||
| 202 | P | 91.3 | Very high | 91.3 | Very high | 87 Ų | 87 | 64.5 Ų | 64.5 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -54.1 | -35.7 | 175.2 | -27 | 34.6 | 0 | 0 | 0 | 113.1 | E204 K205 R206 P233 | P202-E204 VanDerWaalsContact C-N 3.31Å; P202-E204 PolarHBondContact O-N 3.14Å; P202-K205 PolarHBondContact O-N 2.71Å; P202-R206 WeakPolarHBondContact O-CB 3.45Å; P202-R206 PolarHBondContact O-N 3.23Å; P202-P233 HydrophobicContact CB-CG 4.11Å; P202-P233 WeakPolarHBondContact O-CG 3.46Å |
| 203 | K | 91.6 | Very high | 91.4 | Very high | 156 Ų | 156 | 60.6 Ų | 60.6 | 68% | 0.678 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.6 | -39.6 | 174.8 | -174.7 | 178 | 178.9 | 179.8 | 0 | 112.2 | S201 R207 | S201-K203 PolarHBondContact O-N 2.88Å; S201-K203 VanDerWaalsContact O-N 3.15Å; K203-R207 WeakPolarHBondContact O-CB 3.28Å; K203-R207 PolarHBondContact O-N 3.45Å |
| 204 | E | 91.5 | Very high | 91.7 | Very high | 27 Ų | 27 | 61.2 Ų | 61.2 | 13% | 0.126 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.6 | -42.8 | 177.6 | 177.2 | 57.8 | -166.4 | 0 | 0 | 111.8 | C200 S201 P202 R206 R207 R208 | C200-E204 HydrophobicContact CB-CB 4.02Å; C200-E204 HydrophobicContact CB-CG 3.69Å; S201-E204 WeakPolarHBondContact O-CA 3.43Å; S201-E204 WeakPolarHBondContact O-CB 3.49Å; S201-E204 PolarHBondContact O-N 3.05Å; S201-E204 WeakPolarHBondContact OG-CB 3.21Å; S201-E204 PolarHBondContact OG-N 2.85Å; P202-E204 VanDerWaalsContact C-N 3.31Å; P202-E204 PolarHBondContact O-N 3.14Å; E204-R206 VanDerWaalsContact C-N 3.32Å; E204-R206 PolarHBondContact O-N 3.18Å; E204-R207 WeakPolarHBondContact O-CB 3.44Å; E204-R207 PolarHBondContact O-N 2.83Å; E204-R207 IonicContact OE1-CZ 3.98Å; E204-R207 IonicContact OE1-NE 3.58Å; E204-R207 IonicContact OE1-NH2 3.46Å; E204-R207 PolarHBondContact OE1-NH2 3.46Å; E204-R207 IonicContact OE2-CZ 3.95Å; E204-R207 IonicContact OE2-NE 2.9Å; E204-R207 PolarHBondContact OE2-NE 3.18Å; E204-R207 IonicContact OE2-NH2 3.18Å; E204-R207 PolarHBondContact OE2-NH2 2.97Å; E204-R208 WeakPolarHBondContact O-CG 3.39Å; E204-R208 PolarHBondContact O-N 2.87Å; E204-R208 IonicContact OE1-CZ 3.15Å; E204-R208 IonicContact OE1-NE 2.62Å; E204-R208 PolarHBondContact OE1-NE 3.28Å; E204-R208 IonicContact OE1-NH2 2.74Å; E204-R208 PolarHBondContact OE1-NH2 3.46Å |
| 205 | K | 93.5 | Very high | 91.8 | Very high | 31 Ų | 31 | 62.6 Ų | 62.6 | 14% | 0.135 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.1 | -49 | 172.1 | -65.3 | -178.5 | -178.5 | -172.9 | 0 | 110.9 | M194 V195 S198 C200 S201 P202 R207 R208 I209 P233 | M194-K205 HydrophobicContact CE-CB 4.44Å; V195-K205 HydrophobicContact CG1-CD 4.38Å; V195-K205 WeakPolarHBondContact O-CE 3.49Å; V195-K205 PolarHBondContact O-NZ 3.49Å; S198-K205 WeakPolarHBondContact O-CE 3.36Å; S198-K205 PolarHBondContact O-NZ 3.42Å; S198-K205 WeakPolarHBondContact OG-CE 3.41Å; C200-K205 WeakPolarHBondContact O-CE 3.38Å; C200-K205 WeakPolarHBondContact SG-CG 3.34Å; S201-K205 PolarHBondContact O-N 3.43Å; P202-K205 PolarHBondContact O-N 2.71Å; K205-R207 PolarHBondContact O-N 3.36Å; K205-R208 PolarHBondContact O-N 3.23Å; K205-I209 WeakPolarHBondContact O-CG1 3.38Å; K205-I209 PolarHBondContact O-N 3.24Å; K205-P233 HydrophobicContact CB-CB 3.96Å; K205-P233 HydrophobicContact CB-CG 3.68Å; K205-P233 HydrophobicContact CD-CG 4.4Å |
| 206 | R | 93.4 | Very high | 92 | Very high | 25 Ų | 25 | 64.7 Ų | 64.7 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 176.5 | -174.6 | 172.9 | 66.7 | 175.7 | 4.7 | 112.6 | P202 E204 I209 M210 P229 V231 P233 | P202-R206 WeakPolarHBondContact O-CB 3.45Å; P202-R206 PolarHBondContact O-N 3.23Å; E204-R206 VanDerWaalsContact C-N 3.32Å; E204-R206 PolarHBondContact O-N 3.18Å; R206-I209 PolarHBondContact O-N 2.89Å; R206-M210 HydrophobicContact CG-CE 4.25Å; R206-M210 WeakPolarHBondContact O-CG 3.28Å; R206-M210 PolarHBondContact O-N 3.47Å; R206-P229 PolarHBondContact NH1-O 3.4Å; R206-P229 PolarHBondContact NH2-O 3.43Å; R206-V231 WeakPolarHBondContact CD-O 3.44Å; R206-V231 PolarHBondContact NH1-O 3.32Å; R206-V231 VanDerWaalsContact NH1-O 3.07Å; R206-P233 HydrophobicContact CB-CG 4.5Å |
| 207 | R | 92.1 | Very high | 92.4 | Very high | 98 Ų | 98 | 57 Ų | 57 | 37% | 0.37 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 175.1 | -176.2 | 179.1 | 67.8 | 101.6 | -11.6 | 111.2 | K203 E204 K205 I209 M210 E211 | K203-R207 WeakPolarHBondContact O-CB 3.28Å; K203-R207 PolarHBondContact O-N 3.45Å; E204-R207 WeakPolarHBondContact O-CB 3.44Å; E204-R207 PolarHBondContact O-N 2.83Å; E204-R207 IonicContact OE1-CZ 3.98Å; E204-R207 IonicContact OE1-NE 3.58Å; E204-R207 IonicContact OE1-NH2 3.46Å; E204-R207 PolarHBondContact OE1-NH2 3.46Å; E204-R207 IonicContact OE2-CZ 3.95Å; E204-R207 IonicContact OE2-NE 2.9Å; E204-R207 PolarHBondContact OE2-NE 3.18Å; E204-R207 IonicContact OE2-NH2 3.18Å; E204-R207 PolarHBondContact OE2-NH2 2.97Å; K205-R207 PolarHBondContact O-N 3.36Å; R207-I209 PolarHBondContact O-N 3.4Å; R207-M210 PolarHBondContact O-N 3Å; R207-E211 HydrophobicContact CG-CG 4.29Å; R207-E211 WeakPolarHBondContact CG-OE1 3.49Å; R207-E211 IonicContact CZ-OE1 3.88Å; R207-E211 IonicContact NE-OE1 3.53Å; R207-E211 IonicContact NH1-OE1 2.76Å; R207-E211 PolarHBondContact NH1-OE1 3.02Å; R207-E211 IonicContact NH1-OE2 3.13Å; R207-E211 WeakPolarHBondContact O-CB 3.5Å; R207-E211 WeakPolarHBondContact O-CG 3.38Å; R207-E211 PolarHBondContact O-N 2.79Å |
| 208 | R | 94.1 | Very high | 92.9 | Very high | 53 Ų | 53 | 54.6 Ų | 54.6 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 179.3 | -69.9 | 175 | -172.3 | 166.2 | 0.2 | 112.9 | M194 C200 E204 K205 E211 S212 | M194-R208 HydrophobicContact CE-CB 4.43Å; M194-R208 HydrophobicContact SD-CB 3.68Å; M194-R208 HydrophobicContact SD-CG 4.5Å; C200-R208 PolarHBondContact SG-NH1 3.4Å; E204-R208 WeakPolarHBondContact O-CG 3.39Å; E204-R208 PolarHBondContact O-N 2.87Å; E204-R208 IonicContact OE1-CZ 3.15Å; E204-R208 IonicContact OE1-NE 2.62Å; E204-R208 PolarHBondContact OE1-NE 3.28Å; E204-R208 IonicContact OE1-NH2 2.74Å; E204-R208 PolarHBondContact OE1-NH2 3.46Å; K205-R208 PolarHBondContact O-N 3.23Å; R208-E211 PolarHBondContact O-N 3.27Å; R208-S212 PolarHBondContact O-N 2.84Å |
| 209 | I | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.6 | -57.8 | 171.4 | -68.1 | 166.7 | 0 | 0 | 0 | 108.7 | W187 M194 V195 K205 R206 R207 E211 S212 L213 P233 L237 L240 | W187-I209 HydrophobicContact CH2-CG2 4.16Å; W187-I209 HydrophobicContact CZ2-CG2 4.43Å; M194-I209 HydrophobicContact CE-CD1 4.4Å; M194-I209 HydrophobicContact CE-CG1 3.9Å; V195-I209 HydrophobicContact CG2-CD1 3.85Å; K205-I209 WeakPolarHBondContact O-CG1 3.38Å; K205-I209 PolarHBondContact O-N 3.24Å; R206-I209 PolarHBondContact O-N 2.89Å; R207-I209 PolarHBondContact O-N 3.4Å; I209-E211 VanDerWaalsContact C-N 3.34Å; I209-E211 PolarHBondContact O-N 3.21Å; I209-S212 PolarHBondContact O-N 3.49Å; I209-S212 PolarHBondContact O-OG 3.44Å; I209-L213 HydrophobicContact CG2-CD1 4.03Å; I209-L213 WeakPolarHBondContact O-CG 2.85Å; I209-L213 PolarHBondContact O-N 3.12Å; I209-P233 HydrophobicContact CD1-CB 3.99Å; I209-L237 HydrophobicContact CD1-CD2 3.93Å; I209-L237 HydrophobicContact CD1-CG 4.15Å; I209-L237 HydrophobicContact CG1-CD2 4.27Å; I209-L237 HydrophobicContact CG2-CD2 4.4Å; I209-L240 HydrophobicContact CG2-CD1 4.42Å |
| 210 | M | 94.6 | Very high | 94 | Very high | 37 Ų | 37 | 52.8 Ų | 52.8 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.8 | -39.3 | -178.4 | -69.5 | -174.4 | -60.9 | 0 | 0 | 114 | R206 R207 S212 L213 I221 R225 | R206-M210 HydrophobicContact CG-CE 4.25Å; R206-M210 WeakPolarHBondContact O-CG 3.28Å; R206-M210 PolarHBondContact O-N 3.47Å; R207-M210 PolarHBondContact O-N 3Å; M210-S212 PolarHBondContact O-N 3.08Å; M210-L213 PolarHBondContact O-N 3.47Å; M210-L213 VanDerWaalsContact O-N 3.13Å; M210-I221 HydrophobicContact CG-CG2 3.84Å; M210-I221 HydrophobicContact SD-CG2 4.28Å; M210-R225 VanDerWaalsContact SD-CD 3.59Å; M210-R225 PolarHBondContact SD-NH1 3.19Å |
| 211 | E | 94.6 | Very high | 94.5 | Very high | 88 Ų | 88 | 51.4 Ų | 51.4 | 41% | 0.411 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.7 | -20 | 178.5 | -77.5 | 178.8 | -176.5 | 0 | 0 | 113.8 | R207 R208 I209 | R207-E211 HydrophobicContact CG-CG 4.29Å; R207-E211 WeakPolarHBondContact CG-OE1 3.49Å; R207-E211 IonicContact CZ-OE1 3.88Å; R207-E211 IonicContact NE-OE1 3.53Å; R207-E211 IonicContact NH1-OE1 2.76Å; R207-E211 PolarHBondContact NH1-OE1 3.02Å; R207-E211 IonicContact NH1-OE2 3.13Å; R207-E211 WeakPolarHBondContact O-CB 3.5Å; R207-E211 WeakPolarHBondContact O-CG 3.38Å; R207-E211 PolarHBondContact O-N 2.79Å; R208-E211 PolarHBondContact O-N 3.27Å; I209-E211 VanDerWaalsContact C-N 3.34Å; I209-E211 PolarHBondContact O-N 3.21Å |
| 212 | S | 96.2 | Very high | 94.7 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -89.9 | -13 | 175.7 | 77.8 | 0 | 0 | 0 | 0 | 112.8 | R169 T170 F171 W187 R208 I209 M210 | R169-S212 WeakPolarHBondContact O-CB 3.47Å; T170-S212 CarbonylContact C-O 3.54Å; T170-S212 WeakPolarHBondContact CA-O 3.45Å; F171-S212 PolarHBondContact N-O 3.16Å; W187-S212 VanDerWaalsContact CZ2-OG 3.24Å; W187-S212 WeakPolarHBondContact CZ2-OG 3.44Å; W187-S212 PolarHBondContact NE1-OG 2.99Å; R208-S212 PolarHBondContact O-N 2.84Å; I209-S212 PolarHBondContact O-N 3.49Å; I209-S212 PolarHBondContact O-OG 3.44Å; M210-S212 PolarHBondContact O-N 3.08Å |
| 213 | L | 96.9 | Very high | 94.8 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -92.8 | 147.2 | -178.2 | -61 | 173.9 | 0 | 0 | 0 | 112.5 | F171 W187 I209 M210 A217 L218 I221 L240 | F171-L213 HydrophobicContact CB-CD2 4.43Å; F171-L213 HydrophobicContact CD1-CD2 3.74Å; F171-L213 CarbonylContact O-C 3.51Å; F171-L213 WeakPolarHBondContact O-CA 3.45Å; W187-L213 HydrophobicContact CH2-CD2 3.66Å; W187-L213 HydrophobicContact CH2-CG 4.44Å; W187-L213 HydrophobicContact CZ2-CD2 3.45Å; W187-L213 VanDerWaalsContact CZ2-CD2 3.45Å; W187-L213 HydrophobicContact CZ2-CG 4.14Å; W187-L213 HydrophobicContact CZ3-CD2 4.35Å; I209-L213 HydrophobicContact CG2-CD1 4.03Å; I209-L213 WeakPolarHBondContact O-CG 2.85Å; I209-L213 PolarHBondContact O-N 3.12Å; M210-L213 PolarHBondContact O-N 3.47Å; M210-L213 VanDerWaalsContact O-N 3.13Å; L213-A217 HydrophobicContact CD2-CB 3.96Å; L213-L218 HydrophobicContact CB-CB 3.95Å; L213-L218 HydrophobicContact CB-CD1 4.15Å; L213-I221 HydrophobicContact CD1-CB 4.23Å; L213-I221 HydrophobicContact CD1-CG1 3.51Å; L213-L240 HydrophobicContact CD1-CD1 3.82Å; L213-L240 HydrophobicContact CD1-CD2 4.36Å; L213-L240 HydrophobicContact CD2-CD1 4.11Å; L213-L240 HydrophobicContact CD2-CD2 4.49Å |
| 214 | K | 95.7 | Very high | 95 | Very high | 109 Ų | 109 | 46.9 Ų | 46.9 | 47% | 0.474 | 24% | 0.237 | S | C | . | . | trans | -138.2 | 172.2 | 171.4 | -70 | -172.1 | -174.5 | 169.4 | 0 | 110.9 | T170 F171 S172 A217 L218 | T170-K214 HydrophobicContact CG2-CB 4.39Å; T170-K214 HydrophobicContact CG2-CD 3.56Å; T170-K214 HydrophobicContact CG2-CG 3.77Å; F171-K214 PolarHBondContact O-N 2.99Å; S172-K214 CarbonylContact C-O 3.56Å; S172-K214 VanDerWaalsContact CA-O 3.27Å; S172-K214 WeakPolarHBondContact CA-O 3.47Å; S172-K214 VanDerWaalsContact O-O 3.06Å; K214-A217 PolarHBondContact O-N 2.84Å; K214-L218 PolarHBondContact O-N 3.19Å; K214-L218 VanDerWaalsContact O-N 3.15Å | ||
| 215 | G | 95.6 | Very high | 95 | Very high | 33 Ų | 33 | 49.9 Ų | 49.9 | 34% | 0.34 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | 51.3 | -140.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A217 L218 E219 | G215-A217 PolarHBondContact O-N 3.2Å; G215-L218 PolarHBondContact O-N 3.01Å; G215-L218 VanDerWaalsContact O-N 3.16Å; G215-E219 PolarHBondContact O-N 3.15Å |
| 216 | P | 95.9 | Very high | 95 | Very high | 51 Ų | 51 | 55.6 Ų | 55.6 | 33% | 0.331 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -49.7 | -39.6 | 176.2 | -30.2 | 34.3 | 0 | 0 | 0 | 114.4 | S172 I174 L218 E219 V220 F244 | S172-P216 WeakPolarHBondContact O-CD 3.04Å; I174-P216 HydrophobicContact CG1-CG 4.36Å; P216-L218 PolarHBondContact O-N 3.14Å; P216-E219 WeakPolarHBondContact O-CB 3.46Å; P216-E219 PolarHBondContact O-N 3.1Å; P216-V220 PolarHBondContact O-N 2.63Å; P216-V220 VanDerWaalsContact O-N 3.13Å; P216-F244 HydrophobicContact CB-CE1 4.09Å; P216-F244 HydrophobicContact CB-CZ 3.87Å |
| 217 | A | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.5 | -38.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F171 S172 L213 K214 G215 L240 F244 | F171-A217 HydrophobicContact CD1-CB 3.6Å; F171-A217 HydrophobicContact CE1-CB 3.42Å; F171-A217 VanDerWaalsContact CE1-CB 3.42Å; F171-A217 HydrophobicContact CZ-CB 4.33Å; S172-A217 PolarHBondContact O-N 3.24Å; S172-A217 VanDerWaalsContact O-N 3.11Å; L213-A217 HydrophobicContact CD2-CB 3.96Å; K214-A217 PolarHBondContact O-N 2.84Å; G215-A217 PolarHBondContact O-N 3.2Å; A217-L240 HydrophobicContact CB-CD2 4.24Å; A217-F244 HydrophobicContact CB-CE2 3.92Å; A217-F244 HydrophobicContact CB-CZ 4.05Å |
| 218 | L | 96.6 | Very high | 95.1 | Very high | 40 Ų | 40 | 58.1 Ų | 58.1 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.4 | -33.3 | 174.8 | -178.5 | 61.6 | 0 | 0 | 0 | 112.1 | L213 K214 G215 P216 I221 K222 | L213-L218 HydrophobicContact CB-CB 3.95Å; L213-L218 HydrophobicContact CB-CD1 4.15Å; K214-L218 PolarHBondContact O-N 3.19Å; K214-L218 VanDerWaalsContact O-N 3.15Å; G215-L218 PolarHBondContact O-N 3.01Å; G215-L218 VanDerWaalsContact O-N 3.16Å; P216-L218 PolarHBondContact O-N 3.14Å; L218-I221 PolarHBondContact O-N 2.83Å; L218-K222 HydrophobicContact CG-CD 4.28Å; L218-K222 WeakPolarHBondContact O-CG 3.37Å; L218-K222 PolarHBondContact O-N 3.28Å |
| 219 | E | 96.4 | Very high | 94.9 | Very high | 129 Ų | 129 | 59.3 Ų | 59.3 | 60% | 0.603 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.3 | -41.2 | 178 | -70.6 | 172.9 | -173.9 | 0 | 0 | 111.9 | G215 P216 K222 A223 | G215-E219 PolarHBondContact O-N 3.15Å; P216-E219 WeakPolarHBondContact O-CB 3.46Å; P216-E219 PolarHBondContact O-N 3.1Å; E219-K222 PolarHBondContact O-N 3.12Å; E219-A223 PolarHBondContact O-N 2.85Å |
| 220 | V | 96.1 | Very high | 94.6 | Very high | 40 Ų | 40 | 65.9 Ų | 65.9 | 24% | 0.242 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.1 | -52.3 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 111 | P216 K222 A223 V224 A243 F244 | P216-V220 PolarHBondContact O-N 2.63Å; P216-V220 VanDerWaalsContact O-N 3.13Å; V220-K222 VanDerWaalsContact C-N 3.32Å; V220-K222 PolarHBondContact O-N 3.14Å; V220-A223 WeakPolarHBondContact O-CB 3.45Å; V220-A223 PolarHBondContact O-N 2.65Å; V220-A223 VanDerWaalsContact O-N 3.11Å; V220-V224 WeakPolarHBondContact O-CG2 3.36Å; V220-V224 PolarHBondContact O-N 3.18Å; V220-A243 HydrophobicContact CG1-CB 4.06Å; V220-A243 HydrophobicContact CG2-CB 4Å; V220-F244 HydrophobicContact CB-CE2 4.39Å; V220-F244 HydrophobicContact CG2-CE2 3.82Å; V220-F244 HydrophobicContact CG2-CZ 4.13Å |
| 221 | I | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.1 | -36.1 | -179.8 | -64.8 | -55.2 | 0 | 0 | 0 | 112.2 | M210 L213 L218 A223 V224 R225 C236 A239 L240 | M210-I221 HydrophobicContact CG-CG2 3.84Å; M210-I221 HydrophobicContact SD-CG2 4.28Å; L213-I221 HydrophobicContact CD1-CB 4.23Å; L213-I221 HydrophobicContact CD1-CG1 3.51Å; L218-I221 PolarHBondContact O-N 2.83Å; I221-A223 VanDerWaalsContact C-N 3.32Å; I221-A223 PolarHBondContact O-N 3.2Å; I221-V224 PolarHBondContact O-N 3.25Å; I221-R225 HydrophobicContact CG2-CG 4.35Å; I221-R225 WeakPolarHBondContact O-CB 3.02Å; I221-R225 VanDerWaalsContact O-CG 3.32Å; I221-R225 WeakPolarHBondContact O-CG 3.42Å; I221-R225 PolarHBondContact O-N 2.6Å; I221-C236 HydrophobicContact CD1-CB 3.84Å; I221-C236 VanDerWaalsContact CD1-O 3.3Å; I221-C236 WeakPolarHBondContact CD1-O 3.36Å; I221-A239 HydrophobicContact CD1-CB 4.48Å; I221-L240 HydrophobicContact CD1-CD1 3.92Å; I221-L240 HydrophobicContact CD1-CD2 4.24Å; I221-L240 HydrophobicContact CD1-CG 3.72Å; I221-L240 HydrophobicContact CG1-CD1 3.99Å; I221-L240 HydrophobicContact CG1-CD2 4.06Å; I221-L240 HydrophobicContact CG1-CG 4.01Å |
| 222 | K | 94.4 | Very high | 94.6 | Very high | 120 Ų | 120 | 61.7 Ų | 61.7 | 52% | 0.522 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 173.4 | -77.1 | 175.1 | 176.7 | 176.7 | 0 | 111.5 | L218 E219 V220 R225 L226 | L218-K222 HydrophobicContact CG-CD 4.28Å; L218-K222 WeakPolarHBondContact O-CG 3.37Å; L218-K222 PolarHBondContact O-N 3.28Å; E219-K222 PolarHBondContact O-N 3.12Å; V220-K222 VanDerWaalsContact C-N 3.32Å; V220-K222 PolarHBondContact O-N 3.14Å; K222-R225 PolarHBondContact O-N 3.23Å; K222-L226 WeakPolarHBondContact O-CG 3.43Å; K222-L226 PolarHBondContact O-N 3.11Å |
| 223 | A | 94.8 | Very high | 94.6 | Very high | 54 Ų | 54 | 61.7 Ų | 61.7 | 45% | 0.446 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E219 V220 I221 R225 L226 S227 | E219-A223 PolarHBondContact O-N 2.85Å; V220-A223 WeakPolarHBondContact O-CB 3.45Å; V220-A223 PolarHBondContact O-N 2.65Å; V220-A223 VanDerWaalsContact O-N 3.11Å; I221-A223 VanDerWaalsContact C-N 3.32Å; I221-A223 PolarHBondContact O-N 3.2Å; A223-R225 VanDerWaalsContact C-N 3.33Å; A223-R225 PolarHBondContact O-N 3.49Å; A223-L226 PolarHBondContact O-N 2.86Å; A223-S227 PolarHBondContact O-N 2.89Å; A223-S227 PolarHBondContact O-OG 3.28Å |
| 224 | V | 94.4 | Very high | 94.5 | Very high | 40 Ų | 40 | 65.2 Ų | 65.2 | 24% | 0.242 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.3 | -47.6 | 174 | 175.4 | 0 | 0 | 0 | 0 | 110.3 | V220 I221 L226 S227 D228 V231 A239 | V220-V224 WeakPolarHBondContact O-CG2 3.36Å; V220-V224 PolarHBondContact O-N 3.18Å; I221-V224 PolarHBondContact O-N 3.25Å; V224-L226 VanDerWaalsContact C-N 3.3Å; V224-L226 PolarHBondContact O-N 2.78Å; V224-S227 WeakPolarHBondContact O-CB 3.25Å; V224-S227 PolarHBondContact O-N 2.81Å; V224-D228 PolarHBondContact O-N 3.16Å; V224-V231 HydrophobicContact CG1-CB 4.34Å; V224-V231 HydrophobicContact CG1-CG1 4.45Å; V224-V231 HydrophobicContact CG1-CG2 3.8Å; V224-A239 HydrophobicContact CG2-CB 3.79Å |
| 225 | R | 93 | Very high | 94.5 | Very high | 90 Ų | 90 | 64.3 Ų | 64.3 | 34% | 0.34 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.8 | -25.1 | -179.9 | -73.3 | -172.7 | 69.9 | -145.1 | -7.6 | 115.2 | M210 I221 K222 A223 S227 D228 V231 | M210-R225 VanDerWaalsContact SD-CD 3.59Å; M210-R225 PolarHBondContact SD-NH1 3.19Å; I221-R225 HydrophobicContact CG2-CG 4.35Å; I221-R225 WeakPolarHBondContact O-CB 3.02Å; I221-R225 VanDerWaalsContact O-CG 3.32Å; I221-R225 WeakPolarHBondContact O-CG 3.42Å; I221-R225 PolarHBondContact O-N 2.6Å; K222-R225 PolarHBondContact O-N 3.23Å; A223-R225 VanDerWaalsContact C-N 3.33Å; A223-R225 PolarHBondContact O-N 3.49Å; R225-S227 VanDerWaalsContact C-N 3.27Å; R225-D228 WeakPolarHBondContact CA-O 3.32Å; R225-D228 CarbonylContact O-C 3.39Å; R225-V231 HydrophobicContact CG-CG1 3.64Å |
| 226 | L | 93.3 | Very high | 94.5 | Very high | 151 Ų | 151 | 62.8 Ų | 62.8 | 79% | 0.791 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.8 | -30.5 | 172.8 | -75.8 | 170.5 | 0 | 0 | 0 | 111.5 | K222 A223 V224 | K222-L226 WeakPolarHBondContact O-CG 3.43Å; K222-L226 PolarHBondContact O-N 3.11Å; A223-L226 PolarHBondContact O-N 2.86Å; V224-L226 VanDerWaalsContact C-N 3.3Å; V224-L226 PolarHBondContact O-N 2.78Å |
| 227 | S | 93.4 | Very high | 94.5 | Very high | 109 Ų | 109 | 60.3 Ų | 60.3 | 76% | 0.762 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -84.1 | -39.3 | 177.4 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | A223 V224 R225 | A223-S227 PolarHBondContact O-N 2.89Å; A223-S227 PolarHBondContact O-OG 3.28Å; V224-S227 WeakPolarHBondContact O-CB 3.25Å; V224-S227 PolarHBondContact O-N 2.81Å; R225-S227 VanDerWaalsContact C-N 3.27Å |
| 228 | D | 92.9 | Very high | 94.3 | Very high | 67 Ų | 67 | 66.1 Ų | 66.1 | 36% | 0.358 | 35% | 0.353 | S | S | . | . | trans | -134.6 | 102.5 | 177.4 | -175.8 | -3.3 | 0 | 0 | 0 | 111.9 | V224 R225 D230 V231 | V224-D228 PolarHBondContact O-N 3.16Å; R225-D228 WeakPolarHBondContact CA-O 3.32Å; R225-D228 CarbonylContact O-C 3.39Å; D228-D230 PolarHBondContact O-N 3.17Å; D228-D230 PolarHBondContact OD1-N 3.09Å; D228-V231 HydrophobicContact CB-CB 4.36Å; D228-V231 PolarHBondContact O-N 2.98Å; D228-V231 PolarHBondContact OD1-N 3.04Å | ||
| 229 | P | 90.1 | Very high | 94.2 | Very high | 79 Ų | 79 | 65.3 Ų | 65.3 | 51% | 0.513 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.4 | 178.6 | -23.9 | 35.2 | 0 | 0 | 0 | 114.8 | R206 | R206-P229 PolarHBondContact NH1-O 3.4Å; R206-P229 PolarHBondContact NH2-O 3.43Å |
| 230 | D | 89.9 | Confident | 94.2 | Very high | 138 Ų | 138 | 59.2 Ų | 59.2 | 74% | 0.738 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | 10.7 | -173.3 | -70.3 | -35.7 | 0 | 0 | 0 | 113.4 | D228 S232 | D228-D230 PolarHBondContact O-N 3.17Å; D228-D230 PolarHBondContact OD1-N 3.09Å; D230-S232 PolarHBondContact O-N 3.07Å |
| 231 | V | 94.3 | Very high | 94 | Very high | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | trans | -41.1 | 132.8 | 173.9 | 66.6 | 0 | 0 | 0 | 0 | 112.5 | R206 V224 R225 D228 E235 | R206-V231 WeakPolarHBondContact CD-O 3.44Å; R206-V231 PolarHBondContact NH1-O 3.32Å; R206-V231 VanDerWaalsContact NH1-O 3.07Å; V224-V231 HydrophobicContact CG1-CB 4.34Å; V224-V231 HydrophobicContact CG1-CG1 4.45Å; V224-V231 HydrophobicContact CG1-CG2 3.8Å; R225-V231 HydrophobicContact CG-CG1 3.64Å; D228-V231 HydrophobicContact CB-CB 4.36Å; D228-V231 PolarHBondContact O-N 2.98Å; D228-V231 PolarHBondContact OD1-N 3.04Å; V231-E235 HydrophobicContact CG2-CB 3.53Å; V231-E235 WeakPolarHBondContact CG2-OE2 3.41Å | ||
| 232 | S | 95.2 | Very high | 93.8 | Very high | 32 Ų | 32 | 64.6 Ų | 64.6 | 22% | 0.224 | 36% | 0.359 | C | S | . | . | trans | -72.8 | 158.2 | -177.7 | 101.8 | 0 | 0 | 0 | 0 | 111.6 | D230 E234 E235 C236 | D230-S232 PolarHBondContact O-N 3.07Å; S232-E234 WeakPolarHBondContact CB-OE2 3.13Å; S232-E234 PolarHBondContact O-N 3.38Å; S232-E234 PolarHBondContact OG-N 3.49Å; S232-E234 VanDerWaalsContact OG-N 3.17Å; S232-E234 PolarHBondContact OG-OE2 2.85Å; S232-E235 PolarHBondContact N-OE2 3.32Å; S232-E235 PolarHBondContact O-N 2.54Å; S232-E235 PolarHBondContact OG-N 2.86Å; S232-E235 VanDerWaalsContact OG-N 3.11Å; S232-C236 PolarHBondContact O-N 3.19Å; S232-C236 PolarHBondContact O-SG 3.25Å | ||
| 233 | P | 95.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.019 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.9 | -38 | 171.4 | -24.7 | 35.1 | 0 | 0 | 0 | 113.2 | V195 P202 K205 R206 I209 C236 L237 | V195-P233 HydrophobicContact CG1-CB 4.09Å; V195-P233 HydrophobicContact CG2-CB 3.93Å; P202-P233 HydrophobicContact CB-CG 4.11Å; P202-P233 WeakPolarHBondContact O-CG 3.46Å; K205-P233 HydrophobicContact CB-CB 3.96Å; K205-P233 HydrophobicContact CB-CG 3.68Å; K205-P233 HydrophobicContact CD-CG 4.4Å; R206-P233 HydrophobicContact CB-CG 4.5Å; I209-P233 HydrophobicContact CD1-CB 3.99Å; P233-C236 WeakPolarHBondContact O-CB 3.36Å; P233-C236 PolarHBondContact O-N 3.33Å; P233-L237 WeakPolarHBondContact O-CG 3.46Å; P233-L237 PolarHBondContact O-N 3.47Å |
| 234 | E | 95.3 | Very high | 93.6 | Very high | 80 Ų | 80 | 61.2 Ų | 61.2 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.5 | -48 | 179.9 | -57.5 | 71.9 | -154.6 | 0 | 0 | 110.7 | V195 S232 C236 L237 E238 | V195-E234 HydrophobicContact CG1-CG 4.16Å; V195-E234 WeakPolarHBondContact CG1-OE1 3.33Å; S232-E234 WeakPolarHBondContact CB-OE2 3.13Å; S232-E234 PolarHBondContact O-N 3.38Å; S232-E234 PolarHBondContact OG-N 3.49Å; S232-E234 VanDerWaalsContact OG-N 3.17Å; S232-E234 PolarHBondContact OG-OE2 2.85Å; E234-C236 PolarHBondContact O-N 3.3Å; E234-L237 WeakPolarHBondContact O-CA 3.44Å; E234-L237 WeakPolarHBondContact O-CB 3.45Å; E234-L237 PolarHBondContact O-N 2.96Å; E234-E238 PolarHBondContact O-N 3.4Å |
| 235 | E | 94.6 | Very high | 93.3 | Very high | 90 Ų | 90 | 60.2 Ų | 60.2 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61 | -31.8 | 175.6 | -68.7 | 170.6 | 157.6 | 0 | 0 | 112 | V231 S232 A239 | V231-E235 HydrophobicContact CG2-CB 3.53Å; V231-E235 WeakPolarHBondContact CG2-OE2 3.41Å; S232-E235 PolarHBondContact N-OE2 3.32Å; S232-E235 PolarHBondContact O-N 2.54Å; S232-E235 PolarHBondContact OG-N 2.86Å; S232-E235 VanDerWaalsContact OG-N 3.11Å; E235-A239 WeakPolarHBondContact O-CB 3.28Å; E235-A239 PolarHBondContact O-N 3.14Å |
| 236 | C | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 171.1 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | I221 S232 P233 E234 L240 | I221-C236 HydrophobicContact CD1-CB 3.84Å; I221-C236 VanDerWaalsContact CD1-O 3.3Å; I221-C236 WeakPolarHBondContact CD1-O 3.36Å; S232-C236 PolarHBondContact O-N 3.19Å; S232-C236 PolarHBondContact O-SG 3.25Å; P233-C236 WeakPolarHBondContact O-CB 3.36Å; P233-C236 PolarHBondContact O-N 3.33Å; E234-C236 PolarHBondContact O-N 3.3Å; C236-L240 WeakPolarHBondContact O-CG 3.46Å; C236-L240 PolarHBondContact O-N 3.11Å; C236-L240 VanDerWaalsContact O-N 3.16Å |
| 237 | L | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 178.4 | -62.5 | -176.8 | 0 | 0 | 0 | 111.6 | W187 L188 A191 Y192 V195 I209 P233 E234 L240 D241 | W187-L237 HydrophobicContact CH2-CD2 3.98Å; W187-L237 HydrophobicContact CZ3-CD2 4.18Å; L188-L237 HydrophobicContact CD1-CB 4.24Å; L188-L237 HydrophobicContact CD1-CD2 4.36Å; A191-L237 HydrophobicContact CB-CD1 4.24Å; A191-L237 HydrophobicContact CB-CD2 3.58Å; Y192-L237 HydrophobicContact CD1-CD1 3.53Å; Y192-L237 HydrophobicContact CD2-CD1 4.19Å; Y192-L237 HydrophobicContact CE1-CB 4.01Å; Y192-L237 HydrophobicContact CE1-CD1 3.7Å; Y192-L237 HydrophobicContact CE2-CB 4.24Å; Y192-L237 HydrophobicContact CE2-CD1 4.35Å; Y192-L237 HydrophobicContact CG-CD1 3.78Å; V195-L237 HydrophobicContact CB-CD1 4.4Å; V195-L237 HydrophobicContact CG2-CD1 3.86Å; I209-L237 HydrophobicContact CD1-CD2 3.93Å; I209-L237 HydrophobicContact CD1-CG 4.15Å; I209-L237 HydrophobicContact CG1-CD2 4.27Å; I209-L237 HydrophobicContact CG2-CD2 4.4Å; P233-L237 WeakPolarHBondContact O-CG 3.46Å; P233-L237 PolarHBondContact O-N 3.47Å; E234-L237 WeakPolarHBondContact O-CA 3.44Å; E234-L237 WeakPolarHBondContact O-CB 3.45Å; E234-L237 PolarHBondContact O-N 2.96Å; L237-L240 PolarHBondContact O-N 2.74Å; L237-D241 PolarHBondContact O-N 3.18Å |
| 238 | E | 93.5 | Very high | 91.9 | Very high | 122 Ų | 122 | 57 Ų | 57 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.4 | -42.9 | 174.4 | -71.3 | 178.9 | -173.8 | 0 | 0 | 111.9 | E234 L240 D241 S242 | E234-E238 PolarHBondContact O-N 3.4Å; E238-L240 VanDerWaalsContact C-N 3.27Å; E238-L240 PolarHBondContact O-N 3.49Å; E238-D241 PolarHBondContact O-N 3.3Å; E238-S242 WeakPolarHBondContact O-CB 3.44Å; E238-S242 PolarHBondContact O-N 2.92Å |
| 239 | A | 94.9 | Very high | 91.9 | Very high | 23 Ų | 23 | 56.2 Ų | 56.2 | 19% | 0.19 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62 | -36.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I221 V224 E235 A243 | I221-A239 HydrophobicContact CD1-CB 4.48Å; V224-A239 HydrophobicContact CG2-CB 3.79Å; E235-A239 WeakPolarHBondContact O-CB 3.28Å; E235-A239 PolarHBondContact O-N 3.14Å; A239-A243 WeakPolarHBondContact O-CB 3.3Å; A239-A243 PolarHBondContact O-N 3.04Å; A239-A243 VanDerWaalsContact O-N 3.12Å |
| 240 | L | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72 | -40.6 | 175.1 | -72.4 | 165.3 | 0 | 0 | 0 | 112.3 | F184 W187 I209 L213 A217 I221 C236 L237 E238 S242 A243 F244 | F184-L240 HydrophobicContact CE2-CB 4.16Å; F184-L240 HydrophobicContact CZ-CB 4.45Å; F184-L240 WeakPolarHBondContact CZ-O 3.47Å; W187-L240 HydrophobicContact CH2-CD1 3.52Å; W187-L240 HydrophobicContact CZ3-CD1 3.72Å; I209-L240 HydrophobicContact CG2-CD1 4.42Å; L213-L240 HydrophobicContact CD1-CD1 3.82Å; L213-L240 HydrophobicContact CD1-CD2 4.36Å; L213-L240 HydrophobicContact CD2-CD1 4.11Å; L213-L240 HydrophobicContact CD2-CD2 4.49Å; A217-L240 HydrophobicContact CB-CD2 4.24Å; I221-L240 HydrophobicContact CD1-CD1 3.92Å; I221-L240 HydrophobicContact CD1-CD2 4.24Å; I221-L240 HydrophobicContact CD1-CG 3.72Å; I221-L240 HydrophobicContact CG1-CD1 3.99Å; I221-L240 HydrophobicContact CG1-CD2 4.06Å; I221-L240 HydrophobicContact CG1-CG 4.01Å; C236-L240 WeakPolarHBondContact O-CG 3.46Å; C236-L240 PolarHBondContact O-N 3.11Å; C236-L240 VanDerWaalsContact O-N 3.16Å; L237-L240 PolarHBondContact O-N 2.74Å; E238-L240 VanDerWaalsContact C-N 3.27Å; E238-L240 PolarHBondContact O-N 3.49Å; L240-S242 VanDerWaalsContact C-N 3.3Å; L240-S242 PolarHBondContact O-N 2.84Å; L240-A243 PolarHBondContact O-N 3.48Å; L240-A243 VanDerWaalsContact O-N 3.16Å; L240-F244 HydrophobicContact CD2-CD2 3.99Å; L240-F244 HydrophobicContact CD2-CE2 3.97Å; L240-F244 PolarHBondContact O-N 2.86Å |
| 241 | D | 92.8 | Very high | 92.1 | Very high | 45 Ų | 45 | 51.2 Ų | 51.2 | 24% | 0.241 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -39 | 173 | -168.5 | 47.5 | 0 | 0 | 0 | 111.2 | F184 L188 L237 E238 A243 G245 K285 | F184-D241 HydrophobicContact CZ-CB 4.4Å; L188-D241 HydrophobicContact CD2-CB 4.08Å; L237-D241 PolarHBondContact O-N 3.18Å; E238-D241 PolarHBondContact O-N 3.3Å; D241-A243 VanDerWaalsContact C-N 3.3Å; D241-A243 PolarHBondContact O-N 2.97Å; D241-G245 WeakPolarHBondContact O-CA 3.32Å; D241-G245 PolarHBondContact O-N 3.38Å; D241-K285 IonicContact OD1-NZ 2.88Å; D241-K285 IonicContact OD2-NZ 3.85Å; D241-K285 PolarHBondContact OD2-NZ 3.39Å |
| 242 | S | 91.4 | Very high | 92.2 | Very high | 108 Ų | 108 | 54.8 Ų | 54.8 | 76% | 0.755 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.2 | -31.6 | 174.1 | -176.9 | 0 | 0 | 0 | 0 | 113.3 | E238 L240 | E238-S242 WeakPolarHBondContact O-CB 3.44Å; E238-S242 PolarHBondContact O-N 2.92Å; L240-S242 VanDerWaalsContact C-N 3.3Å; L240-S242 PolarHBondContact O-N 2.84Å |
| 243 | A | 92.8 | Very high | 92.2 | Very high | 52 Ų | 52 | 54 Ų | 54 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -91.3 | -35 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V220 A239 L240 D241 | V220-A243 HydrophobicContact CG1-CB 4.06Å; V220-A243 HydrophobicContact CG2-CB 4Å; A239-A243 WeakPolarHBondContact O-CB 3.3Å; A239-A243 PolarHBondContact O-N 3.04Å; A239-A243 VanDerWaalsContact O-N 3.12Å; L240-A243 PolarHBondContact O-N 3.48Å; L240-A243 VanDerWaalsContact O-N 3.16Å; D241-A243 VanDerWaalsContact C-N 3.3Å; D241-A243 PolarHBondContact O-N 2.97Å |
| 244 | F | 92.6 | Very high | 92.2 | Very high | 52 Ų | 52 | 56.7 Ų | 56.7 | 23% | 0.228 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -124 | -8.6 | -172.5 | -61.4 | -79.7 | 0 | 0 | 0 | 113.9 | F171 F184 P216 A217 V220 L240 | F171-F244 HydrophobicContact CE1-CD2 4.12Å; F171-F244 HydrophobicContact CE1-CG 4.15Å; F171-F244 HydrophobicContact CZ-CB 4.04Å; F171-F244 HydrophobicContact CZ-CD1 4.07Å; F171-F244 HydrophobicContact CZ-CD2 4.29Å; F171-F244 AromaticContact CZ-CG 3.86Å; F171-F244 HydrophobicContact CZ-CG 3.86Å; F184-F244 HydrophobicContact CD1-CB 4.09Å; F184-F244 VanDerWaalsContact CD1-O 3.3Å; F184-F244 WeakPolarHBondContact CD1-O 3.38Å; F184-F244 HydrophobicContact CD2-CB 3.69Å; F184-F244 HydrophobicContact CE1-CB 4.19Å; F184-F244 HydrophobicContact CE2-CB 3.78Å; F184-F244 HydrophobicContact CG-CB 3.84Å; F184-F244 HydrophobicContact CZ-CB 4.03Å; P216-F244 HydrophobicContact CB-CE1 4.09Å; P216-F244 HydrophobicContact CB-CZ 3.87Å; A217-F244 HydrophobicContact CB-CE2 3.92Å; A217-F244 HydrophobicContact CB-CZ 4.05Å; V220-F244 HydrophobicContact CB-CE2 4.39Å; V220-F244 HydrophobicContact CG2-CE2 3.82Å; V220-F244 HydrophobicContact CG2-CZ 4.13Å; L240-F244 HydrophobicContact CD2-CD2 3.99Å; L240-F244 HydrophobicContact CD2-CE2 3.97Å; L240-F244 PolarHBondContact O-N 2.86Å |
| 245 | G | 87.5 | Confident | 92.3 | Very high | 19 Ų | 19 | 59.3 Ų | 59.3 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -69.1 | 169.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F184 D241 A247 | F184-G245 VanDerWaalsContact CE1-N 3.32Å; D241-G245 WeakPolarHBondContact O-CA 3.32Å; D241-G245 PolarHBondContact O-N 3.38Å; G245-A247 PolarHBondContact O-N 3.26Å |
| 246 | M | 81.6 | Confident | 92.3 | Very high | 89 Ų | 89 | 57.1 Ų | 57.1 | 44% | 0.438 | 34% | 0.335 | S | S | . | . | trans | -59.1 | 121.7 | 172.7 | -67.5 | -76.3 | -55.2 | 0 | 0 | 109.3 | E248 | M246-E248 HydrophobicContact CE-CB 4.47Å; M246-E248 HydrophobicContact CE-CG 3.97Å; M246-E248 WeakPolarHBondContact CE-OE2 3.45Å; M246-E248 PolarHBondContact O-N 2.91Å | ||
| 247 | A | 82.3 | Confident | 92.4 | Very high | 109 Ų | 109 | 57.1 Ų | 57.1 | 90% | 0.901 | 34% | 0.335 | S | S | * | . | trans | -71.5 | -9.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G245 S249 | G245-A247 PolarHBondContact O-N 3.26Å; A247-S249 PolarHBondContact O-N 3.48Å | ||
| 248 | E | 86.9 | Confident | 92.5 | Very high | 85 Ų | 85 | 59.9 Ų | 59.9 | 40% | 0.397 | 35% | 0.345 | S | S | . | . | trans | -65.9 | 128.8 | 178.7 | -63.9 | -175.6 | 134.1 | 0 | 0 | 110.6 | M246 D252 L253 | M246-E248 HydrophobicContact CE-CB 4.47Å; M246-E248 HydrophobicContact CE-CG 3.97Å; M246-E248 WeakPolarHBondContact CE-OE2 3.45Å; M246-E248 PolarHBondContact O-N 2.91Å; E248-D252 HydrophobicContact CB-CB 4.21Å; E248-L253 HydrophobicContact CB-CD2 4.1Å; E248-L253 HydrophobicContact CB-CG 4.07Å; E248-L253 VanDerWaalsContact OE2-CD2 3.26Å; E248-L253 WeakPolarHBondContact OE2-CD2 3.31Å | ||
| 249 | S | 91.4 | Very high | 92.7 | Very high | 50 Ų | 50 | 60.6 Ų | 60.6 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | trans | -72.3 | 163.8 | 173.9 | 68 | 0 | 0 | 0 | 0 | 111.3 | A247 D251 D252 L253 | A247-S249 PolarHBondContact O-N 3.48Å; S249-D251 PolarHBondContact O-N 3.1Å; S249-D252 WeakPolarHBondContact CB-OD2 3.47Å; S249-D252 PolarHBondContact N-OD2 3.29Å; S249-D252 PolarHBondContact O-N 2.79Å; S249-D252 VanDerWaalsContact O-N 3.15Å; S249-D252 PolarHBondContact OG-N 3.26Å; S249-D252 PolarHBondContact OG-OD2 3.27Å; S249-L253 WeakPolarHBondContact O-CG 3.28Å; S249-L253 PolarHBondContact O-N 2.86Å | ||
| 250 | G | 91.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 60.7 Ų | 60.7 | 7% | 0.072 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -54.2 | -35.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y254 K285 | G250-Y254 WeakPolarHBondContact O-CB 3.31Å; G250-Y254 PolarHBondContact O-N 3.49Å; G250-K285 VanDerWaalsContact CA-O 3.25Å; G250-K285 WeakPolarHBondContact CA-O 3.44Å |
| 251 | D | 93.9 | Very high | 92.9 | Very high | 104 Ų | 104 | 65.9 Ų | 65.9 | 56% | 0.556 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -67.1 | -46.2 | 176.6 | -71.3 | -22 | 0 | 0 | 0 | 111.7 | S249 L253 Y254 F255 | S249-D251 PolarHBondContact O-N 3.1Å; D251-L253 VanDerWaalsContact C-N 3.32Å; D251-L253 PolarHBondContact O-N 2.92Å; D251-Y254 WeakPolarHBondContact O-CB 3.38Å; D251-Y254 PolarHBondContact O-N 3.32Å; D251-Y254 VanDerWaalsContact O-N 3.09Å; D251-F255 HydrophobicContact CB-CE2 4.36Å; D251-F255 WeakPolarHBondContact O-CD2 3.44Å; D251-F255 PolarHBondContact O-N 3.09Å |
| 252 | D | 94.9 | Very high | 93.1 | Very high | 81 Ų | 81 | 64.4 Ų | 64.4 | 43% | 0.433 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 177 | -61.7 | -46.7 | 0 | 0 | 0 | 111.1 | E248 S249 Y254 F255 A256 | E248-D252 HydrophobicContact CB-CB 4.21Å; S249-D252 WeakPolarHBondContact CB-OD2 3.47Å; S249-D252 PolarHBondContact N-OD2 3.29Å; S249-D252 PolarHBondContact O-N 2.79Å; S249-D252 VanDerWaalsContact O-N 3.15Å; S249-D252 PolarHBondContact OG-N 3.26Å; S249-D252 PolarHBondContact OG-OD2 3.27Å; D252-Y254 VanDerWaalsContact C-N 3.3Å; D252-Y254 PolarHBondContact O-N 2.69Å; D252-F255 PolarHBondContact O-N 2.99Å; D252-A256 PolarHBondContact O-N 2.91Å |
| 253 | L | 95 | Very high | 93.3 | Very high | 16 Ų | 16 | 64.7 Ų | 64.7 | 8% | 0.084 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 175.1 | -67.9 | 172.1 | 0 | 0 | 0 | 111.3 | E248 S249 D251 A256 F257 K281 V282 K285 | E248-L253 HydrophobicContact CB-CD2 4.1Å; E248-L253 HydrophobicContact CB-CG 4.07Å; E248-L253 VanDerWaalsContact OE2-CD2 3.26Å; E248-L253 WeakPolarHBondContact OE2-CD2 3.31Å; S249-L253 WeakPolarHBondContact O-CG 3.28Å; S249-L253 PolarHBondContact O-N 2.86Å; D251-L253 VanDerWaalsContact C-N 3.32Å; D251-L253 PolarHBondContact O-N 2.92Å; L253-A256 PolarHBondContact O-N 3.39Å; L253-F257 WeakPolarHBondContact O-CB 3.08Å; L253-F257 PolarHBondContact O-N 3.37Å; L253-K281 HydrophobicContact CD1-CB 4.32Å; L253-V282 HydrophobicContact CB-CG2 3.89Å; L253-V282 WeakPolarHBondContact O-CG2 3.27Å; L253-K285 HydrophobicContact CD1-CB 3.99Å; L253-K285 HydrophobicContact CD1-CG 3.86Å |
| 254 | Y | 96.8 | Very high | 93.3 | Very high | 59 Ų | 59 | 68.5 Ų | 68.5 | 23% | 0.231 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 176.3 | -174.9 | -110.9 | 0 | 0 | 0 | 111.3 | G250 D251 D252 F257 R258 V282 L288 | G250-Y254 WeakPolarHBondContact O-CB 3.31Å; G250-Y254 PolarHBondContact O-N 3.49Å; D251-Y254 WeakPolarHBondContact O-CB 3.38Å; D251-Y254 PolarHBondContact O-N 3.32Å; D251-Y254 VanDerWaalsContact O-N 3.09Å; D252-Y254 VanDerWaalsContact C-N 3.3Å; D252-Y254 PolarHBondContact O-N 2.69Å; Y254-F257 HydrophobicContact CD2-CD1 4.03Å; Y254-F257 HydrophobicContact CE2-CD1 4.04Å; Y254-F257 HydrophobicContact CE2-CE1 4.28Å; Y254-F257 WeakPolarHBondContact O-CB 3.37Å; Y254-F257 PolarHBondContact O-N 3.26Å; Y254-R258 HydrophobicContact CD1-CG 4.28Å; Y254-R258 HydrophobicContact CE1-CG 3.94Å; Y254-R258 HydrophobicContact CE2-CG 4.34Å; Y254-R258 VanDerWaalsContact O-CG 3.29Å; Y254-R258 WeakPolarHBondContact O-CG 3.35Å; Y254-R258 PolarHBondContact O-N 2.85Å; Y254-V282 HydrophobicContact CD2-CG1 3.91Å; Y254-V282 HydrophobicContact CG-CG1 4.38Å; Y254-L288 HydrophobicContact CE2-CD1 4.09Å |
| 255 | F | 96.3 | Very high | 93.3 | Very high | 134 Ų | 134 | 70 Ų | 70 | 59% | 0.588 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.2 | -46.6 | 173.6 | -73.3 | -63.6 | 0 | 0 | 0 | 111.6 | D251 D252 F257 R258 L259 | D251-F255 HydrophobicContact CB-CE2 4.36Å; D251-F255 WeakPolarHBondContact O-CD2 3.44Å; D251-F255 PolarHBondContact O-N 3.09Å; D252-F255 PolarHBondContact O-N 2.99Å; F255-F257 VanDerWaalsContact C-N 3.33Å; F255-F257 PolarHBondContact O-N 3.07Å; F255-R258 PolarHBondContact O-N 2.83Å; F255-R258 VanDerWaalsContact O-N 3.1Å; F255-L259 WeakPolarHBondContact O-CG 3.3Å; F255-L259 PolarHBondContact O-N 2.83Å; F255-L259 VanDerWaalsContact O-N 3.13Å |
| 256 | A | 96.1 | Very high | 93.6 | Very high | 45 Ų | 45 | 70.8 Ų | 70.8 | 37% | 0.372 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D252 L253 R258 L259 M260 | D252-A256 PolarHBondContact O-N 2.91Å; L253-A256 PolarHBondContact O-N 3.39Å; A256-R258 VanDerWaalsContact C-N 3.31Å; A256-R258 PolarHBondContact O-N 3.37Å; A256-L259 PolarHBondContact O-N 3.37Å; A256-L259 VanDerWaalsContact O-N 3.13Å; A256-M260 WeakPolarHBondContact O-CG 3.47Å; A256-M260 PolarHBondContact O-N 3.27Å |
| 257 | F | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -55.8 | -44.3 | 173.2 | 164.1 | -101.6 | 0 | 0 | 0 | 111.9 | L253 Y254 F255 L259 M260 L275 L279 V282 A296 Q300 | L253-F257 WeakPolarHBondContact O-CB 3.08Å; L253-F257 PolarHBondContact O-N 3.37Å; Y254-F257 HydrophobicContact CD2-CD1 4.03Å; Y254-F257 HydrophobicContact CE2-CD1 4.04Å; Y254-F257 HydrophobicContact CE2-CE1 4.28Å; Y254-F257 WeakPolarHBondContact O-CB 3.37Å; Y254-F257 PolarHBondContact O-N 3.26Å; F255-F257 VanDerWaalsContact C-N 3.33Å; F255-F257 PolarHBondContact O-N 3.07Å; F257-L259 PolarHBondContact O-N 3.37Å; F257-M260 HydrophobicContact CD2-SD 4.3Å; F257-M260 WeakPolarHBondContact O-CB 3.41Å; F257-M260 WeakPolarHBondContact O-CG 3.32Å; F257-M260 PolarHBondContact O-N 3.49Å; F257-M260 VanDerWaalsContact O-N 3.17Å; F257-L275 HydrophobicContact CD2-CD2 4.13Å; F257-L275 HydrophobicContact CE2-CD2 3.76Å; F257-L279 HydrophobicContact CD1-CD1 4.5Å; F257-L279 HydrophobicContact CD2-CB 4.16Å; F257-L279 HydrophobicContact CD2-CD1 4.39Å; F257-L279 HydrophobicContact CE1-CD1 4.19Å; F257-L279 HydrophobicContact CE2-CB 3.93Å; F257-L279 HydrophobicContact CE2-CD1 4.07Å; F257-L279 HydrophobicContact CE2-CD2 4.43Å; F257-L279 HydrophobicContact CE2-CG 4.37Å; F257-L279 HydrophobicContact CZ-CD1 3.96Å; F257-L279 HydrophobicContact CZ-CD2 4.44Å; F257-V282 HydrophobicContact CB-CG2 4.06Å; F257-A296 HydrophobicContact CE1-CB 4.22Å; F257-A296 HydrophobicContact CZ-CB 4.35Å; F257-Q300 HydrophobicContact CE1-CB 3.83Å; F257-Q300 HydrophobicContact CE1-CG 4.12Å; F257-Q300 HydrophobicContact CE2-CB 3.99Å; F257-Q300 HydrophobicContact CE2-CG 3.98Å; F257-Q300 HydrophobicContact CZ-CB 3.36Å; F257-Q300 HydrophobicContact CZ-CG 3.77Å; F257-Q300 PolarHBondContact O-NE2 3.43Å |
| 258 | R | 97 | Very high | 95 | Very high | 57 Ų | 57 | 67.4 Ų | 67.4 | 22% | 0.215 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.7 | -18.4 | -180 | -63.9 | -61.6 | -90.9 | 171.1 | -27.1 | 113.8 | Y254 F255 A256 E299 Q300 K303 | Y254-R258 HydrophobicContact CD1-CG 4.28Å; Y254-R258 HydrophobicContact CE1-CG 3.94Å; Y254-R258 HydrophobicContact CE2-CG 4.34Å; Y254-R258 VanDerWaalsContact O-CG 3.29Å; Y254-R258 WeakPolarHBondContact O-CG 3.35Å; Y254-R258 PolarHBondContact O-N 2.85Å; F255-R258 PolarHBondContact O-N 2.83Å; F255-R258 VanDerWaalsContact O-N 3.1Å; A256-R258 VanDerWaalsContact C-N 3.31Å; A256-R258 PolarHBondContact O-N 3.37Å; R258-E299 IonicContact CZ-OE2 3.84Å; R258-E299 IonicContact NH1-OE2 3.93Å; R258-E299 IonicContact NH2-OE2 2.97Å; R258-E299 PolarHBondContact NH2-OE2 3.29Å; R258-Q300 VanDerWaalsContact C-NE2 3.3Å; R258-Q300 PolarHBondContact O-NE2 3.41Å; R258-Q300 PolarHBondContact O-OE1 2.9Å; R258-K303 VanDerWaalsContact NH2-NZ 3.15Å |
| 259 | L | 96.7 | Very high | 95.5 | Very high | 138 Ų | 138 | 63.6 Ų | 63.6 | 72% | 0.723 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -89.3 | -8.3 | 175.1 | -66.8 | 170.9 | 0 | 0 | 0 | 113.4 | F255 A256 F257 Q261 | F255-L259 WeakPolarHBondContact O-CG 3.3Å; F255-L259 PolarHBondContact O-N 2.83Å; F255-L259 VanDerWaalsContact O-N 3.13Å; A256-L259 PolarHBondContact O-N 3.37Å; A256-L259 VanDerWaalsContact O-N 3.13Å; F257-L259 PolarHBondContact O-N 3.37Å; L259-Q261 PolarHBondContact O-N 3.24Å |
| 260 | M | 97.8 | Very high | 95.8 | Very high | 24 Ų | 24 | 64.4 Ų | 64.4 | 12% | 0.118 | 35% | 0.352 | C | S | . | . | trans | -65 | 127.2 | -178.3 | -66.3 | -176.7 | 69.2 | 0 | 0 | 112 | A256 F257 F271 R274 L275 S278 Q300 | A256-M260 WeakPolarHBondContact O-CG 3.47Å; A256-M260 PolarHBondContact O-N 3.27Å; F257-M260 HydrophobicContact CD2-SD 4.3Å; F257-M260 WeakPolarHBondContact O-CB 3.41Å; F257-M260 WeakPolarHBondContact O-CG 3.32Å; F257-M260 PolarHBondContact O-N 3.49Å; F257-M260 VanDerWaalsContact O-N 3.17Å; M260-F271 HydrophobicContact CB-CE2 4.24Å; M260-R274 HydrophobicContact CE-CB 4.24Å; M260-R274 HydrophobicContact CE-CG 3.67Å; M260-L275 HydrophobicContact CB-CD2 3.83Å; M260-L275 HydrophobicContact CE-CD2 4.17Å; M260-L275 HydrophobicContact CE-CG 4.4Å; M260-L275 HydrophobicContact CG-CD2 4.47Å; M260-L275 HydrophobicContact SD-CD2 3.9Å; M260-S278 WeakPolarHBondContact SD-CB 3.4Å; M260-S278 PolarHBondContact SD-OG 3.19Å; M260-S278 VanDerWaalsContact SD-OG 3.4Å; M260-Q300 PolarHBondContact O-NE2 3.01Å | ||
| 261 | Q | 97.3 | Very high | 96.1 | Very high | 109 Ų | 109 | 64.1 Ų | 64.1 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | trans | -123.8 | 151.2 | 173.3 | -64.4 | -178 | 0 | 0 | 0 | 111.2 | L259 Q263 R274 G304 V306 | L259-Q261 PolarHBondContact O-N 3.24Å; Q261-Q263 PolarHBondContact O-N 3.35Å; Q261-Q263 PolarHBondContact O-NE2 3.47Å; Q261-R274 PolarHBondContact O-NH2 3.47Å; Q261-G304 CarbonylContact C-O 3.49Å; Q261-G304 WeakPolarHBondContact CA-O 3.48Å; Q261-V306 HydrophobicContact CB-CG2 4.48Å | ||
| 262 | Q | 97.5 | Very high | 96.3 | Very high | 14 Ų | 14 | 59.1 Ų | 59.1 | 7% | 0.065 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 128.5 | 171 | -176.8 | 176.4 | 17.2 | 0 | 0 | 109.2 | E266 F271 G304 V306 S308 | Q262-E266 WeakPolarHBondContact CA-OE2 3.45Å; Q262-E266 HydrophobicContact CG-CB 4.18Å; Q262-E266 PolarHBondContact NE2-O 3.46Å; Q262-F271 HydrophobicContact CB-CB 4.24Å; Q262-F271 HydrophobicContact CB-CD1 3.82Å; Q262-F271 HydrophobicContact CB-CD2 4.23Å; Q262-F271 HydrophobicContact CB-CE1 4.19Å; Q262-F271 HydrophobicContact CB-CG 3.83Å; Q262-F271 HydrophobicContact CG-CB 4.11Å; Q262-F271 HydrophobicContact CG-CD1 4.42Å; Q262-F271 HydrophobicContact CG-CG 4.25Å; Q262-G304 PolarHBondContact N-O 3.5Å; Q262-V306 HydrophobicContact CB-CG2 4.42Å; Q262-V306 WeakPolarHBondContact O-CG2 3.48Å; Q262-S308 PolarHBondContact NE2-OG 3.36Å; Q262-S308 PolarHBondContact OE1-OG 3.23Å |
| 263 | Q | 94.9 | Very high | 96.4 | Very high | 114 Ų | 114 | 59.3 Ų | 59.3 | 53% | 0.533 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 154.5 | 179 | -56.7 | -58.3 | -53.6 | 0 | 0 | 110.4 | Q261 G265 E266 | Q261-Q263 PolarHBondContact O-N 3.35Å; Q261-Q263 PolarHBondContact O-NE2 3.47Å; Q263-G265 PolarHBondContact O-N 2.91Å; Q263-G265 VanDerWaalsContact O-N 3.16Å; Q263-E266 HydrophobicContact CB-CB 4.03Å; Q263-E266 PolarHBondContact N-OE2 2.81Å; Q263-E266 VanDerWaalsContact O-CB 3.24Å; Q263-E266 WeakPolarHBondContact O-CB 3.33Å; Q263-E266 PolarHBondContact O-N 3.42Å |
| 264 | S | 93.8 | Very high | 96.6 | Very high | 133 Ų | 133 | 61.4 Ų | 61.4 | 93% | 0.93 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 121.8 | 176.3 | 176.7 | 0 | 0 | 0 | 0 | 111 | E266 | S264-E266 VanDerWaalsContact C-N 3.27Å; S264-E266 PolarHBondContact O-N 2.99Å |
| 265 | G | 91.2 | Very high | 96.6 | Very high | 82 Ų | 82 | 58.6 Ų | 58.6 | 85% | 0.845 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -0.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q263 | Q263-G265 PolarHBondContact O-N 2.91Å; Q263-G265 VanDerWaalsContact O-N 3.16Å |
| 266 | E | 95.4 | Very high | 96.7 | Very high | 36 Ų | 36 | 53.6 Ų | 53.6 | 17% | 0.168 | 29% | 0.291 | C | S | . | . | trans | -72.7 | 131.1 | 171.7 | -173.3 | -178.8 | -151.8 | 0 | 0 | 109.5 | Q262 Q263 S264 D270 F271 R274 | Q262-E266 WeakPolarHBondContact CA-OE2 3.45Å; Q262-E266 HydrophobicContact CG-CB 4.18Å; Q262-E266 PolarHBondContact NE2-O 3.46Å; Q263-E266 HydrophobicContact CB-CB 4.03Å; Q263-E266 PolarHBondContact N-OE2 2.81Å; Q263-E266 VanDerWaalsContact O-CB 3.24Å; Q263-E266 WeakPolarHBondContact O-CB 3.33Å; Q263-E266 PolarHBondContact O-N 3.42Å; S264-E266 VanDerWaalsContact C-N 3.27Å; S264-E266 PolarHBondContact O-N 2.99Å; E266-D270 HydrophobicContact CG-CB 3.75Å; E266-F271 HydrophobicContact CG-CB 4.29Å; E266-F271 WeakPolarHBondContact OE1-CA 3.13Å; E266-F271 PolarHBondContact OE1-N 2.99Å; E266-R274 IonicContact OE1-CZ 2.63Å; E266-R274 IonicContact OE1-NE 3.23Å; E266-R274 PolarHBondContact OE1-NE 2.86Å; E266-R274 IonicContact OE1-NH2 3.5Å; E266-R274 PolarHBondContact OE1-NH2 3.19Å; E266-R274 IonicContact OE2-CZ 3.81Å; E266-R274 IonicContact OE2-NE 2.71Å; E266-R274 IonicContact OE2-NH2 3.7Å; E266-R274 PolarHBondContact OE2-NH2 2.94Å | ||
| 267 | K | 95.9 | Very high | 96.6 | Very high | 126 Ų | 126 | 59.7 Ų | 59.7 | 55% | 0.548 | 30% | 0.304 | S | S | . | . | trans | -66.3 | 152.3 | 172.9 | -69.3 | -172 | 174.7 | -171.4 | 0 | 110.7 | S269 D270 F271 E338 | K267-S269 PolarHBondContact O-N 3.42Å; K267-D270 HydrophobicContact CB-CB 4.42Å; K267-D270 PolarHBondContact O-N 3.36Å; K267-D270 VanDerWaalsContact O-N 3.08Å; K267-F271 PolarHBondContact O-N 3.16Å; K267-E338 WeakPolarHBondContact CB-OE1 3.31Å | ||
| 268 | L | 97.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -35.3 | 178.5 | -173.2 | 59.6 | 0 | 0 | 0 | 111.5 | F271 L272 L301 A305 M311 L312 L315 I334 E338 | L268-F271 HydrophobicContact CD1-CD1 4.3Å; L268-F271 PolarHBondContact O-N 3.17Å; L268-L272 WeakPolarHBondContact O-CB 3.42Å; L268-L272 PolarHBondContact O-N 3.42Å; L268-L301 HydrophobicContact CD1-CD1 3.65Å; L268-L301 HydrophobicContact CD1-CG 4.33Å; L268-A305 HydrophobicContact CD1-CB 3.59Å; L268-M311 HydrophobicContact CB-CE 4.49Å; L268-M311 HydrophobicContact CB-SD 4.2Å; L268-M311 HydrophobicContact CD2-CB 3.99Å; L268-M311 HydrophobicContact CD2-CE 4.17Å; L268-M311 HydrophobicContact CD2-SD 4.09Å; L268-L312 HydrophobicContact CD1-CD2 4.39Å; L268-L312 HydrophobicContact CD2-CD2 4.15Å; L268-L315 HydrophobicContact CD2-CD1 4.34Å; L268-I334 HydrophobicContact CB-CG2 3.87Å; L268-I334 HydrophobicContact CD2-CD1 4.24Å; L268-I334 HydrophobicContact CD2-CG1 4.08Å; L268-I334 HydrophobicContact CD2-CG2 4.07Å; L268-I334 HydrophobicContact CG-CD1 4.17Å; L268-I334 HydrophobicContact CG-CG1 4.42Å; L268-I334 HydrophobicContact CG-CG2 3.94Å; L268-E338 PolarHBondContact N-OE1 2.62Å; L268-E338 VanDerWaalsContact N-OE1 3.1Å |
| 269 | S | 97.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 58.1 Ų | 58.1 | 3% | 0.028 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.4 | -33.9 | 175.7 | 64.4 | 0 | 0 | 0 | 0 | 113.5 | K267 R273 E338 | K267-S269 PolarHBondContact O-N 3.42Å; S269-R273 WeakPolarHBondContact O-CG 3.28Å; S269-R273 VanDerWaalsContact O-CZ 3.27Å; S269-R273 PolarHBondContact O-N 3.06Å; S269-R273 VanDerWaalsContact O-N 3.12Å; S269-R273 PolarHBondContact O-NE 3.38Å; S269-R273 PolarHBondContact OG-NH2 3.25Å; S269-E338 WeakPolarHBondContact CB-OE1 3.41Å; S269-E338 WeakPolarHBondContact CB-OE2 3.36Å; S269-E338 PolarHBondContact N-OE1 3.35Å; S269-E338 PolarHBondContact OG-OE1 3.23Å; S269-E338 PolarHBondContact OG-OE2 3.16Å |
| 270 | D | 97.6 | Very high | 96.5 | Very high | 68 Ų | 68 | 54.1 Ų | 54.1 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.3 | -45.1 | 174.4 | -74.5 | -48.3 | 0 | 0 | 0 | 110.9 | E266 K267 L272 R273 R274 | E266-D270 HydrophobicContact CG-CB 3.75Å; K267-D270 HydrophobicContact CB-CB 4.42Å; K267-D270 PolarHBondContact O-N 3.36Å; K267-D270 VanDerWaalsContact O-N 3.08Å; D270-L272 VanDerWaalsContact C-N 3.3Å; D270-L272 PolarHBondContact O-N 3.12Å; D270-R273 VanDerWaalsContact CG-NH2 3.3Å; D270-R273 PolarHBondContact O-N 2.84Å; D270-R273 IonicContact OD1-CZ 2.85Å; D270-R273 IonicContact OD1-NE 2.65Å; D270-R273 PolarHBondContact OD1-NE 3.39Å; D270-R273 IonicContact OD1-NH2 3.84Å; D270-R273 PolarHBondContact OD1-NH2 2.97Å; D270-R273 IonicContact OD2-NH2 3.45Å; D270-R274 PolarHBondContact O-N 3.44Å |
| 271 | F | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.6 | -43.9 | 174.6 | 177.7 | -131.9 | 0 | 0 | 0 | 111.4 | M260 Q262 E266 K267 L268 R273 R274 L275 L301 G304 A305 | M260-F271 HydrophobicContact CB-CE2 4.24Å; Q262-F271 HydrophobicContact CB-CB 4.24Å; Q262-F271 HydrophobicContact CB-CD1 3.82Å; Q262-F271 HydrophobicContact CB-CD2 4.23Å; Q262-F271 HydrophobicContact CB-CE1 4.19Å; Q262-F271 HydrophobicContact CB-CG 3.83Å; Q262-F271 HydrophobicContact CG-CB 4.11Å; Q262-F271 HydrophobicContact CG-CD1 4.42Å; Q262-F271 HydrophobicContact CG-CG 4.25Å; E266-F271 HydrophobicContact CG-CB 4.29Å; E266-F271 WeakPolarHBondContact OE1-CA 3.13Å; E266-F271 PolarHBondContact OE1-N 2.99Å; K267-F271 PolarHBondContact O-N 3.16Å; L268-F271 HydrophobicContact CD1-CD1 4.3Å; L268-F271 PolarHBondContact O-N 3.17Å; F271-R273 PolarHBondContact O-N 2.88Å; F271-R274 VanDerWaalsContact CD2-NH2 3.25Å; F271-R274 PolarHBondContact O-N 3.11Å; F271-L275 HydrophobicContact CD1-CD1 3.88Å; F271-L275 HydrophobicContact CD2-CD1 4.27Å; F271-L275 HydrophobicContact CD2-CG 4.11Å; F271-L275 HydrophobicContact CE1-CD1 3.47Å; F271-L275 VanDerWaalsContact CE1-CD1 3.47Å; F271-L275 HydrophobicContact CE1-CG 4.2Å; F271-L275 HydrophobicContact CE2-CD1 3.92Å; F271-L275 HydrophobicContact CE2-CD2 4.05Å; F271-L275 HydrophobicContact CE2-CG 3.69Å; F271-L275 HydrophobicContact CG-CD1 4.28Å; F271-L275 HydrophobicContact CZ-CD1 3.5Å; F271-L275 VanDerWaalsContact CZ-CD1 3.5Å; F271-L275 HydrophobicContact CZ-CD2 3.96Å; F271-L275 HydrophobicContact CZ-CG 3.75Å; F271-L275 WeakPolarHBondContact O-CB 3.38Å; F271-L275 WeakPolarHBondContact O-CG 3.44Å; F271-L275 PolarHBondContact O-N 3.38Å; F271-L301 HydrophobicContact CD1-CD1 3.71Å; F271-L301 HydrophobicContact CE1-CD1 3.88Å; F271-G304 VanDerWaalsContact CE1-C 3.5Å; F271-A305 HydrophobicContact CD1-CB 4.12Å; F271-A305 HydrophobicContact CE1-CB 4.02Å |
| 272 | L | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 176.9 | -175.4 | 62.7 | 0 | 0 | 0 | 112.6 | L268 D270 R274 L275 E276 R297 L301 F327 L330 L331 I334 | L268-L272 WeakPolarHBondContact O-CB 3.42Å; L268-L272 PolarHBondContact O-N 3.42Å; D270-L272 VanDerWaalsContact C-N 3.3Å; D270-L272 PolarHBondContact O-N 3.12Å; L272-R274 VanDerWaalsContact C-N 3.3Å; L272-R274 PolarHBondContact O-N 2.89Å; L272-L275 WeakPolarHBondContact O-CB 3.31Å; L272-L275 PolarHBondContact O-N 2.68Å; L272-E276 PolarHBondContact O-N 3.17Å; L272-R297 HydrophobicContact CD1-CG 3.75Å; L272-L301 HydrophobicContact CD1-CD1 4.34Å; L272-L301 HydrophobicContact CD1-CD2 4.31Å; L272-F327 HydrophobicContact CD2-CD2 4.37Å; L272-F327 HydrophobicContact CD2-CE2 4.3Å; L272-F327 HydrophobicContact CG-CD2 4.24Å; L272-F327 HydrophobicContact CG-CE2 3.98Å; L272-L330 HydrophobicContact CD1-CD2 3.99Å; L272-L330 HydrophobicContact CD2-CB 4.34Å; L272-L330 HydrophobicContact CD2-CD2 3.96Å; L272-L330 HydrophobicContact CD2-CG 3.86Å; L272-L331 HydrophobicContact CD2-CB 4.07Å; L272-L331 HydrophobicContact CD2-CD1 4.3Å; L272-I334 HydrophobicContact CB-CD1 4.48Å; L272-I334 HydrophobicContact CD2-CD1 3.58Å |
| 273 | R | 98.2 | Very high | 96.1 | Very high | 84 Ų | 84 | 52.7 Ų | 52.7 | 32% | 0.317 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 175.4 | -76.9 | -177.9 | -76.4 | -86.5 | 0.8 | 111.8 | S269 D270 F271 E276 R277 F327 | S269-R273 WeakPolarHBondContact O-CG 3.28Å; S269-R273 VanDerWaalsContact O-CZ 3.27Å; S269-R273 PolarHBondContact O-N 3.06Å; S269-R273 VanDerWaalsContact O-N 3.12Å; S269-R273 PolarHBondContact O-NE 3.38Å; S269-R273 PolarHBondContact OG-NH2 3.25Å; D270-R273 VanDerWaalsContact CG-NH2 3.3Å; D270-R273 PolarHBondContact O-N 2.84Å; D270-R273 IonicContact OD1-CZ 2.85Å; D270-R273 IonicContact OD1-NE 2.65Å; D270-R273 PolarHBondContact OD1-NE 3.39Å; D270-R273 IonicContact OD1-NH2 3.84Å; D270-R273 PolarHBondContact OD1-NH2 2.97Å; D270-R273 IonicContact OD2-NH2 3.45Å; F271-R273 PolarHBondContact O-N 2.88Å; R273-E276 PolarHBondContact O-N 3.04Å; R273-R277 PolarHBondContact O-N 2.88Å; R273-F327 HydrophobicContact CG-CZ 4.31Å |
| 274 | R | 97.4 | Very high | 95.9 | Very high | 60 Ų | 60 | 54.3 Ų | 54.3 | 23% | 0.226 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.9 | -43.7 | 176.7 | -168.3 | 167.3 | 51.3 | 85.2 | -4 | 111.2 | M260 Q261 E266 D270 F271 L272 E276 R277 S278 | M260-R274 HydrophobicContact CE-CB 4.24Å; M260-R274 HydrophobicContact CE-CG 3.67Å; Q261-R274 PolarHBondContact O-NH2 3.47Å; E266-R274 IonicContact OE1-CZ 2.63Å; E266-R274 IonicContact OE1-NE 3.23Å; E266-R274 PolarHBondContact OE1-NE 2.86Å; E266-R274 IonicContact OE1-NH2 3.5Å; E266-R274 PolarHBondContact OE1-NH2 3.19Å; E266-R274 IonicContact OE2-CZ 3.81Å; E266-R274 IonicContact OE2-NE 2.71Å; E266-R274 IonicContact OE2-NH2 3.7Å; E266-R274 PolarHBondContact OE2-NH2 2.94Å; D270-R274 PolarHBondContact O-N 3.44Å; F271-R274 VanDerWaalsContact CD2-NH2 3.25Å; F271-R274 PolarHBondContact O-N 3.11Å; L272-R274 VanDerWaalsContact C-N 3.3Å; L272-R274 PolarHBondContact O-N 2.89Å; R274-E276 VanDerWaalsContact C-N 3.31Å; R274-E276 PolarHBondContact O-N 3.17Å; R274-R277 PolarHBondContact O-N 3.46Å; R274-S278 PolarHBondContact O-N 2.82Å |
| 275 | L | 97.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.3 | -45.1 | 171.7 | -81 | 170.2 | 0 | 0 | 0 | 111.6 | F257 M260 F271 L272 R277 S278 L279 Q300 L301 | F257-L275 HydrophobicContact CD2-CD2 4.13Å; F257-L275 HydrophobicContact CE2-CD2 3.76Å; M260-L275 HydrophobicContact CB-CD2 3.83Å; M260-L275 HydrophobicContact CE-CD2 4.17Å; M260-L275 HydrophobicContact CE-CG 4.4Å; M260-L275 HydrophobicContact CG-CD2 4.47Å; M260-L275 HydrophobicContact SD-CD2 3.9Å; F271-L275 HydrophobicContact CD1-CD1 3.88Å; F271-L275 HydrophobicContact CD2-CD1 4.27Å; F271-L275 HydrophobicContact CD2-CG 4.11Å; F271-L275 HydrophobicContact CE1-CD1 3.47Å; F271-L275 VanDerWaalsContact CE1-CD1 3.47Å; F271-L275 HydrophobicContact CE1-CG 4.2Å; F271-L275 HydrophobicContact CE2-CD1 3.92Å; F271-L275 HydrophobicContact CE2-CD2 4.05Å; F271-L275 HydrophobicContact CE2-CG 3.69Å; F271-L275 HydrophobicContact CG-CD1 4.28Å; F271-L275 HydrophobicContact CZ-CD1 3.5Å; F271-L275 VanDerWaalsContact CZ-CD1 3.5Å; F271-L275 HydrophobicContact CZ-CD2 3.96Å; F271-L275 HydrophobicContact CZ-CG 3.75Å; F271-L275 WeakPolarHBondContact O-CB 3.38Å; F271-L275 WeakPolarHBondContact O-CG 3.44Å; F271-L275 PolarHBondContact O-N 3.38Å; L272-L275 WeakPolarHBondContact O-CB 3.31Å; L272-L275 PolarHBondContact O-N 2.68Å; L275-R277 PolarHBondContact O-N 3.36Å; L275-S278 PolarHBondContact O-N 3.36Å; L275-L279 WeakPolarHBondContact O-CB 3.39Å; L275-L279 PolarHBondContact O-N 3.41Å; L275-Q300 HydrophobicContact CD2-CB 4.2Å; L275-Q300 HydrophobicContact CD2-CG 3.44Å; L275-Q300 VanDerWaalsContact CD2-CG 3.44Å; L275-L301 HydrophobicContact CD1-CB 4.47Å; L275-L301 HydrophobicContact CD1-CD1 3.84Å |
| 276 | E | 97.8 | Very high | 95.7 | Very high | 29 Ų | 29 | 54.5 Ų | 54.5 | 14% | 0.136 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.8 | -47.6 | -179.3 | -170.3 | 62.4 | -168.3 | 0 | 0 | 111.9 | L272 R273 R274 S278 L279 S280 R297 F327 | L272-E276 PolarHBondContact O-N 3.17Å; R273-E276 PolarHBondContact O-N 3.04Å; R274-E276 VanDerWaalsContact C-N 3.31Å; R274-E276 PolarHBondContact O-N 3.17Å; E276-S278 VanDerWaalsContact C-N 3.26Å; E276-S278 PolarHBondContact O-N 3.32Å; E276-L279 PolarHBondContact O-N 2.86Å; E276-L279 VanDerWaalsContact O-N 3.14Å; E276-S280 PolarHBondContact O-N 3.47Å; E276-S280 PolarHBondContact O-OG 3.1Å; E276-S280 VanDerWaalsContact O-OG 3.05Å; E276-R297 IonicContact OE1-CZ 2.85Å; E276-R297 IonicContact OE1-NH2 3.46Å; E276-R297 PolarHBondContact OE1-NH2 3.21Å; E276-R297 IonicContact OE2-CZ 2.77Å; E276-R297 IonicContact OE2-NE 3.07Å; E276-R297 PolarHBondContact OE2-NE 2.97Å; E276-R297 IonicContact OE2-NH2 2.66Å; E276-R297 PolarHBondContact OE2-NH2 3.4Å; E276-F327 HydrophobicContact CB-CD2 3.86Å; E276-F327 HydrophobicContact CB-CE2 3.52Å; E276-F327 HydrophobicContact CB-CZ 4.07Å; E276-F327 HydrophobicContact CG-CD1 4.32Å; E276-F327 HydrophobicContact CG-CD2 3.71Å; E276-F327 HydrophobicContact CG-CE1 4.33Å; E276-F327 HydrophobicContact CG-CE2 3.71Å; E276-F327 HydrophobicContact CG-CG 4.03Å; E276-F327 HydrophobicContact CG-CZ 4.03Å; E276-F327 WeakPolarHBondContact OE2-CD2 2.94Å |
| 277 | R | 95.6 | Very high | 95.7 | Very high | 172 Ų | 172 | 53.6 Ų | 53.6 | 65% | 0.649 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -58 | -39.2 | 177.3 | -72.8 | -173.5 | -66.3 | 177.7 | -0.1 | 112.5 | R273 R274 L275 | R273-R277 PolarHBondContact O-N 2.88Å; R274-R277 PolarHBondContact O-N 3.46Å; L275-R277 PolarHBondContact O-N 3.36Å |
| 278 | S | 96.3 | Very high | 95.8 | Very high | 24 Ų | 24 | 48.7 Ų | 48.7 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.3 | -44.9 | 175.9 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | M260 R274 L275 E276 S280 K281 V282 | M260-S278 WeakPolarHBondContact SD-CB 3.4Å; M260-S278 PolarHBondContact SD-OG 3.19Å; M260-S278 VanDerWaalsContact SD-OG 3.4Å; R274-S278 PolarHBondContact O-N 2.82Å; L275-S278 PolarHBondContact O-N 3.36Å; E276-S278 VanDerWaalsContact C-N 3.26Å; E276-S278 PolarHBondContact O-N 3.32Å; S278-S280 VanDerWaalsContact C-N 3.35Å; S278-S280 PolarHBondContact O-N 3.5Å; S278-K281 WeakPolarHBondContact O-CB 3.4Å; S278-K281 PolarHBondContact O-N 3.31Å; S278-V282 WeakPolarHBondContact O-CG2 3.36Å; S278-V282 PolarHBondContact O-N 3.43Å; S278-V282 VanDerWaalsContact O-N 3.14Å |
| 279 | L | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -36.6 | -179.8 | -173.6 | 60.2 | 0 | 0 | 0 | 112.6 | F257 L275 E276 K281 V282 V283 L288 M293 A296 R297 | F257-L279 HydrophobicContact CD1-CD1 4.5Å; F257-L279 HydrophobicContact CD2-CB 4.16Å; F257-L279 HydrophobicContact CD2-CD1 4.39Å; F257-L279 HydrophobicContact CE1-CD1 4.19Å; F257-L279 HydrophobicContact CE2-CB 3.93Å; F257-L279 HydrophobicContact CE2-CD1 4.07Å; F257-L279 HydrophobicContact CE2-CD2 4.43Å; F257-L279 HydrophobicContact CE2-CG 4.37Å; F257-L279 HydrophobicContact CZ-CD1 3.96Å; F257-L279 HydrophobicContact CZ-CD2 4.44Å; L275-L279 WeakPolarHBondContact O-CB 3.39Å; L275-L279 PolarHBondContact O-N 3.41Å; E276-L279 PolarHBondContact O-N 2.86Å; E276-L279 VanDerWaalsContact O-N 3.14Å; L279-K281 VanDerWaalsContact C-N 3.31Å; L279-K281 PolarHBondContact O-N 3.07Å; L279-V282 WeakPolarHBondContact O-CB 3.49Å; L279-V282 PolarHBondContact O-N 2.88Å; L279-V283 WeakPolarHBondContact O-CG2 3.46Å; L279-V283 PolarHBondContact O-N 3.39Å; L279-V283 VanDerWaalsContact O-N 3.12Å; L279-L288 HydrophobicContact CD1-CD2 3.74Å; L279-M293 HydrophobicContact CD2-CB 4.14Å; L279-M293 HydrophobicContact CD2-CE 4.42Å; L279-M293 HydrophobicContact CD2-CG 4.46Å; L279-M293 WeakPolarHBondContact CD2-O 3.42Å; L279-M293 HydrophobicContact CG-CE 4.17Å; L279-M293 HydrophobicContact CG-CG 4.45Å; L279-A296 HydrophobicContact CD1-CB 4.18Å; L279-R297 HydrophobicContact CD2-CB 4.04Å |
| 280 | S | 95.4 | Very high | 95.6 | Very high | 54 Ų | 54 | 55.1 Ų | 55.1 | 38% | 0.378 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 173.5 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | E276 S278 V283 Q284 | E276-S280 PolarHBondContact O-N 3.47Å; E276-S280 PolarHBondContact O-OG 3.1Å; E276-S280 VanDerWaalsContact O-OG 3.05Å; S278-S280 VanDerWaalsContact C-N 3.35Å; S278-S280 PolarHBondContact O-N 3.5Å; S280-V283 PolarHBondContact O-N 3.27Å; S280-Q284 WeakPolarHBondContact O-CB 3.37Å; S280-Q284 PolarHBondContact O-N 3.41Å |
| 281 | K | 92.4 | Very high | 95.5 | Very high | 89 Ų | 89 | 57.1 Ų | 57.1 | 39% | 0.387 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 176.3 | -68.8 | -173.4 | 174.9 | -157.8 | 0 | 112.5 | L253 S278 L279 V283 Q284 K285 | L253-K281 HydrophobicContact CD1-CB 4.32Å; S278-K281 WeakPolarHBondContact O-CB 3.4Å; S278-K281 PolarHBondContact O-N 3.31Å; L279-K281 VanDerWaalsContact C-N 3.31Å; L279-K281 PolarHBondContact O-N 3.07Å; K281-V283 VanDerWaalsContact C-N 3.32Å; K281-V283 PolarHBondContact O-N 3.4Å; K281-Q284 PolarHBondContact O-N 2.86Å; K281-K285 PolarHBondContact O-N 2.92Å; K281-K285 VanDerWaalsContact O-N 3.11Å |
| 282 | V | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.6 | -47.7 | 175.1 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | L253 Y254 F257 S278 L279 K285 D286 G287 L288 | L253-V282 HydrophobicContact CB-CG2 3.89Å; L253-V282 WeakPolarHBondContact O-CG2 3.27Å; Y254-V282 HydrophobicContact CD2-CG1 3.91Å; Y254-V282 HydrophobicContact CG-CG1 4.38Å; F257-V282 HydrophobicContact CB-CG2 4.06Å; S278-V282 WeakPolarHBondContact O-CG2 3.36Å; S278-V282 PolarHBondContact O-N 3.43Å; S278-V282 VanDerWaalsContact O-N 3.14Å; L279-V282 WeakPolarHBondContact O-CB 3.49Å; L279-V282 PolarHBondContact O-N 2.88Å; V282-K285 CarbonylContact O-C 3.45Å; V282-K285 PolarHBondContact O-N 2.93Å; V282-D286 PolarHBondContact O-N 3.22Å; V282-G287 PolarHBondContact O-N 3.31Å; V282-L288 HydrophobicContact CG1-CB 3.66Å |
| 283 | V | 95.3 | Very high | 95.4 | Very high | 29 Ų | 29 | 60.6 Ų | 60.6 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.1 | -38.8 | -178.4 | 176.1 | 0 | 0 | 0 | 0 | 111 | L279 S280 K281 K285 D286 L288 A290 M293 | L279-V283 WeakPolarHBondContact O-CG2 3.46Å; L279-V283 PolarHBondContact O-N 3.39Å; L279-V283 VanDerWaalsContact O-N 3.12Å; S280-V283 PolarHBondContact O-N 3.27Å; K281-V283 VanDerWaalsContact C-N 3.32Å; K281-V283 PolarHBondContact O-N 3.4Å; V283-K285 PolarHBondContact O-N 3.36Å; V283-D286 PolarHBondContact O-N 3.27Å; V283-D286 VanDerWaalsContact O-N 3.13Å; V283-L288 HydrophobicContact CG2-CB 4.43Å; V283-L288 WeakPolarHBondContact CG2-O 3.46Å; V283-A290 HydrophobicContact CG1-CB 3.96Å; V283-M293 HydrophobicContact CB-SD 4.42Å; V283-M293 HydrophobicContact CG1-SD 4.33Å; V283-M293 HydrophobicContact CG2-CE 4.06Å; V283-M293 HydrophobicContact CG2-CG 3.5Å; V283-M293 HydrophobicContact CG2-SD 3.75Å |
| 284 | Q | 89.9 | Confident | 95.3 | Very high | 147 Ų | 147 | 58.9 Ų | 58.9 | 69% | 0.687 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.8 | -30.1 | 176.8 | -172.8 | -178.6 | 20.1 | 0 | 0 | 113 | S280 K281 | S280-Q284 WeakPolarHBondContact O-CB 3.37Å; S280-Q284 PolarHBondContact O-N 3.41Å; K281-Q284 PolarHBondContact O-N 2.86Å |
| 285 | K | 90.1 | Very high | 95.3 | Very high | 70 Ų | 70 | 61.2 Ų | 61.2 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 24.1 | 176.4 | -66.7 | -70.6 | -174.1 | -178.4 | 0 | 112.5 | D241 G250 L253 K281 V282 V283 G287 | D241-K285 IonicContact OD1-NZ 2.88Å; D241-K285 IonicContact OD2-NZ 3.85Å; D241-K285 PolarHBondContact OD2-NZ 3.39Å; G250-K285 VanDerWaalsContact CA-O 3.25Å; G250-K285 WeakPolarHBondContact CA-O 3.44Å; L253-K285 HydrophobicContact CD1-CB 3.99Å; L253-K285 HydrophobicContact CD1-CG 3.86Å; K281-K285 PolarHBondContact O-N 2.92Å; K281-K285 VanDerWaalsContact O-N 3.11Å; V282-K285 CarbonylContact O-C 3.45Å; V282-K285 PolarHBondContact O-N 2.93Å; V283-K285 PolarHBondContact O-N 3.36Å; K285-G287 PolarHBondContact O-N 2.9Å |
| 286 | D | 92.4 | Very high | 95.3 | Very high | 150 Ų | 150 | 61.4 Ų | 61.4 | 80% | 0.802 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 19.8 | 175 | -63.8 | -51.5 | 0 | 0 | 0 | 116.4 | V282 V283 L288 | V282-D286 PolarHBondContact O-N 3.22Å; V283-D286 PolarHBondContact O-N 3.27Å; V283-D286 VanDerWaalsContact O-N 3.13Å; D286-L288 VanDerWaalsContact C-N 3.26Å; D286-L288 PolarHBondContact O-N 3.39Å |
| 287 | G | 94.8 | Very high | 95.3 | Very high | 17 Ų | 17 | 60.3 Ų | 60.3 | 18% | 0.175 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -74.2 | -15.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | V282 K285 | V282-G287 PolarHBondContact O-N 3.31Å; K285-G287 PolarHBondContact O-N 2.9Å |
| 288 | L | 96.8 | Very high | 95.3 | Very high | 23 Ų | 23 | 52.1 Ų | 52.1 | 12% | 0.12 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -154.9 | 136.6 | 176.4 | -174.7 | 81.9 | 0 | 0 | 0 | 109.7 | Y254 L279 V282 V283 D286 A296 | Y254-L288 HydrophobicContact CE2-CD1 4.09Å; L279-L288 HydrophobicContact CD1-CD2 3.74Å; V282-L288 HydrophobicContact CG1-CB 3.66Å; V283-L288 HydrophobicContact CG2-CB 4.43Å; V283-L288 WeakPolarHBondContact CG2-O 3.46Å; D286-L288 VanDerWaalsContact C-N 3.26Å; D286-L288 PolarHBondContact O-N 3.39Å; L288-A296 HydrophobicContact CD2-CB 3.59Å |
| 289 | P | 96.3 | Very high | 95.3 | Very high | 75 Ų | 75 | 53.3 Ų | 53.3 | 49% | 0.487 | 30% | 0.3 | S | S | . | . | trans | -66.7 | 141.4 | 174.2 | 26.9 | -34.2 | 0 | 0 | 0 | 111.7 | S291 S292 | P289-S291 PolarHBondContact O-N 3.02Å; P289-S291 VanDerWaalsContact O-N 3.12Å; P289-S292 PolarHBondContact O-N 3.31Å | ||
| 290 | A | 95.4 | Very high | 95.4 | Very high | 65 Ų | 65 | 53.4 Ų | 53.4 | 54% | 0.537 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -54.1 | -34.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V283 S292 M293 | V283-A290 HydrophobicContact CG1-CB 3.96Å; A290-S292 PolarHBondContact O-N 3.49Å; A290-M293 HydrophobicContact CB-SD 4.39Å; A290-M293 WeakPolarHBondContact O-CB 3.4Å; A290-M293 VanDerWaalsContact O-CG 3.27Å; A290-M293 WeakPolarHBondContact O-CG 3.41Å; A290-M293 PolarHBondContact O-N 3.37Å |
| 291 | S | 95.5 | Very high | 95.4 | Very high | 111 Ų | 111 | 50.9 Ų | 50.9 | 78% | 0.776 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -61 | -23.9 | 176.5 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | P289 | P289-S291 PolarHBondContact O-N 3.02Å; P289-S291 VanDerWaalsContact O-N 3.12Å |
| 292 | S | 96 | Very high | 95.6 | Very high | 41 Ų | 41 | 48.2 Ų | 48.2 | 29% | 0.287 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -96.8 | -1.3 | -178.6 | -65 | 0 | 0 | 0 | 0 | 113.7 | P289 A290 N294 K295 A296 | P289-S292 PolarHBondContact O-N 3.31Å; A290-S292 PolarHBondContact O-N 3.49Å; S292-N294 PolarHBondContact O-N 3.09Å; S292-K295 PolarHBondContact O-N 3.49Å; S292-A296 WeakPolarHBondContact O-CB 3.46Å; S292-A296 PolarHBondContact O-N 2.88Å |
| 293 | M | 96.6 | Very high | 95.6 | Very high | 31 Ų | 31 | 54.5 Ų | 54.5 | 15% | 0.153 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.7 | -49.1 | -176.9 | -73.5 | 179.4 | 83 | 0 | 0 | 112.8 | L279 V283 A290 K295 A296 R297 | L279-M293 HydrophobicContact CD2-CB 4.14Å; L279-M293 HydrophobicContact CD2-CE 4.42Å; L279-M293 HydrophobicContact CD2-CG 4.46Å; L279-M293 WeakPolarHBondContact CD2-O 3.42Å; L279-M293 HydrophobicContact CG-CE 4.17Å; L279-M293 HydrophobicContact CG-CG 4.45Å; V283-M293 HydrophobicContact CB-SD 4.42Å; V283-M293 HydrophobicContact CG1-SD 4.33Å; V283-M293 HydrophobicContact CG2-CE 4.06Å; V283-M293 HydrophobicContact CG2-CG 3.5Å; V283-M293 HydrophobicContact CG2-SD 3.75Å; A290-M293 HydrophobicContact CB-SD 4.39Å; A290-M293 WeakPolarHBondContact O-CB 3.4Å; A290-M293 VanDerWaalsContact O-CG 3.27Å; A290-M293 WeakPolarHBondContact O-CG 3.41Å; A290-M293 PolarHBondContact O-N 3.37Å; M293-K295 VanDerWaalsContact C-N 3.27Å; M293-K295 PolarHBondContact O-N 3.19Å; M293-A296 PolarHBondContact O-N 3.23Å; M293-R297 WeakPolarHBondContact O-CB 3.36Å; M293-R297 PolarHBondContact O-N 3.32Å |
| 294 | N | 97.3 | Very high | 95.6 | Very high | 49 Ų | 49 | 53.2 Ų | 53.2 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61 | -39.6 | -177.7 | -64.9 | -14.6 | 0 | 0 | 0 | 111.8 | S292 R297 I298 P324 | S292-N294 PolarHBondContact O-N 3.09Å; N294-R297 PolarHBondContact OD1-NH1 3Å; N294-I298 WeakPolarHBondContact O-CG1 3.45Å; N294-I298 PolarHBondContact O-N 3.45Å; N294-P324 HydrophobicContact CB-CB 3.94Å; N294-P324 HydrophobicContact CB-CG 3.72Å |
| 295 | K | 96.6 | Very high | 95.8 | Very high | 109 Ų | 109 | 46.3 Ų | 46.3 | 47% | 0.474 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.6 | -50.1 | 176.5 | -174.1 | -179.6 | 176.9 | -176 | 0 | 111.3 | S292 M293 R297 I298 E299 P324 | S292-K295 PolarHBondContact O-N 3.49Å; M293-K295 VanDerWaalsContact C-N 3.27Å; M293-K295 PolarHBondContact O-N 3.19Å; K295-R297 VanDerWaalsContact C-N 3.28Å; K295-R297 PolarHBondContact O-N 3.39Å; K295-I298 PolarHBondContact O-N 3.24Å; K295-E299 VanDerWaalsContact CE-OE1 3.26Å; K295-E299 WeakPolarHBondContact CE-OE1 3.48Å; K295-E299 WeakPolarHBondContact O-CG 3.41Å; K295-E299 PolarHBondContact O-N 2.89Å; K295-P324 HydrophobicContact CB-CG 4.22Å |
| 296 | A | 97.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.7 | -40.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F257 L279 L288 S292 M293 E299 Q300 | F257-A296 HydrophobicContact CE1-CB 4.22Å; F257-A296 HydrophobicContact CZ-CB 4.35Å; L279-A296 HydrophobicContact CD1-CB 4.18Å; L288-A296 HydrophobicContact CD2-CB 3.59Å; S292-A296 WeakPolarHBondContact O-CB 3.46Å; S292-A296 PolarHBondContact O-N 2.88Å; M293-A296 PolarHBondContact O-N 3.23Å; A296-E299 PolarHBondContact O-N 3.31Å; A296-Q300 WeakPolarHBondContact O-CB 3.29Å; A296-Q300 PolarHBondContact O-N 2.84Å |
| 297 | R | 97.5 | Very high | 95.4 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 2% | 0.019 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.8 | -51.8 | 175.7 | -173.6 | -175.9 | -57.5 | 111 | 4.9 | 112.1 | L272 E276 L279 M293 N294 K295 E299 Q300 L301 L330 | L272-R297 HydrophobicContact CD1-CG 3.75Å; E276-R297 IonicContact OE1-CZ 2.85Å; E276-R297 IonicContact OE1-NH2 3.46Å; E276-R297 PolarHBondContact OE1-NH2 3.21Å; E276-R297 IonicContact OE2-CZ 2.77Å; E276-R297 IonicContact OE2-NE 3.07Å; E276-R297 PolarHBondContact OE2-NE 2.97Å; E276-R297 IonicContact OE2-NH2 2.66Å; E276-R297 PolarHBondContact OE2-NH2 3.4Å; L279-R297 HydrophobicContact CD2-CB 4.04Å; M293-R297 WeakPolarHBondContact O-CB 3.36Å; M293-R297 PolarHBondContact O-N 3.32Å; N294-R297 PolarHBondContact OD1-NH1 3Å; K295-R297 VanDerWaalsContact C-N 3.28Å; K295-R297 PolarHBondContact O-N 3.39Å; R297-E299 PolarHBondContact O-N 2.88Å; R297-Q300 PolarHBondContact O-N 2.82Å; R297-L301 VanDerWaalsContact O-CB 3.3Å; R297-L301 WeakPolarHBondContact O-CB 3.47Å; R297-L301 PolarHBondContact O-N 3.2Å; R297-L330 HydrophobicContact CG-CD2 4.4Å |
| 298 | I | 97 | Very high | 95.3 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 179.2 | -69.9 | -69.9 | 0 | 0 | 0 | 111.1 | N294 K295 Q300 L301 L302 L317 K321 P324 P325 L330 | N294-I298 WeakPolarHBondContact O-CG1 3.45Å; N294-I298 PolarHBondContact O-N 3.45Å; K295-I298 PolarHBondContact O-N 3.24Å; I298-Q300 VanDerWaalsContact C-N 3.31Å; I298-Q300 PolarHBondContact O-N 3.3Å; I298-L301 PolarHBondContact O-N 2.97Å; I298-L302 HydrophobicContact CG2-CD1 3.91Å; I298-L302 HydrophobicContact CG2-CG 4.45Å; I298-L302 WeakPolarHBondContact O-CB 3.33Å; I298-L302 VanDerWaalsContact O-CG 3.29Å; I298-L302 WeakPolarHBondContact O-CG 3.32Å; I298-L302 PolarHBondContact O-N 3.27Å; I298-L317 HydrophobicContact CD1-CD2 3.98Å; I298-K321 HydrophobicContact CG2-CG 4.18Å; I298-P324 HydrophobicContact CG1-CB 3.85Å; I298-P325 HydrophobicContact CD1-CG 4.03Å; I298-L330 HydrophobicContact CD1-CD1 4.15Å; I298-L330 HydrophobicContact CD1-CD2 3.72Å |
| 299 | E | 96.5 | Very high | 95 | Very high | 48 Ų | 48 | 46 Ų | 46 | 22% | 0.224 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 177.7 | -74.5 | -176.3 | -168.4 | 0 | 0 | 112.5 | R258 K295 A296 R297 K303 | R258-E299 IonicContact CZ-OE2 3.84Å; R258-E299 IonicContact NH1-OE2 3.93Å; R258-E299 IonicContact NH2-OE2 2.97Å; R258-E299 PolarHBondContact NH2-OE2 3.29Å; K295-E299 VanDerWaalsContact CE-OE1 3.26Å; K295-E299 WeakPolarHBondContact CE-OE1 3.48Å; K295-E299 WeakPolarHBondContact O-CG 3.41Å; K295-E299 PolarHBondContact O-N 2.89Å; A296-E299 PolarHBondContact O-N 3.31Å; R297-E299 PolarHBondContact O-N 2.88Å; E299-K303 WeakPolarHBondContact O-CG 3.42Å; E299-K303 PolarHBondContact O-N 2.83Å |
| 300 | Q | 97.5 | Very high | 94.7 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -75.2 | -35.1 | 179.7 | -168.6 | 58.3 | 22.1 | 0 | 0 | 112.1 | F257 R258 M260 L275 A296 R297 I298 L302 K303 G304 | F257-Q300 HydrophobicContact CE1-CB 3.83Å; F257-Q300 HydrophobicContact CE1-CG 4.12Å; F257-Q300 HydrophobicContact CE2-CB 3.99Å; F257-Q300 HydrophobicContact CE2-CG 3.98Å; F257-Q300 HydrophobicContact CZ-CB 3.36Å; F257-Q300 HydrophobicContact CZ-CG 3.77Å; F257-Q300 PolarHBondContact O-NE2 3.43Å; R258-Q300 VanDerWaalsContact C-NE2 3.3Å; R258-Q300 PolarHBondContact O-NE2 3.41Å; R258-Q300 PolarHBondContact O-OE1 2.9Å; M260-Q300 PolarHBondContact O-NE2 3.01Å; L275-Q300 HydrophobicContact CD2-CB 4.2Å; L275-Q300 HydrophobicContact CD2-CG 3.44Å; L275-Q300 VanDerWaalsContact CD2-CG 3.44Å; A296-Q300 WeakPolarHBondContact O-CB 3.29Å; A296-Q300 PolarHBondContact O-N 2.84Å; R297-Q300 PolarHBondContact O-N 2.82Å; I298-Q300 VanDerWaalsContact C-N 3.31Å; I298-Q300 PolarHBondContact O-N 3.3Å; Q300-L302 VanDerWaalsContact C-N 3.32Å; Q300-L302 PolarHBondContact O-N 2.86Å; Q300-K303 PolarHBondContact O-N 3.05Å; Q300-G304 WeakPolarHBondContact O-CA 3.3Å; Q300-G304 PolarHBondContact O-N 3.13Å |
| 301 | L | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 173.4 | -165 | 65.3 | 0 | 0 | 0 | 110.7 | L268 F271 L272 L275 R297 I298 K303 A305 L312 L317 L330 I334 | L268-L301 HydrophobicContact CD1-CD1 3.65Å; L268-L301 HydrophobicContact CD1-CG 4.33Å; F271-L301 HydrophobicContact CD1-CD1 3.71Å; F271-L301 HydrophobicContact CE1-CD1 3.88Å; L272-L301 HydrophobicContact CD1-CD1 4.34Å; L272-L301 HydrophobicContact CD1-CD2 4.31Å; L275-L301 HydrophobicContact CD1-CB 4.47Å; L275-L301 HydrophobicContact CD1-CD1 3.84Å; R297-L301 VanDerWaalsContact O-CB 3.3Å; R297-L301 WeakPolarHBondContact O-CB 3.47Å; R297-L301 PolarHBondContact O-N 3.2Å; I298-L301 PolarHBondContact O-N 2.97Å; L301-K303 VanDerWaalsContact C-N 3.26Å; L301-K303 PolarHBondContact O-N 3.18Å; L301-A305 HydrophobicContact CD1-CB 4.3Å; L301-A305 WeakPolarHBondContact O-CB 3.44Å; L301-A305 PolarHBondContact O-N 3.12Å; L301-L312 HydrophobicContact CD2-CD2 4.46Å; L301-L312 HydrophobicContact CG-CD2 4.1Å; L301-L317 HydrophobicContact CD2-CD1 3.67Å; L301-L317 HydrophobicContact CG-CD1 4.37Å; L301-L330 HydrophobicContact CD2-CD2 3.98Å; L301-I334 HydrophobicContact CD2-CD1 4.08Å |
| 302 | L | 95.8 | Very high | 94.5 | Very high | 33 Ų | 33 | 39.8 Ų | 39.8 | 17% | 0.173 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -25.2 | 176 | -75.6 | 171 | 0 | 0 | 0 | 114.4 | I298 Q300 L312 L317 R318 K321 | I298-L302 HydrophobicContact CG2-CD1 3.91Å; I298-L302 HydrophobicContact CG2-CG 4.45Å; I298-L302 WeakPolarHBondContact O-CB 3.33Å; I298-L302 VanDerWaalsContact O-CG 3.29Å; I298-L302 WeakPolarHBondContact O-CG 3.32Å; I298-L302 PolarHBondContact O-N 3.27Å; Q300-L302 VanDerWaalsContact C-N 3.32Å; Q300-L302 PolarHBondContact O-N 2.86Å; L302-L312 HydrophobicContact CD2-CB 4.43Å; L302-L312 HydrophobicContact CD2-CD1 4.41Å; L302-L317 HydrophobicContact CD2-CB 3.87Å; L302-L317 HydrophobicContact CG-CB 4.26Å; L302-R318 HydrophobicContact CD1-CG 4.23Å; L302-R318 HydrophobicContact CD2-CG 3.68Å; L302-K321 HydrophobicContact CD1-CD 4.34Å; L302-K321 HydrophobicContact CD1-CG 4.24Å |
| 303 | K | 95.8 | Very high | 94.3 | Very high | 133 Ų | 133 | 43.3 Ų | 43.3 | 58% | 0.578 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -93.7 | -38.7 | 179.2 | -73.1 | 176.2 | 178.3 | -176.8 | 0 | 112.7 | R258 E299 Q300 L301 | R258-K303 VanDerWaalsContact NH2-NZ 3.15Å; E299-K303 WeakPolarHBondContact O-CG 3.42Å; E299-K303 PolarHBondContact O-N 2.83Å; Q300-K303 PolarHBondContact O-N 3.05Å; L301-K303 VanDerWaalsContact C-N 3.26Å; L301-K303 PolarHBondContact O-N 3.18Å |
| 304 | G | 95.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -98.4 | -16.6 | -168 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q261 Q262 F271 Q300 V306 | Q261-G304 CarbonylContact C-O 3.49Å; Q261-G304 WeakPolarHBondContact CA-O 3.48Å; Q262-G304 PolarHBondContact N-O 3.5Å; F271-G304 VanDerWaalsContact CE1-C 3.5Å; Q300-G304 WeakPolarHBondContact O-CA 3.3Å; Q300-G304 PolarHBondContact O-N 3.13Å; G304-V306 PolarHBondContact O-N 3.49Å |
| 305 | A | 95.7 | Very high | 94 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | trans | -80.5 | 60.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L268 F271 L301 G307 S308 L312 | L268-A305 HydrophobicContact CD1-CB 3.59Å; F271-A305 HydrophobicContact CD1-CB 4.12Å; F271-A305 HydrophobicContact CE1-CB 4.02Å; L301-A305 HydrophobicContact CD1-CB 4.3Å; L301-A305 WeakPolarHBondContact O-CB 3.44Å; L301-A305 PolarHBondContact O-N 3.12Å; A305-G307 PolarHBondContact O-N 2.74Å; A305-S308 PolarHBondContact O-N 3.48Å; A305-S308 VanDerWaalsContact O-N 3.14Å; A305-L312 HydrophobicContact CB-CD1 4.07Å; A305-L312 HydrophobicContact CB-CD2 4.02Å; A305-L312 HydrophobicContact CB-CG 4.44Å | ||
| 306 | V | 88.7 | Confident | 93.9 | Very high | 80 Ų | 80 | 45.6 Ų | 45.6 | 49% | 0.485 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -4.1 | -173.2 | -67 | 0 | 0 | 0 | 0 | 115.3 | Q261 Q262 G304 | Q261-V306 HydrophobicContact CB-CG2 4.48Å; Q262-V306 HydrophobicContact CB-CG2 4.42Å; Q262-V306 WeakPolarHBondContact O-CG2 3.48Å; G304-V306 PolarHBondContact O-N 3.49Å |
| 307 | G | 85 | Confident | 93.7 | Very high | 62 Ų | 62 | 45.4 Ų | 45.4 | 64% | 0.639 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -126 | 11.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A305 | A305-G307 PolarHBondContact O-N 2.74Š|
| 308 | S | 92.5 | Very high | 93.5 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | trans | -134.4 | 26.4 | -172.3 | -60.3 | 0 | 0 | 0 | 0 | 113.8 | Q262 A305 L310 M311 L312 | Q262-S308 PolarHBondContact NE2-OG 3.36Å; Q262-S308 PolarHBondContact OE1-OG 3.23Å; A305-S308 PolarHBondContact O-N 3.48Å; A305-S308 VanDerWaalsContact O-N 3.14Å; S308-L310 VanDerWaalsContact C-N 3.29Å; S308-L310 PolarHBondContact O-N 3.31Å; S308-M311 WeakPolarHBondContact O-CB 3.37Å; S308-M311 PolarHBondContact O-N 3.19Å; S308-L312 WeakPolarHBondContact O-CG 3.37Å; S308-L312 PolarHBondContact O-N 2.91Å | ||
| 309 | D | 89.8 | Confident | 93.3 | Very high | 98 Ų | 98 | 60.8 Ų | 60.8 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -50.9 | -43.3 | -176.7 | -69.9 | -49.2 | 0 | 0 | 0 | 114 | M311 L312 I313 | D309-M311 VanDerWaalsContact C-N 3.34Å; D309-M311 PolarHBondContact O-N 3.35Å; D309-L312 PolarHBondContact O-N 3.03Å; D309-I313 VanDerWaalsContact O-CG1 3.31Å; D309-I313 WeakPolarHBondContact O-CG1 3.37Å; D309-I313 PolarHBondContact O-N 3.39Å |
| 310 | L | 89.7 | Confident | 93.1 | Very high | 101 Ų | 101 | 61.9 Ų | 61.9 | 53% | 0.529 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 179.1 | -176.3 | 62.8 | 0 | 0 | 0 | 111.5 | S308 I313 Q314 | S308-L310 VanDerWaalsContact C-N 3.29Å; S308-L310 PolarHBondContact O-N 3.31Å; L310-I313 WeakPolarHBondContact O-CB 3.43Å; L310-I313 PolarHBondContact O-N 3.03Å; L310-Q314 WeakPolarHBondContact O-CG 3.25Å; L310-Q314 PolarHBondContact O-N 3.42Å |
| 311 | M | 92.4 | Very high | 92.8 | Very high | 11 Ų | 11 | 66.5 Ų | 66.5 | 5% | 0.054 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 175.6 | -64.6 | -175 | 77 | 0 | 0 | 111.6 | L268 S308 D309 I313 Q314 L315 I334 E337 E338 E341 | L268-M311 HydrophobicContact CB-CE 4.49Å; L268-M311 HydrophobicContact CB-SD 4.2Å; L268-M311 HydrophobicContact CD2-CB 3.99Å; L268-M311 HydrophobicContact CD2-CE 4.17Å; L268-M311 HydrophobicContact CD2-SD 4.09Å; S308-M311 WeakPolarHBondContact O-CB 3.37Å; S308-M311 PolarHBondContact O-N 3.19Å; D309-M311 VanDerWaalsContact C-N 3.34Å; D309-M311 PolarHBondContact O-N 3.35Å; M311-I313 PolarHBondContact O-N 3.28Å; M311-Q314 PolarHBondContact O-N 2.99Å; M311-L315 VanDerWaalsContact O-CB 3.3Å; M311-L315 WeakPolarHBondContact O-CB 3.36Å; M311-L315 WeakPolarHBondContact O-CD1 3.46Å; M311-L315 WeakPolarHBondContact O-CG 3.24Å; M311-L315 PolarHBondContact O-N 2.94Å; M311-I334 HydrophobicContact CE-CG2 4.34Å; M311-E337 HydrophobicContact CE-CB 3.93Å; M311-E337 HydrophobicContact CE-CG 4.04Å; M311-E338 HydrophobicContact CE-CB 4.3Å; M311-E338 HydrophobicContact CE-CG 3.43Å; M311-E338 VanDerWaalsContact CE-CG 3.43Å; M311-E338 HydrophobicContact SD-CG 4.33Å; M311-E341 WeakPolarHBondContact CG-OE1 3.49Å |
| 312 | L | 94.3 | Very high | 92.5 | Very high | 9 Ų | 9 | 70.3 Ų | 70.3 | 5% | 0.047 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.7 | -34.8 | 177.1 | -55.3 | 177.2 | 0 | 0 | 0 | 111.7 | L268 L301 L302 A305 S308 D309 R316 L317 | L268-L312 HydrophobicContact CD1-CD2 4.39Å; L268-L312 HydrophobicContact CD2-CD2 4.15Å; L301-L312 HydrophobicContact CD2-CD2 4.46Å; L301-L312 HydrophobicContact CG-CD2 4.1Å; L302-L312 HydrophobicContact CD2-CB 4.43Å; L302-L312 HydrophobicContact CD2-CD1 4.41Å; A305-L312 HydrophobicContact CB-CD1 4.07Å; A305-L312 HydrophobicContact CB-CD2 4.02Å; A305-L312 HydrophobicContact CB-CG 4.44Å; S308-L312 WeakPolarHBondContact O-CG 3.37Å; S308-L312 PolarHBondContact O-N 2.91Å; D309-L312 PolarHBondContact O-N 3.03Å; L312-R316 PolarHBondContact O-N 3.13Å; L312-L317 HydrophobicContact CB-CD1 4.45Å; L312-L317 HydrophobicContact CD2-CD1 3.6Å; L312-L317 PolarHBondContact O-N 3.19Å |
| 313 | I | 93.2 | Very high | 92.4 | Very high | 115 Ų | 115 | 75.3 Ų | 75.3 | 59% | 0.59 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -70.6 | -49 | 175.1 | -66.3 | 164.3 | 0 | 0 | 0 | 110.6 | D309 L310 M311 L315 R316 | D309-I313 VanDerWaalsContact O-CG1 3.31Å; D309-I313 WeakPolarHBondContact O-CG1 3.37Å; D309-I313 PolarHBondContact O-N 3.39Å; L310-I313 WeakPolarHBondContact O-CB 3.43Å; L310-I313 PolarHBondContact O-N 3.03Å; M311-I313 PolarHBondContact O-N 3.28Å; I313-L315 VanDerWaalsContact C-N 3.28Å; I313-L315 PolarHBondContact O-N 3.37Å; I313-R316 WeakPolarHBondContact O-CA 3.37Å; I313-R316 PolarHBondContact O-N 3.28Å |
| 314 | Q | 92.3 | Very high | 92.4 | Very high | 61 Ų | 61 | 70.3 Ų | 70.3 | 29% | 0.285 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 178.9 | -73.7 | 165.9 | -39.2 | 0 | 0 | 112 | L310 M311 R316 E337 E341 | L310-Q314 WeakPolarHBondContact O-CG 3.25Å; L310-Q314 PolarHBondContact O-N 3.42Å; M311-Q314 PolarHBondContact O-N 2.99Å; Q314-R316 PolarHBondContact O-N 3.43Å; Q314-E337 HydrophobicContact CB-CG 4.45Å; Q314-E337 PolarHBondContact NE2-OE1 3.46Å; Q314-E337 VanDerWaalsContact NE2-OE1 3.16Å; Q314-E337 PolarHBondContact OE1-OE1 3.48Å; Q314-E341 PolarHBondContact OE1-OE1 3.11Å |
| 315 | L | 94 | Very high | 92.4 | Very high | 18 Ų | 18 | 70.5 Ų | 70.5 | 9% | 0.094 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -3.9 | 177 | -65 | 168.2 | 0 | 0 | 0 | 113.6 | L268 M311 I313 L317 E333 I334 E337 | L268-L315 HydrophobicContact CD2-CD1 4.34Å; M311-L315 VanDerWaalsContact O-CB 3.3Å; M311-L315 WeakPolarHBondContact O-CB 3.36Å; M311-L315 WeakPolarHBondContact O-CD1 3.46Å; M311-L315 WeakPolarHBondContact O-CG 3.24Å; M311-L315 PolarHBondContact O-N 2.94Å; I313-L315 VanDerWaalsContact C-N 3.28Å; I313-L315 PolarHBondContact O-N 3.37Å; L315-L317 HydrophobicContact CB-CD1 4.41Å; L315-L317 HydrophobicContact CB-CD2 3.77Å; L315-L317 HydrophobicContact CB-CG 3.76Å; L315-L317 PolarHBondContact O-N 2.92Å; L315-E333 HydrophobicContact CD2-CB 3.91Å; L315-I334 HydrophobicContact CD1-CB 4.48Å; L315-I334 HydrophobicContact CD1-CG1 3.51Å; L315-E337 HydrophobicContact CD2-CB 4.34Å |
| 316 | R | 94.6 | Very high | 92.5 | Very high | 159 Ų | 159 | 73.2 Ų | 73.2 | 60% | 0.6 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 37.4 | 178.9 | -55 | -175.5 | -173.7 | -171.8 | 0.5 | 113.6 | L312 I313 Q314 R318 E319 R320 | L312-R316 PolarHBondContact O-N 3.13Å; I313-R316 WeakPolarHBondContact O-CA 3.37Å; I313-R316 PolarHBondContact O-N 3.28Å; Q314-R316 PolarHBondContact O-N 3.43Å; R316-R318 PolarHBondContact O-N 3.3Å; R316-R318 VanDerWaalsContact O-N 3.16Å; R316-E319 WeakPolarHBondContact CD-OE2 3.39Å; R316-E319 PolarHBondContact O-N 3.47Å; R316-E319 VanDerWaalsContact O-N 3.12Å; R316-R320 PolarHBondContact O-N 2.89Å |
| 317 | L | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -25.2 | -171.6 | -59.9 | -175.3 | 0 | 0 | 0 | 113.3 | I298 L301 L302 L312 L315 L330 | I298-L317 HydrophobicContact CD1-CD2 3.98Å; L301-L317 HydrophobicContact CD2-CD1 3.67Å; L301-L317 HydrophobicContact CG-CD1 4.37Å; L302-L317 HydrophobicContact CD2-CB 3.87Å; L302-L317 HydrophobicContact CG-CB 4.26Å; L312-L317 HydrophobicContact CB-CD1 4.45Å; L312-L317 HydrophobicContact CD2-CD1 3.6Å; L312-L317 PolarHBondContact O-N 3.19Å; L315-L317 HydrophobicContact CB-CD1 4.41Å; L315-L317 HydrophobicContact CB-CD2 3.77Å; L315-L317 HydrophobicContact CB-CG 3.76Å; L315-L317 PolarHBondContact O-N 2.92Å; L317-L330 HydrophobicContact CD1-CD1 4.48Å; L317-L330 HydrophobicContact CD2-CD1 3.59Å |
| 318 | R | 92.6 | Very high | 93.5 | Very high | 184 Ų | 184 | 74.1 Ų | 74.1 | 69% | 0.694 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -38.9 | 175.7 | -67.3 | -174.5 | -179.8 | -158 | 1.1 | 112.5 | L302 R316 R320 K321 | L302-R318 HydrophobicContact CD1-CG 4.23Å; L302-R318 HydrophobicContact CD2-CG 3.68Å; R316-R318 PolarHBondContact O-N 3.3Å; R316-R318 VanDerWaalsContact O-N 3.16Å; R318-R320 VanDerWaalsContact C-N 3.34Å; R318-K321 WeakPolarHBondContact O-CG 3.26Å |
| 319 | E | 93.8 | Very high | 93.7 | Very high | 146 Ų | 146 | 77 Ų | 77 | 68% | 0.682 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -73.7 | -30.7 | -178.6 | -65.8 | 164.9 | -156.9 | 0 | 0 | 111.3 | R316 K321 | R316-E319 WeakPolarHBondContact CD-OE2 3.39Å; R316-E319 PolarHBondContact O-N 3.47Å; R316-E319 VanDerWaalsContact O-N 3.12Å; E319-K321 VanDerWaalsContact C-N 3.27Å; E319-K321 PolarHBondContact O-N 3.27Å |
| 320 | R | 91.9 | Very high | 94.1 | Very high | 70 Ų | 70 | 72.4 Ų | 72.4 | 26% | 0.264 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -83.1 | 5.6 | -176.3 | -62.2 | 173.4 | 74.1 | -178.6 | 8.8 | 114.2 | R316 R318 G322 N323 P324 E333 | R316-R320 PolarHBondContact O-N 2.89Å; R318-R320 VanDerWaalsContact C-N 3.34Å; R320-G322 PolarHBondContact O-N 3.5Å; R320-N323 CarbonylContact O-C 3.35Å; R320-N323 PolarHBondContact O-N 3.17Å; R320-N323 VanDerWaalsContact O-N 3.14Å; R320-N323 VanDerWaalsContact O-O 3.13Å; R320-P324 VanDerWaalsContact O-CA 3.28Å; R320-P324 WeakPolarHBondContact O-CA 3.36Å; R320-P324 VanDerWaalsContact O-N 3.12Å; R320-E333 IonicContact CZ-OE1 3.74Å; R320-E333 IonicContact CZ-OE2 3.6Å; R320-E333 IonicContact NH1-OE1 3.89Å; R320-E333 PolarHBondContact NH1-OE1 3.02Å; R320-E333 IonicContact NH1-OE2 3.7Å; R320-E333 PolarHBondContact NH1-OE2 3.24Å; R320-E333 IonicContact NH2-OE1 3.05Å; R320-E333 PolarHBondContact NH2-OE1 2.95Å; R320-E333 IonicContact NH2-OE2 3.62Å |
| 321 | K | 91.6 | Very high | 94.5 | Very high | 101 Ų | 101 | 68.7 Ų | 68.7 | 44% | 0.439 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -58 | -33.2 | 178 | -75.4 | -177.1 | 177.9 | -174.7 | 0 | 113.7 | I298 L302 R318 E319 | I298-K321 HydrophobicContact CG2-CG 4.18Å; L302-K321 HydrophobicContact CD1-CD 4.34Å; L302-K321 HydrophobicContact CD1-CG 4.24Å; R318-K321 WeakPolarHBondContact O-CG 3.26Å; E319-K321 VanDerWaalsContact C-N 3.27Å; E319-K321 PolarHBondContact O-N 3.27Å |
| 322 | G | 90.6 | Very high | 94.8 | Very high | 80 Ų | 80 | 75.8 Ų | 75.8 | 83% | 0.825 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -76.8 | -25 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | R320 | R320-G322 PolarHBondContact O-N 3.5Š|
| 323 | N | 93.4 | Very high | 94.9 | Very high | 137 Ų | 137 | 77.9 Ų | 77.9 | 73% | 0.733 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -139.6 | 76.7 | 175.7 | -172.9 | 21.9 | 0 | 0 | 0 | 109.3 | R320 | R320-N323 CarbonylContact O-C 3.35Å; R320-N323 PolarHBondContact O-N 3.17Å; R320-N323 VanDerWaalsContact O-N 3.14Å; R320-N323 VanDerWaalsContact O-O 3.13Å |
| 324 | P | 95.1 | Very high | 95.1 | Very high | 28 Ų | 28 | 72.4 Ų | 72.4 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 136.9 | -170.6 | 29 | -34.6 | 0 | 0 | 0 | 111.2 | N294 K295 I298 R320 | N294-P324 HydrophobicContact CB-CB 3.94Å; N294-P324 HydrophobicContact CB-CG 3.72Å; K295-P324 HydrophobicContact CB-CG 4.22Å; I298-P324 HydrophobicContact CG1-CB 3.85Å; R320-P324 VanDerWaalsContact O-CA 3.28Å; R320-P324 WeakPolarHBondContact O-CA 3.36Å; R320-P324 VanDerWaalsContact O-N 3.12Å |
| 325 | P | 95.7 | Very high | 95.4 | Very high | 6 Ų | 6 | 76.8 Ų | 76.8 | 4% | 0.039 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 159 | 175.1 | 26.1 | -33.5 | 0 | 0 | 0 | 112.4 | I298 E329 L330 | I298-P325 HydrophobicContact CD1-CG 4.03Å; P325-E329 HydrophobicContact CB-CB 4.11Å; P325-L330 HydrophobicContact CB-CB 4.4Å; P325-L330 HydrophobicContact CG-CB 4.09Å; P325-L330 HydrophobicContact CG-CD1 4.2Å |
| 326 | T | 96.9 | Very high | 95.5 | Very high | 58 Ų | 58 | 78.8 Ų | 78.8 | 36% | 0.356 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -67 | 162.7 | 169.6 | 65 | 0 | 0 | 0 | 0 | 111.1 | L328 E329 L330 | T326-L328 VanDerWaalsContact C-N 3.31Å; T326-L328 PolarHBondContact O-N 3.38Å; T326-E329 WeakPolarHBondContact CB-OE2 3.29Å; T326-E329 PolarHBondContact N-OE2 3.11Å; T326-E329 PolarHBondContact O-N 3.48Å; T326-E329 WeakPolarHBondContact OG1-CB 3.19Å; T326-E329 WeakPolarHBondContact OG1-CG 3.38Å; T326-E329 PolarHBondContact OG1-N 3.42Å; T326-E329 PolarHBondContact OG1-OE2 3.14Å; T326-L330 WeakPolarHBondContact O-CB 3.35Å; T326-L330 PolarHBondContact O-N 3.37Å |
| 327 | F | 97.5 | Very high | 95.5 | Very high | 40 Ų | 40 | 73 Ų | 73 | 18% | 0.175 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -53.9 | -46.7 | 177 | 169.5 | -109.3 | 0 | 0 | 0 | 112.5 | L272 R273 E276 L330 L331 | L272-F327 HydrophobicContact CD2-CD2 4.37Å; L272-F327 HydrophobicContact CD2-CE2 4.3Å; L272-F327 HydrophobicContact CG-CD2 4.24Å; L272-F327 HydrophobicContact CG-CE2 3.98Å; R273-F327 HydrophobicContact CG-CZ 4.31Å; E276-F327 HydrophobicContact CB-CD2 3.86Å; E276-F327 HydrophobicContact CB-CE2 3.52Å; E276-F327 HydrophobicContact CB-CZ 4.07Å; E276-F327 HydrophobicContact CG-CD1 4.32Å; E276-F327 HydrophobicContact CG-CD2 3.71Å; E276-F327 HydrophobicContact CG-CE1 4.33Å; E276-F327 HydrophobicContact CG-CE2 3.71Å; E276-F327 HydrophobicContact CG-CG 4.03Å; E276-F327 HydrophobicContact CG-CZ 4.03Å; E276-F327 WeakPolarHBondContact OE2-CD2 2.94Å; F327-L330 PolarHBondContact O-N 3.24Å; F327-L331 HydrophobicContact CE1-CD2 4.13Å; F327-L331 HydrophobicContact CZ-CD2 3.91Å; F327-L331 WeakPolarHBondContact O-CB 3.32Å; F327-L331 PolarHBondContact O-N 2.92Å |
| 328 | L | 97.6 | Very high | 95.5 | Very high | 121 Ų | 121 | 74.3 Ų | 74.3 | 63% | 0.634 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -70.1 | -39.8 | -175.8 | -66.5 | 178.9 | 0 | 0 | 0 | 112.5 | T326 R332 | T326-L328 VanDerWaalsContact C-N 3.31Å; T326-L328 PolarHBondContact O-N 3.38Å; L328-R332 WeakPolarHBondContact O-CB 3.29Å; L328-R332 PolarHBondContact O-N 2.91Å |
| 329 | E | 97.6 | Very high | 95.6 | Very high | 75 Ų | 75 | 72.3 Ų | 72.3 | 35% | 0.35 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.9 | -51.3 | 174.5 | -71.3 | 165.5 | 154.7 | 0 | 0 | 110.7 | P325 T326 L331 R332 E333 | P325-E329 HydrophobicContact CB-CB 4.11Å; T326-E329 WeakPolarHBondContact CB-OE2 3.29Å; T326-E329 PolarHBondContact N-OE2 3.11Å; T326-E329 PolarHBondContact O-N 3.48Å; T326-E329 WeakPolarHBondContact OG1-CB 3.19Å; T326-E329 WeakPolarHBondContact OG1-CG 3.38Å; T326-E329 PolarHBondContact OG1-N 3.42Å; T326-E329 PolarHBondContact OG1-OE2 3.14Å; E329-L331 VanDerWaalsContact C-N 3.34Å; E329-L331 PolarHBondContact O-N 3.13Å; E329-R332 PolarHBondContact O-N 3.07Å; E329-E333 VanDerWaalsContact O-CG 3.31Å; E329-E333 WeakPolarHBondContact O-CG 3.25Å; E329-E333 PolarHBondContact O-N 2.97Å |
| 330 | L | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 179.7 | -177.6 | 61.2 | 0 | 0 | 0 | 111.7 | L272 R297 I298 L301 L317 P325 T326 F327 R332 E333 I334 | L272-L330 HydrophobicContact CD1-CD2 3.99Å; L272-L330 HydrophobicContact CD2-CB 4.34Å; L272-L330 HydrophobicContact CD2-CD2 3.96Å; L272-L330 HydrophobicContact CD2-CG 3.86Å; R297-L330 HydrophobicContact CG-CD2 4.4Å; I298-L330 HydrophobicContact CD1-CD1 4.15Å; I298-L330 HydrophobicContact CD1-CD2 3.72Å; L301-L330 HydrophobicContact CD2-CD2 3.98Å; L317-L330 HydrophobicContact CD1-CD1 4.48Å; L317-L330 HydrophobicContact CD2-CD1 3.59Å; P325-L330 HydrophobicContact CB-CB 4.4Å; P325-L330 HydrophobicContact CG-CB 4.09Å; P325-L330 HydrophobicContact CG-CD1 4.2Å; T326-L330 WeakPolarHBondContact O-CB 3.35Å; T326-L330 PolarHBondContact O-N 3.37Å; F327-L330 PolarHBondContact O-N 3.24Å; L330-R332 VanDerWaalsContact C-N 3.34Å; L330-R332 PolarHBondContact O-N 3.06Å; L330-E333 PolarHBondContact O-N 2.85Å; L330-I334 HydrophobicContact CD1-CD1 4Å; L330-I334 HydrophobicContact CD1-CG1 4.35Å; L330-I334 HydrophobicContact CG-CD1 3.82Å; L330-I334 WeakPolarHBondContact O-CB 3.12Å; L330-I334 WeakPolarHBondContact O-CD1 3.4Å; L330-I334 VanDerWaalsContact O-CG1 3.29Å; L330-I334 WeakPolarHBondContact O-CG1 3.48Å; L330-I334 PolarHBondContact O-N 3.24Å |
| 331 | L | 98.2 | Very high | 95.4 | Very high | 23 Ų | 23 | 70.8 Ų | 70.8 | 12% | 0.12 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 178.1 | 179.1 | 61.7 | 0 | 0 | 0 | 111.9 | L272 F327 E329 R335 | L272-L331 HydrophobicContact CD2-CB 4.07Å; L272-L331 HydrophobicContact CD2-CD1 4.3Å; F327-L331 HydrophobicContact CE1-CD2 4.13Å; F327-L331 HydrophobicContact CZ-CD2 3.91Å; F327-L331 WeakPolarHBondContact O-CB 3.32Å; F327-L331 PolarHBondContact O-N 2.92Å; E329-L331 VanDerWaalsContact C-N 3.34Å; E329-L331 PolarHBondContact O-N 3.13Å; L331-R335 HydrophobicContact CD1-CG 4.4Å; L331-R335 WeakPolarHBondContact O-CB 3.48Å; L331-R335 VanDerWaalsContact O-CG 3.28Å; L331-R335 WeakPolarHBondContact O-CG 3.44Å; L331-R335 PolarHBondContact O-N 3.47Å |
| 332 | R | 98 | Very high | 95.2 | Very high | 160 Ų | 160 | 68.1 Ų | 68.1 | 60% | 0.604 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.7 | -46.4 | 177.2 | 177.1 | 179.7 | 58.1 | -142.3 | -5 | 111.3 | L328 E329 L330 R335 A336 | L328-R332 WeakPolarHBondContact O-CB 3.29Å; L328-R332 PolarHBondContact O-N 2.91Å; E329-R332 PolarHBondContact O-N 3.07Å; L330-R332 VanDerWaalsContact C-N 3.34Å; L330-R332 PolarHBondContact O-N 3.06Å; R332-R335 PolarHBondContact O-N 2.71Å; R332-A336 PolarHBondContact O-N 2.88Å |
| 333 | E | 97.2 | Very high | 95.2 | Very high | 54 Ų | 54 | 66.6 Ų | 66.6 | 25% | 0.252 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 178.4 | -68.8 | 169.7 | -166.5 | 0 | 0 | 111.6 | L315 R320 E329 L330 R335 A336 E337 | L315-E333 HydrophobicContact CD2-CB 3.91Å; R320-E333 IonicContact CZ-OE1 3.74Å; R320-E333 IonicContact CZ-OE2 3.6Å; R320-E333 IonicContact NH1-OE1 3.89Å; R320-E333 PolarHBondContact NH1-OE1 3.02Å; R320-E333 IonicContact NH1-OE2 3.7Å; R320-E333 PolarHBondContact NH1-OE2 3.24Å; R320-E333 IonicContact NH2-OE1 3.05Å; R320-E333 PolarHBondContact NH2-OE1 2.95Å; R320-E333 IonicContact NH2-OE2 3.62Å; E329-E333 VanDerWaalsContact O-CG 3.31Å; E329-E333 WeakPolarHBondContact O-CG 3.25Å; E329-E333 PolarHBondContact O-N 2.97Å; L330-E333 PolarHBondContact O-N 2.85Å; E333-R335 VanDerWaalsContact C-N 3.34Å; E333-R335 PolarHBondContact O-N 2.93Å; E333-A336 PolarHBondContact O-N 3.08Å; E333-E337 PolarHBondContact O-N 3.46Å |
| 334 | I | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 175.8 | -72.3 | 163.3 | 0 | 0 | 0 | 110.6 | L268 L272 L301 M311 L315 L330 A336 E337 E338 | L268-I334 HydrophobicContact CB-CG2 3.87Å; L268-I334 HydrophobicContact CD2-CD1 4.24Å; L268-I334 HydrophobicContact CD2-CG1 4.08Å; L268-I334 HydrophobicContact CD2-CG2 4.07Å; L268-I334 HydrophobicContact CG-CD1 4.17Å; L268-I334 HydrophobicContact CG-CG1 4.42Å; L268-I334 HydrophobicContact CG-CG2 3.94Å; L272-I334 HydrophobicContact CB-CD1 4.48Å; L272-I334 HydrophobicContact CD2-CD1 3.58Å; L301-I334 HydrophobicContact CD2-CD1 4.08Å; M311-I334 HydrophobicContact CE-CG2 4.34Å; L315-I334 HydrophobicContact CD1-CB 4.48Å; L315-I334 HydrophobicContact CD1-CG1 3.51Å; L330-I334 HydrophobicContact CD1-CD1 4Å; L330-I334 HydrophobicContact CD1-CG1 4.35Å; L330-I334 HydrophobicContact CG-CD1 3.82Å; L330-I334 WeakPolarHBondContact O-CB 3.12Å; L330-I334 WeakPolarHBondContact O-CD1 3.4Å; L330-I334 VanDerWaalsContact O-CG1 3.29Å; L330-I334 WeakPolarHBondContact O-CG1 3.48Å; L330-I334 PolarHBondContact O-N 3.24Å; I334-A336 VanDerWaalsContact C-N 3.29Å; I334-A336 PolarHBondContact O-N 3.38Å; I334-E337 PolarHBondContact O-N 2.9Å; I334-E338 HydrophobicContact CG2-CG 4.15Å; I334-E338 WeakPolarHBondContact O-CB 3.26Å; I334-E338 VanDerWaalsContact O-CG 3.29Å; I334-E338 WeakPolarHBondContact O-CG 3.39Å; I334-E338 PolarHBondContact O-N 3.2Å |
| 335 | R | 97.6 | Very high | 94.1 | Very high | 152 Ų | 152 | 68.1 Ų | 68.1 | 57% | 0.574 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.7 | -38.1 | 179.3 | -76 | -179.4 | 66 | -172.1 | -1.7 | 112.6 | L331 R332 E333 E339 | L331-R335 HydrophobicContact CD1-CG 4.4Å; L331-R335 WeakPolarHBondContact O-CB 3.48Å; L331-R335 VanDerWaalsContact O-CG 3.28Å; L331-R335 WeakPolarHBondContact O-CG 3.44Å; L331-R335 PolarHBondContact O-N 3.47Å; R332-R335 PolarHBondContact O-N 2.71Å; E333-R335 VanDerWaalsContact C-N 3.34Å; E333-R335 PolarHBondContact O-N 2.93Å; R335-E339 WeakPolarHBondContact O-CB 3.26Å; R335-E339 PolarHBondContact O-N 3.23Å; R335-E339 VanDerWaalsContact O-N 3.08Å |
| 336 | A | 96.4 | Very high | 93.3 | Very high | 61 Ų | 61 | 76.1 Ų | 76.1 | 50% | 0.504 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | R332 E333 I334 E339 Y340 | R332-A336 PolarHBondContact O-N 2.88Å; E333-A336 PolarHBondContact O-N 3.08Å; I334-A336 VanDerWaalsContact C-N 3.29Å; I334-A336 PolarHBondContact O-N 3.38Å; A336-E339 PolarHBondContact O-N 2.94Å; A336-Y340 WeakPolarHBondContact O-CB 3.33Å; A336-Y340 PolarHBondContact O-N 2.89Å |
| 337 | E | 95.2 | Very high | 92.1 | Very high | 36 Ų | 36 | 80 Ų | 80 | 17% | 0.168 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67 | -41.6 | 176.5 | -165.1 | 63.4 | -138.4 | 0 | 0 | 111.6 | M311 Q314 L315 E333 I334 E339 Y340 E341 | M311-E337 HydrophobicContact CE-CB 3.93Å; M311-E337 HydrophobicContact CE-CG 4.04Å; Q314-E337 HydrophobicContact CB-CG 4.45Å; Q314-E337 PolarHBondContact NE2-OE1 3.46Å; Q314-E337 VanDerWaalsContact NE2-OE1 3.16Å; Q314-E337 PolarHBondContact OE1-OE1 3.48Å; L315-E337 HydrophobicContact CD2-CB 4.34Å; E333-E337 PolarHBondContact O-N 3.46Å; I334-E337 PolarHBondContact O-N 2.9Å; E337-E339 VanDerWaalsContact C-N 3.28Å; E337-E339 PolarHBondContact O-N 3.28Å; E337-Y340 WeakPolarHBondContact O-CB 3.38Å; E337-Y340 PolarHBondContact O-N 3.31Å; E337-Y340 VanDerWaalsContact O-N 3.17Å; E337-Y340 WeakPolarHBondContact OE1-CD1 3.43Å; E337-E341 WeakPolarHBondContact O-CG 3.46Å; E337-E341 PolarHBondContact O-N 2.6Å |
| 338 | E | 95.1 | Very high | 89.9 | Confident | 28 Ų | 28 | 81.7 Ų | 81.7 | 13% | 0.131 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -57.6 | -40.9 | 174.6 | -73.4 | 176.8 | 167.7 | 0 | 0 | 111.8 | K267 L268 S269 M311 I334 A342 | K267-E338 WeakPolarHBondContact CB-OE1 3.31Å; L268-E338 PolarHBondContact N-OE1 2.62Å; L268-E338 VanDerWaalsContact N-OE1 3.1Å; S269-E338 WeakPolarHBondContact CB-OE1 3.41Å; S269-E338 WeakPolarHBondContact CB-OE2 3.36Å; S269-E338 PolarHBondContact N-OE1 3.35Å; S269-E338 PolarHBondContact OG-OE1 3.23Å; S269-E338 PolarHBondContact OG-OE2 3.16Å; M311-E338 HydrophobicContact CE-CB 4.3Å; M311-E338 HydrophobicContact CE-CG 3.43Å; M311-E338 VanDerWaalsContact CE-CG 3.43Å; M311-E338 HydrophobicContact SD-CG 4.33Å; I334-E338 HydrophobicContact CG2-CG 4.15Å; I334-E338 WeakPolarHBondContact O-CB 3.26Å; I334-E338 VanDerWaalsContact O-CG 3.29Å; I334-E338 WeakPolarHBondContact O-CG 3.39Å; I334-E338 PolarHBondContact O-N 3.2Å; E338-A342 VanDerWaalsContact O-CB 3.25Å; E338-A342 WeakPolarHBondContact O-CB 3.47Å; E338-A342 PolarHBondContact O-N 3.04Å |
| 339 | E | 94.2 | Very high | 87.5 | Confident | 142 Ų | 142 | 80.7 Ų | 80.7 | 66% | 0.664 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -72.2 | -37.3 | 177.6 | -176.8 | 154.1 | -147.6 | 0 | 0 | 112.3 | R335 A336 E337 A342 S343 | R335-E339 WeakPolarHBondContact O-CB 3.26Å; R335-E339 PolarHBondContact O-N 3.23Å; R335-E339 VanDerWaalsContact O-N 3.08Å; A336-E339 PolarHBondContact O-N 2.94Å; E337-E339 VanDerWaalsContact C-N 3.28Å; E337-E339 PolarHBondContact O-N 3.28Å; E339-A342 PolarHBondContact O-N 2.93Å; E339-S343 WeakPolarHBondContact O-CB 3.48Å; E339-S343 PolarHBondContact O-N 3.04Å; E339-S343 PolarHBondContact O-OG 3.49Å |
| 340 | Y | 91.8 | Very high | 84.9 | Confident | 132 Ų | 132 | 82.2 Ų | 82.2 | 52% | 0.518 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 172.9 | -179.2 | -106 | 0 | 0 | 0 | 111.5 | A336 E337 S343 R344 | A336-Y340 WeakPolarHBondContact O-CB 3.33Å; A336-Y340 PolarHBondContact O-N 2.89Å; E337-Y340 WeakPolarHBondContact O-CB 3.38Å; E337-Y340 PolarHBondContact O-N 3.31Å; E337-Y340 VanDerWaalsContact O-N 3.17Å; E337-Y340 WeakPolarHBondContact OE1-CD1 3.43Å; Y340-S343 WeakPolarHBondContact O-CB 3.43Å; Y340-S343 PolarHBondContact O-N 3.36Å; Y340-R344 HydrophobicContact CD1-CG 4.49Å; Y340-R344 HydrophobicContact CE1-CG 4.14Å; Y340-R344 HydrophobicContact CE2-CG 4.49Å; Y340-R344 WeakPolarHBondContact O-CG 3.34Å; Y340-R344 PolarHBondContact O-N 3.37Å |
| 341 | E | 88.6 | Confident | 82.3 | Confident | 52 Ų | 52 | 88.6 Ų | 88.6 | 24% | 0.243 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 175.3 | -73.1 | -165.6 | 155.4 | 0 | 0 | 112.1 | M311 Q314 E337 S343 R344 A345 | M311-E341 WeakPolarHBondContact CG-OE1 3.49Å; Q314-E341 PolarHBondContact OE1-OE1 3.11Å; E337-E341 WeakPolarHBondContact O-CG 3.46Å; E337-E341 PolarHBondContact O-N 2.6Å; E341-S343 PolarHBondContact O-N 3.04Å; E341-R344 PolarHBondContact O-N 3.26Å; E341-A345 WeakPolarHBondContact O-CB 3.46Å; E341-A345 PolarHBondContact O-N 3.38Å |
| 342 | A | 88.9 | Confident | 79.5 | Confident | 45 Ų | 45 | 96.5 Ų | 96.5 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -34.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | E338 E339 K346 | E338-A342 VanDerWaalsContact O-CB 3.25Å; E338-A342 WeakPolarHBondContact O-CB 3.47Å; E338-A342 PolarHBondContact O-N 3.04Å; E339-A342 PolarHBondContact O-N 2.93Å; A342-K346 WeakPolarHBondContact O-CD 3.36Å; A342-K346 VanDerWaalsContact O-CG 3.26Å; A342-K346 WeakPolarHBondContact O-CG 3.47Å; A342-K346 PolarHBondContact O-N 3.42Å |
| 343 | S | 88.9 | Confident | 76.6 | Confident | 48 Ų | 48 | 91.9 Ų | 91.9 | 34% | 0.336 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71 | -41.7 | 174.9 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | E339 Y340 E341 K346 L347 | E339-S343 WeakPolarHBondContact O-CB 3.48Å; E339-S343 PolarHBondContact O-N 3.04Å; E339-S343 PolarHBondContact O-OG 3.49Å; Y340-S343 WeakPolarHBondContact O-CB 3.43Å; Y340-S343 PolarHBondContact O-N 3.36Å; E341-S343 PolarHBondContact O-N 3.04Å; S343-K346 WeakPolarHBondContact O-CB 3.2Å; S343-K346 PolarHBondContact O-N 3.25Å; S343-L347 WeakPolarHBondContact O-CB 3.35Å; S343-L347 WeakPolarHBondContact O-CG 3.27Å; S343-L347 PolarHBondContact O-N 3.34Å |
| 344 | R | 84.7 | Confident | 73.7 | Confident | 128 Ų | 128 | 95.6 Ų | 95.6 | 48% | 0.483 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 173.8 | -75 | -173.8 | 65.9 | -132.7 | 1.6 | 112.7 | Y340 E341 K346 L347 S348 | Y340-R344 HydrophobicContact CD1-CG 4.49Å; Y340-R344 HydrophobicContact CE1-CG 4.14Å; Y340-R344 HydrophobicContact CE2-CG 4.49Å; Y340-R344 WeakPolarHBondContact O-CG 3.34Å; Y340-R344 PolarHBondContact O-N 3.37Å; E341-R344 PolarHBondContact O-N 3.26Å; R344-K346 PolarHBondContact O-N 3.48Å; R344-L347 CarbonylContact O-C 3.55Å; R344-L347 PolarHBondContact O-N 2.96Å; R344-L347 VanDerWaalsContact O-N 3.08Å; R344-S348 PolarHBondContact O-N 3.37Å; R344-S348 PolarHBondContact O-OG 2.98Å |
| 345 | A | 80.6 | Confident | 70.7 | Confident | 69 Ų | 69 | 102.9 Ų | 102.9 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.3 | -30.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E341 S348 | E341-A345 WeakPolarHBondContact O-CB 3.46Å; E341-A345 PolarHBondContact O-N 3.38Å; A345-S348 PolarHBondContact O-OG 3.22Å |
| 346 | K | 79.1 | Confident | 67.8 | Low | 174 Ų | 174 | 101 Ų | 101 | 76% | 0.757 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -76.2 | -32.6 | 172.3 | -66.7 | 165.3 | -171 | 172.6 | 0 | 112.5 | A342 S343 R344 | A342-K346 WeakPolarHBondContact O-CD 3.36Å; A342-K346 VanDerWaalsContact O-CG 3.26Å; A342-K346 WeakPolarHBondContact O-CG 3.47Å; A342-K346 PolarHBondContact O-N 3.42Å; S343-K346 WeakPolarHBondContact O-CB 3.2Å; S343-K346 PolarHBondContact O-N 3.25Å; R344-K346 PolarHBondContact O-N 3.48Å |
| 347 | L | 71.9 | Confident | 64.8 | Low | 140 Ų | 140 | 106.1 Ų | 106.1 | 73% | 0.733 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -88.1 | -6.8 | 179.1 | -69.8 | 172.8 | 0 | 0 | 0 | 114 | S343 R344 P349 | S343-L347 WeakPolarHBondContact O-CB 3.35Å; S343-L347 WeakPolarHBondContact O-CG 3.27Å; S343-L347 PolarHBondContact O-N 3.34Å; R344-L347 CarbonylContact O-C 3.55Å; R344-L347 PolarHBondContact O-N 2.96Å; R344-L347 VanDerWaalsContact O-N 3.08Å; L347-P349 WeakPolarHBondContact O-CD 3.09Å |
| 348 | S | 50.8 | Low | 62.4 | Low | 75 Ų | 75 | 109.2 Ų | 109.2 | 52% | 0.524 | 59% | 0.591 | S | S | . | * | trans | -86.6 | 85.6 | 162.8 | 59.6 | 0 | 0 | 0 | 0 | 107.9 | R344 A345 S350 | R344-S348 PolarHBondContact O-N 3.37Å; R344-S348 PolarHBondContact O-OG 2.98Å; A345-S348 PolarHBondContact O-OG 3.22Å; S348-S350 PolarHBondContact O-N 3.19Å | ||
| 349 | P | 47.5 | Very low | 59.8 | Low | 100 Ų | 100 | 114.1 Ų | 114.1 | 65% | 0.649 | 61% | 0.614 | S | S | * | * | trans | -55.3 | 138.9 | 151 | 30 | -30.7 | 0 | 0 | 0 | 104.5 | L347 V351 | L347-P349 WeakPolarHBondContact O-CD 3.09Å; P349-V351 PolarHBondContact O-N 2.91Å | ||
| 350 | S | 43.6 | Very low | 57.6 | Low | 108 Ų | 108 | 112.1 Ų | 112.1 | 76% | 0.755 | 61% | 0.607 | S | S | * | * | trans | -34.5 | 105 | 169.3 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | S348 R352 | S348-S350 PolarHBondContact O-N 3.19Å; S350-R352 PolarHBondContact O-N 3.21Å | ||
| 351 | V | 41.8 | Very low | 55.7 | Low | 134 Ų | 134 | 112.1 Ų | 112.1 | 81% | 0.812 | 62% | 0.616 | S | S | * | * | trans | -66.2 | 92.4 | 159.2 | 177.9 | 0 | 0 | 0 | 0 | 100.2 | P349 A353 | P349-V351 PolarHBondContact O-N 2.91Å; V351-A353 PolarHBondContact O-N 2.77Å | ||
| 352 | R | 40.1 | Very low | 53.8 | Low | 189 Ų | 189 | 115.2 Ų | 115.2 | 71% | 0.713 | 63% | 0.63 | S | S | * | * | trans | -53.1 | 102.4 | 162.7 | -144.9 | 177.6 | -161.2 | 167.6 | 7.3 | 101.4 | S350 V354 | S350-R352 PolarHBondContact O-N 3.21Å; R352-V354 VanDerWaalsContact C-N 3.29Å; R352-V354 PolarHBondContact O-N 3.5Å | ||
| 353 | A | 38 | Very low | 52 | Low | 62 Ų | 62 | 116.2 Ų | 116.2 | 51% | 0.512 | 63% | 0.629 | S | S | . | * | trans | -46.2 | 115.1 | 156 | 0 | 0 | 0 | 0 | 0 | 102.7 | V351 H355 | V351-A353 PolarHBondContact O-N 2.77Å; A353-H355 PolarHBondContact O-N 3.33Å | ||
| 354 | V | 35.1 | Very low | 50.4 | Low | 133 Ų | 133 | 118.3 Ų | 118.3 | 81% | 0.806 | 63% | 0.634 | S | S | * | * | trans | -68.8 | 74.7 | 166.6 | -179.6 | 0 | 0 | 0 | 0 | 103.8 | R352 P356 | R352-V354 VanDerWaalsContact C-N 3.29Å; R352-V354 PolarHBondContact O-N 3.5Å; V354-P356 WeakPolarHBondContact O-CD 3.5Å | ||
| 355 | H | 35.7 | Very low | 49.4 | Very low | 153 Ų | 153 | 115.3 Ų | 115.3 | 71% | 0.708 | 63% | 0.633 | S | S | * | * | trans | -61.8 | 121.1 | 145.7 | -73.4 | -30.3 | 0 | 0 | 0 | 103.9 | A353 K357 | A353-H355 PolarHBondContact O-N 3.33Å; H355-K357 PolarHBondContact O-N 3.06Å | ||
| 356 | P | 36.1 | Very low | 48.8 | Very low | 113 Ų | 113 | 116.9 Ų | 116.9 | 73% | 0.734 | 63% | 0.628 | S | S | * | * | trans | -58.4 | 102.4 | 165.8 | 19.4 | -19.2 | 0 | 0 | 0 | 105.1 | V354 P358 | V354-P356 WeakPolarHBondContact O-CD 3.5Å; P356-P358 WeakPolarHBondContact O-CD 3.42Å | ||
| 357 | K | 33.5 | Very low | 48.4 | Very low | 167 Ų | 167 | 112.6 Ų | 112.6 | 73% | 0.726 | 61% | 0.613 | S | S | * | * | trans | -56.1 | 123.4 | 165.2 | -100.6 | -175.8 | 173.3 | -175.7 | 0 | 104.7 | H355 Q359 | H355-K357 PolarHBondContact O-N 3.06Å; K357-Q359 VanDerWaalsContact C-N 3.32Å; K357-Q359 PolarHBondContact O-N 3.17Å | ||
| 358 | P | 43.6 | Very low | 48.2 | Very low | 102 Ų | 102 | 111.9 Ų | 111.9 | 66% | 0.662 | 61% | 0.605 | S | S | * | * | trans | -62.1 | 104.5 | 167.5 | -7.8 | 22.3 | 0 | 0 | 0 | 105.6 | P356 L360 | P356-P358 WeakPolarHBondContact O-CD 3.42Å; P358-L360 HydrophobicContact CB-CB 4.43Å; P358-L360 HydrophobicContact CB-CD1 3.81Å; P358-L360 HydrophobicContact CB-CG 4.26Å; P358-L360 PolarHBondContact O-N 3.32Å | ||
| 359 | Q | 41.1 | Very low | 49.4 | Very low | 131 Ų | 131 | 111.2 Ų | 111.2 | 61% | 0.612 | 60% | 0.601 | S | S | * | * | trans | -70 | 68.9 | 160.6 | -83.6 | -159 | -44.4 | 0 | 0 | 107.3 | K357 | K357-Q359 VanDerWaalsContact C-N 3.32Å; K357-Q359 PolarHBondContact O-N 3.17Å | ||
| 360 | L | 48.2 | Very low | 50.5 | Low | 99 Ų | 99 | 110.8 Ų | 110.8 | 52% | 0.518 | 59% | 0.592 | S | S | . | * | trans | -88.6 | -35.2 | 174.2 | -95.3 | 157.7 | 0 | 0 | 0 | 110.6 | P358 Q364 | P358-L360 HydrophobicContact CB-CB 4.43Å; P358-L360 HydrophobicContact CB-CD1 3.81Å; P358-L360 HydrophobicContact CB-CG 4.26Å; P358-L360 PolarHBondContact O-N 3.32Å; L360-Q364 WeakPolarHBondContact O-CB 3.37Å; L360-Q364 WeakPolarHBondContact O-CG 3.33Å; L360-Q364 PolarHBondContact O-N 3.37Å | ||
| 361 | D | 51.8 | Low | 51.9 | Low | 132 Ų | 132 | 114.3 Ų | 114.3 | 71% | 0.706 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -84.1 | -39 | -169.2 | -60.8 | -25.6 | 0 | 0 | 0 | 114.1 | S365 | D361-S365 PolarHBondContact O-N 3.15Å |
| 362 | H | 48.3 | Very low | 53.5 | Low | 118 Ų | 118 | 110.8 Ų | 110.8 | 55% | 0.546 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70 | -46.5 | 178 | -163.9 | 51 | 0 | 0 | 0 | 111 | Q364 S365 E366 | H362-Q364 VanDerWaalsContact C-N 3.34Å; H362-Q364 PolarHBondContact O-N 3.21Å; H362-S365 PolarHBondContact O-N 2.87Å; H362-S365 PolarHBondContact O-OG 2.54Å; H362-E366 PolarHBondContact O-N 3.19Å; H362-E366 VanDerWaalsContact O-N 3.08Å |
| 363 | N | 50.8 | Low | 55.3 | Low | 65 Ų | 65 | 106.7 Ų | 106.7 | 35% | 0.348 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.8 | -30.9 | 177.8 | -69.8 | 9 | 0 | 0 | 0 | 112 | I367 | N363-I367 HydrophobicContact CB-CD1 4.37Å; N363-I367 WeakPolarHBondContact O-CB 3.21Å; N363-I367 VanDerWaalsContact O-CD1 3.25Å; N363-I367 WeakPolarHBondContact O-CD1 3.41Å; N363-I367 WeakPolarHBondContact O-CG1 3.45Å; N363-I367 PolarHBondContact O-N 3.16Å |
| 364 | Q | 55.8 | Low | 57.2 | Low | 93 Ų | 93 | 108.3 Ų | 108.3 | 44% | 0.435 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.6 | -41.3 | 173.2 | -87.3 | -176 | 19.9 | 0 | 0 | 112.6 | L360 H362 E366 Q368 | L360-Q364 WeakPolarHBondContact O-CB 3.37Å; L360-Q364 WeakPolarHBondContact O-CG 3.33Å; L360-Q364 PolarHBondContact O-N 3.37Å; H362-Q364 VanDerWaalsContact C-N 3.34Å; H362-Q364 PolarHBondContact O-N 3.21Å; Q364-E366 VanDerWaalsContact C-N 3.31Å; Q364-E366 PolarHBondContact O-N 3.14Å; Q364-Q368 VanDerWaalsContact O-CB 3.25Å; Q364-Q368 WeakPolarHBondContact O-CB 3.4Å; Q364-Q368 WeakPolarHBondContact O-CG 3.5Å; Q364-Q368 PolarHBondContact O-N 3.03Å |
| 365 | S | 64.4 | Low | 59.2 | Low | 65 Ų | 65 | 109.8 Ų | 109.8 | 46% | 0.455 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.7 | -38.4 | 176.2 | 71.2 | 0 | 0 | 0 | 0 | 112 | D361 H362 Q368 S369 | D361-S365 PolarHBondContact O-N 3.15Å; H362-S365 PolarHBondContact O-N 2.87Å; H362-S365 PolarHBondContact O-OG 2.54Å; S365-Q368 PolarHBondContact O-N 2.74Å; S365-S369 WeakPolarHBondContact O-CB 3.45Å; S365-S369 PolarHBondContact O-N 3.28Å |
| 366 | E | 68.6 | Low | 61.2 | Low | 102 Ų | 102 | 108.2 Ų | 108.2 | 48% | 0.477 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -73.5 | -41.1 | -179.3 | -144 | 168.4 | -154.9 | 0 | 0 | 110.6 | H362 Q364 Q368 S369 L370 | H362-E366 PolarHBondContact O-N 3.19Å; H362-E366 VanDerWaalsContact O-N 3.08Å; Q364-E366 VanDerWaalsContact C-N 3.31Å; Q364-E366 PolarHBondContact O-N 3.14Å; E366-Q368 VanDerWaalsContact C-N 3.34Å; E366-Q368 PolarHBondContact O-N 3.43Å; E366-S369 PolarHBondContact O-N 3.25Å; E366-L370 VanDerWaalsContact O-CB 3.31Å; E366-L370 WeakPolarHBondContact O-CB 3.42Å; E366-L370 WeakPolarHBondContact O-CG 3.38Å; E366-L370 PolarHBondContact O-N 3.34Å |
| 367 | I | 69.1 | Low | 63 | Low | 84 Ų | 84 | 107.3 Ų | 107.3 | 43% | 0.431 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.2 | -35.3 | 173.1 | -68.8 | 164.9 | 0 | 0 | 0 | 111.4 | N363 R371 | N363-I367 HydrophobicContact CB-CD1 4.37Å; N363-I367 WeakPolarHBondContact O-CB 3.21Å; N363-I367 VanDerWaalsContact O-CD1 3.25Å; N363-I367 WeakPolarHBondContact O-CD1 3.41Å; N363-I367 WeakPolarHBondContact O-CG1 3.45Å; N363-I367 PolarHBondContact O-N 3.16Å; I367-R371 HydrophobicContact CG2-CG 4.49Å; I367-R371 VanDerWaalsContact O-CB 3.26Å; I367-R371 WeakPolarHBondContact O-CB 3.48Å; I367-R371 VanDerWaalsContact O-CG 3.23Å; I367-R371 WeakPolarHBondContact O-CG 3.34Å; I367-R371 PolarHBondContact O-N 3.39Å |
| 368 | Q | 67.7 | Low | 64.7 | Low | 124 Ų | 124 | 106.6 Ų | 106.6 | 58% | 0.579 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.5 | -40.4 | 175 | -75.6 | 175.5 | 22.6 | 0 | 0 | 111.8 | Q364 S365 E366 R371 A372 | Q364-Q368 VanDerWaalsContact O-CB 3.25Å; Q364-Q368 WeakPolarHBondContact O-CB 3.4Å; Q364-Q368 WeakPolarHBondContact O-CG 3.5Å; Q364-Q368 PolarHBondContact O-N 3.03Å; S365-Q368 PolarHBondContact O-N 2.74Å; E366-Q368 VanDerWaalsContact C-N 3.34Å; E366-Q368 PolarHBondContact O-N 3.43Å; Q368-R371 PolarHBondContact O-N 3.03Å; Q368-A372 PolarHBondContact O-N 3.13Å |
| 369 | S | 75.7 | Confident | 66.1 | Low | 62 Ų | 62 | 105.4 Ų | 105.4 | 43% | 0.434 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.8 | -49.7 | 173 | -165.8 | 0 | 0 | 0 | 0 | 111.2 | S365 E366 R371 A372 E373 | S365-S369 WeakPolarHBondContact O-CB 3.45Å; S365-S369 PolarHBondContact O-N 3.28Å; E366-S369 PolarHBondContact O-N 3.25Å; S369-R371 VanDerWaalsContact C-N 3.3Å; S369-R371 PolarHBondContact O-N 3.37Å; S369-A372 WeakPolarHBondContact O-CB 3.43Å; S369-A372 PolarHBondContact O-N 2.91Å; S369-E373 PolarHBondContact O-N 3.27Å |
| 370 | L | 72.5 | Confident | 67.6 | Low | 90 Ų | 90 | 104.5 Ų | 104.5 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64 | -33.8 | 178.1 | -69.8 | 169.6 | 0 | 0 | 0 | 112.1 | E366 I374 | E366-L370 VanDerWaalsContact O-CB 3.31Å; E366-L370 WeakPolarHBondContact O-CB 3.42Å; E366-L370 WeakPolarHBondContact O-CG 3.38Å; E366-L370 PolarHBondContact O-N 3.34Å; L370-I374 WeakPolarHBondContact O-CB 3.35Å; L370-I374 WeakPolarHBondContact O-CD1 3.37Å; L370-I374 WeakPolarHBondContact O-CG1 3.47Å; L370-I374 PolarHBondContact O-N 2.69Å |
| 371 | R | 72.3 | Confident | 68.5 | Low | 183 Ų | 183 | 106.9 Ų | 106.9 | 69% | 0.691 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.6 | -35.3 | 172.7 | -82.3 | 178.3 | 179.3 | 178.4 | 1.8 | 112.6 | I367 Q368 S369 K375 | I367-R371 HydrophobicContact CG2-CG 4.49Å; I367-R371 VanDerWaalsContact O-CB 3.26Å; I367-R371 WeakPolarHBondContact O-CB 3.48Å; I367-R371 VanDerWaalsContact O-CG 3.23Å; I367-R371 WeakPolarHBondContact O-CG 3.34Å; I367-R371 PolarHBondContact O-N 3.39Å; Q368-R371 PolarHBondContact O-N 3.03Å; S369-R371 VanDerWaalsContact C-N 3.3Å; S369-R371 PolarHBondContact O-N 3.37Å; R371-K375 WeakPolarHBondContact O-CB 3.37Å; R371-K375 PolarHBondContact O-N 3.03Å |
| 372 | A | 74.9 | Confident | 69.1 | Low | 60 Ų | 60 | 103.3 Ų | 103.3 | 50% | 0.496 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.5 | -45.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q368 S369 I374 K375 E376 | Q368-A372 PolarHBondContact O-N 3.13Å; S369-A372 WeakPolarHBondContact O-CB 3.43Å; S369-A372 PolarHBondContact O-N 2.91Å; A372-I374 PolarHBondContact O-N 2.92Å; A372-K375 WeakPolarHBondContact O-CB 3.48Å; A372-K375 PolarHBondContact O-N 3.28Å; A372-K375 VanDerWaalsContact O-N 3.12Å; A372-E376 PolarHBondContact O-N 2.9Å |
| 373 | E | 78.7 | Confident | 69.8 | Low | 102 Ų | 102 | 100.1 Ų | 100.1 | 48% | 0.477 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 175.2 | -75.7 | 172 | -151.1 | 0 | 0 | 112.1 | S369 K375 E376 V377 | S369-E373 PolarHBondContact O-N 3.27Å; E373-K375 VanDerWaalsContact C-N 3.27Å; E373-K375 PolarHBondContact O-N 3.38Å; E373-E376 PolarHBondContact O-N 3.25Å; E373-V377 WeakPolarHBondContact O-CB 3.37Å; E373-V377 WeakPolarHBondContact O-CG2 3.25Å; E373-V377 PolarHBondContact O-N 3.24Å |
| 374 | I | 78.4 | Confident | 70.2 | Confident | 96 Ų | 96 | 102.9 Ų | 102.9 | 49% | 0.492 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.8 | -34.4 | 175.6 | -71.2 | 166.6 | 0 | 0 | 0 | 111.2 | L370 A372 K378 | L370-I374 WeakPolarHBondContact O-CB 3.35Å; L370-I374 WeakPolarHBondContact O-CD1 3.37Å; L370-I374 WeakPolarHBondContact O-CG1 3.47Å; L370-I374 PolarHBondContact O-N 2.69Å; A372-I374 PolarHBondContact O-N 2.92Å; I374-K378 HydrophobicContact CG2-CD 4.12Å; I374-K378 HydrophobicContact CG2-CG 4.48Å; I374-K378 VanDerWaalsContact O-CB 3.28Å; I374-K378 WeakPolarHBondContact O-CB 3.39Å; I374-K378 VanDerWaalsContact O-CG 3.25Å; I374-K378 WeakPolarHBondContact O-CG 3.47Å; I374-K378 PolarHBondContact O-N 3.07Å |
| 375 | K | 75.8 | Confident | 70.1 | Confident | 164 Ų | 164 | 102.3 Ų | 102.3 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.4 | -38.4 | 176.8 | -169.3 | 179.6 | -179.4 | -176.6 | 0 | 111.4 | R371 A372 E373 S379 | R371-K375 WeakPolarHBondContact O-CB 3.37Å; R371-K375 PolarHBondContact O-N 3.03Å; A372-K375 WeakPolarHBondContact O-CB 3.48Å; A372-K375 PolarHBondContact O-N 3.28Å; A372-K375 VanDerWaalsContact O-N 3.12Å; E373-K375 VanDerWaalsContact C-N 3.27Å; E373-K375 PolarHBondContact O-N 3.38Å; K375-S379 WeakPolarHBondContact O-CB 3.42Å; K375-S379 PolarHBondContact O-N 3.39Å |
| 376 | E | 78.2 | Confident | 69.6 | Low | 120 Ų | 120 | 103.3 Ų | 103.3 | 56% | 0.561 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.3 | -45.7 | 175.5 | -172.6 | 170.9 | -173.8 | 0 | 0 | 111.6 | A372 E373 K378 S379 M380 | A372-E376 PolarHBondContact O-N 2.9Å; E373-E376 PolarHBondContact O-N 3.25Å; E376-K378 VanDerWaalsContact C-N 3.34Å; E376-K378 PolarHBondContact O-N 3.26Å; E376-S379 WeakPolarHBondContact O-CA 3.32Å; E376-S379 WeakPolarHBondContact O-CB 2.88Å; E376-S379 PolarHBondContact O-N 2.92Å; E376-S379 VanDerWaalsContact O-N 3.12Å; E376-M380 WeakPolarHBondContact O-CG 3.46Å; E376-M380 PolarHBondContact O-N 3.4Å |
| 377 | V | 73.2 | Confident | 68.8 | Low | 94 Ų | 94 | 107 Ų | 107 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.9 | -39.4 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | E373 S379 M380 F381 | E373-V377 WeakPolarHBondContact O-CB 3.37Å; E373-V377 WeakPolarHBondContact O-CG2 3.25Å; E373-V377 PolarHBondContact O-N 3.24Å; V377-S379 VanDerWaalsContact C-N 3.34Å; V377-S379 PolarHBondContact O-N 3.43Å; V377-M380 PolarHBondContact O-N 3.01Å; V377-F381 WeakPolarHBondContact O-CB 3.48Å; V377-F381 PolarHBondContact O-N 3.42Å |
| 378 | K | 70.6 | Confident | 67.7 | Low | 152 Ų | 152 | 107.7 Ų | 107.7 | 66% | 0.661 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.1 | -36.2 | 172.9 | -79.2 | 179 | 178 | -176.5 | 0 | 112.6 | I374 E376 F381 A382 | I374-K378 HydrophobicContact CG2-CD 4.12Å; I374-K378 HydrophobicContact CG2-CG 4.48Å; I374-K378 VanDerWaalsContact O-CB 3.28Å; I374-K378 WeakPolarHBondContact O-CB 3.39Å; I374-K378 VanDerWaalsContact O-CG 3.25Å; I374-K378 WeakPolarHBondContact O-CG 3.47Å; I374-K378 PolarHBondContact O-N 3.07Å; E376-K378 VanDerWaalsContact C-N 3.34Å; E376-K378 PolarHBondContact O-N 3.26Å; K378-F381 PolarHBondContact O-N 2.9Å; K378-A382 WeakPolarHBondContact O-CB 3.35Å; K378-A382 PolarHBondContact O-N 3.15Å |
| 379 | S | 71.1 | Confident | 66.7 | Low | 77 Ų | 77 | 109 Ų | 109 | 54% | 0.538 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.4 | -44.5 | 173.5 | 166.3 | 0 | 0 | 0 | 0 | 111.5 | K375 E376 V377 F381 A382 A383 | K375-S379 WeakPolarHBondContact O-CB 3.42Å; K375-S379 PolarHBondContact O-N 3.39Å; E376-S379 WeakPolarHBondContact O-CA 3.32Å; E376-S379 WeakPolarHBondContact O-CB 2.88Å; E376-S379 PolarHBondContact O-N 2.92Å; E376-S379 VanDerWaalsContact O-N 3.12Å; V377-S379 VanDerWaalsContact C-N 3.34Å; V377-S379 PolarHBondContact O-N 3.43Å; S379-F381 PolarHBondContact O-N 3.17Å; S379-A382 PolarHBondContact O-N 2.96Å; S379-A383 WeakPolarHBondContact O-CB 3.42Å; S379-A383 PolarHBondContact O-N 3.46Å |
| 380 | M | 72.9 | Confident | 65 | Low | 112 Ų | 112 | 114.3 Ų | 114.3 | 55% | 0.552 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.1 | -40.9 | 174.7 | -71.9 | -178.3 | 139.9 | 0 | 0 | 111.9 | E376 V377 A383 L384 | E376-M380 WeakPolarHBondContact O-CG 3.46Å; E376-M380 PolarHBondContact O-N 3.4Å; V377-M380 PolarHBondContact O-N 3.01Å; M380-A383 PolarHBondContact O-N 3.25Å; M380-L384 WeakPolarHBondContact O-CB 3.42Å; M380-L384 VanDerWaalsContact O-CG 3.29Å; M380-L384 WeakPolarHBondContact O-CG 3.34Å; M380-L384 PolarHBondContact O-N 3.42Å |
| 381 | F | 66.7 | Low | 63.3 | Low | 150 Ų | 150 | 117.2 Ų | 117.2 | 66% | 0.658 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.5 | -38.8 | 176.2 | -162.4 | -92.7 | 0 | 0 | 0 | 111.9 | V377 K378 S379 L384 S385 | V377-F381 WeakPolarHBondContact O-CB 3.48Å; V377-F381 PolarHBondContact O-N 3.42Å; K378-F381 PolarHBondContact O-N 2.9Å; S379-F381 PolarHBondContact O-N 3.17Å; F381-L384 PolarHBondContact O-N 3Å; F381-S385 WeakPolarHBondContact O-CB 3.24Å; F381-S385 PolarHBondContact O-N 3.21Å |
| 382 | A | 65.8 | Low | 61.5 | Low | 57 Ų | 57 | 115.1 Ų | 115.1 | 47% | 0.471 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.5 | -41 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K378 S379 S385 S386 | K378-A382 WeakPolarHBondContact O-CB 3.35Å; K378-A382 PolarHBondContact O-N 3.15Å; S379-A382 PolarHBondContact O-N 2.96Å; A382-S385 PolarHBondContact O-N 3.49Å; A382-S386 WeakPolarHBondContact O-CB 3.25Å; A382-S386 PolarHBondContact O-N 3.3Å; A382-S386 PolarHBondContact O-OG 2.96Å |
| 383 | A | 63.3 | Low | 59.5 | Low | 50 Ų | 50 | 116.4 Ų | 116.4 | 41% | 0.413 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -68.3 | -31.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S379 M380 S386 K387 | S379-A383 WeakPolarHBondContact O-CB 3.42Å; S379-A383 PolarHBondContact O-N 3.46Å; M380-A383 PolarHBondContact O-N 3.25Å; A383-S386 WeakPolarHBondContact CA-OG 3.47Å; A383-S386 PolarHBondContact O-OG 3.36Å; A383-K387 PolarHBondContact O-N 3.1Å |
| 384 | L | 59 | Low | 57.4 | Low | 124 Ų | 124 | 119.6 Ų | 119.6 | 65% | 0.649 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -79.4 | -35.5 | 173.4 | -72 | 166 | 0 | 0 | 0 | 111.7 | M380 F381 S386 K387 | M380-L384 WeakPolarHBondContact O-CB 3.42Å; M380-L384 VanDerWaalsContact O-CG 3.29Å; M380-L384 WeakPolarHBondContact O-CG 3.34Å; M380-L384 PolarHBondContact O-N 3.42Å; F381-L384 PolarHBondContact O-N 3Å; L384-S386 VanDerWaalsContact C-N 3.33Å; L384-K387 PolarHBondContact O-N 3.14Å |
| 385 | S | 53.6 | Low | 55.3 | Low | 80 Ų | 80 | 124 Ų | 124 | 56% | 0.559 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -70 | -28.8 | 174.4 | -166.9 | 0 | 0 | 0 | 0 | 112.4 | F381 A382 | F381-S385 WeakPolarHBondContact O-CB 3.24Å; F381-S385 PolarHBondContact O-N 3.21Å; A382-S385 PolarHBondContact O-N 3.49Å |
| 386 | S | 54.2 | Low | 53.1 | Low | 87 Ų | 87 | 124.9 Ų | 124.9 | 61% | 0.608 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -5 | 173.8 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | A382 A383 L384 | A382-S386 WeakPolarHBondContact O-CB 3.25Å; A382-S386 PolarHBondContact O-N 3.3Å; A382-S386 PolarHBondContact O-OG 2.96Å; A383-S386 WeakPolarHBondContact CA-OG 3.47Å; A383-S386 PolarHBondContact O-OG 3.36Å; L384-S386 VanDerWaalsContact C-N 3.33Å |
| 387 | K | 50.9 | Low | 50.7 | Low | 179 Ų | 179 | 125.1 Ų | 125.1 | 78% | 0.778 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 1.1 | 172.5 | -85.7 | -179 | 175.4 | -179.7 | 0 | 113.9 | A383 L384 | A383-K387 PolarHBondContact O-N 3.1Å; L384-K387 PolarHBondContact O-N 3.14Å |
| 388 | S | 46.5 | Very low | 48.6 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 69% | 0.685 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -98.6 | 6.5 | 179.1 | -169.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 389 | L | 47.3 | Very low | 46.4 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 80% | 0.801 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -140.7 | 59.4 | 173.7 | -70.9 | 174.9 | 0 | 0 | 0 | 111.4 | ||
| 390 | Q | 38.6 | Very low | 44.4 | Very low | 173 Ų | 173 | 128.6 Ų | 128.6 | 81% | 0.808 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -161.4 | 141.2 | 148 | -109.9 | 123.2 | 11.2 | 0 | 0 | 110.2 | ||
| 391 | D | 37.8 | Very low | 42.2 | Very low | 151 Ų | 151 | 128.9 Ų | 128.9 | 81% | 0.807 | 72% | 0.715 | S | S | * | * | trans | 76.4 | 71.6 | 174.6 | -57.3 | -14.3 | 0 | 0 | 0 | 118.9 | ||||
| 392 | T | 35 | Very low | 40.5 | Very low | 138 Ų | 138 | 128.2 Ų | 128.2 | 85% | 0.847 | 72% | 0.719 | S | S | * | * | -74.3 | 139.4 | 126.4 | 47.8 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 393 | A | 32.8 | Very low | 39 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 72% | 0.719 | 74% | 0.738 | S | S | * | * | trans | 90.6 | 99.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 394 | D | 34.7 | Very low | 37.5 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | -164.2 | 154.1 | 89 | -105.7 | -29.1 | 0 | 0 | 0 | 113.4 | |||||
| 395 | K | 33.1 | Very low | 36.5 | Very low | 190 Ų | 190 | 147.3 Ų | 147.3 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | -99.5 | 170.5 | -171.7 | -77.7 | 179 | 173.5 | 176 | 0 | 112.4 | ||||
| 396 | Q | 29.4 | Very low | 35.7 | Very low | 181 Ų | 181 | 152.2 Ų | 152.2 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | 91.6 | 134.9 | 168 | -65.6 | 177.6 | -79 | 0 | 0 | 115.1 | ||||
| 397 | D | 29.3 | Very low | 34.9 | Very low | 126 Ų | 126 | 156 Ų | 156 | 67% | 0.674 | 79% | 0.792 | S | S | * | * | cis | -159.9 | 160 | 7.6 | -143.5 | -27.6 | 0 | 0 | 0 | 110.5 | ||||
| 398 | K | 28.8 | Very low | 34.5 | Very low | 187 Ų | 187 | 156.5 Ų | 156.5 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | 4.1 | 134.9 | 160.9 | -84.4 | 165.3 | 165.9 | 171.1 | 0 | 121.4 | ||||
| 399 | C | 23.9 | Very low | 34.4 | Very low | 115 Ų | 115 | 158.1 Ų | 158.1 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | 166.4 | 152.4 | 81.5 | -155 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 400 | S | 29.4 | Very low | 34 | Very low | 94 Ų | 94 | 155.6 Ų | 155.6 | 66% | 0.657 | 80% | 0.801 | S | S | * | * | trans | -41.6 | 157.9 | 174.5 | 39.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 401 | T | 27.3 | Very low | 34.5 | Very low | 117 Ų | 117 | 154.9 Ų | 154.9 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | -175.7 | 150.9 | 59.9 | -18.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 402 | D | 29.4 | Very low | 35.2 | Very low | 137 Ų | 137 | 152.8 Ų | 152.8 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | 63.8 | 123.4 | 147.2 | -70 | -33.2 | 0 | 0 | 0 | 126 | ||||
| 403 | R | 35 | Very low | 36.2 | Very low | 230 Ų | 230 | 149.7 Ų | 149.7 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | 44.6 | 119 | 141.6 | -77.6 | 176.7 | 138.4 | 175.5 | -4.5 | 120.1 | ||||
| 404 | E | 31.3 | Very low | 37.4 | Very low | 202 Ų | 202 | 151 Ų | 151 | 94% | 0.944 | 77% | 0.774 | S | S | * | * | -175.8 | 163.9 | 111 | -103.8 | 176.2 | 163.4 | 0 | 0 | 113.8 | |||||
| 405 | R | 38.8 | Very low | 38.7 | Very low | 200 Ų | 200 | 146.4 Ų | 146.4 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | trans | -89.4 | 137.6 | -158.6 | 167.6 | -165 | -100 | -156.2 | -4.1 | 112.5 | ||||
| 406 | L | 36.7 | Very low | 40 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 95% | 0.953 | 74% | 0.74 | S | S | * | * | trans | -138 | 124.7 | 156.2 | -78.2 | 171 | 0 | 0 | 0 | 111.3 | ||||
| 407 | K | 37.3 | Very low | 41.8 | Very low | 167 Ų | 167 | 136 Ų | 136 | 73% | 0.726 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 143.6 | 177 | -82.7 | 178.4 | 169.6 | -173.8 | 0 | 109.7 | ||
| 408 | E | 42.1 | Very low | 43.1 | Very low | 190 Ų | 190 | 135.1 Ų | 135.1 | 89% | 0.888 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 147 | 163.3 | -62.1 | 173.1 | 148.8 | 0 | 0 | 111.8 | ||
| 409 | P | 44.7 | Very low | 44.8 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 86% | 0.857 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -100 | 130.8 | 160.2 | 10.5 | 9 | 0 | 0 | 0 | 111.8 | ||
| 410 | S | 39.5 | Very low | 46.6 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 151 | -173.1 | 59.7 | 0 | 0 | 0 | 0 | 114.5 | D412 | S410-D412 PolarHBondContact O-N 3.39Š|
| 411 | L | 48.2 | Very low | 48.4 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 83% | 0.827 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | 19.5 | 175.5 | -68.4 | 157.1 | 0 | 0 | 0 | 117 | ||
| 412 | D | 52.9 | Low | 50.4 | Low | 107 Ų | 107 | 134.8 Ų | 134.8 | 57% | 0.572 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -99.2 | -13.8 | -167.9 | -151.5 | 22.1 | 0 | 0 | 0 | 113.9 | S410 V416 | S410-D412 PolarHBondContact O-N 3.39Å; D412-V416 WeakPolarHBondContact O-CG2 3.35Å |
| 413 | A | 55 | Low | 51.8 | Low | 73 Ų | 73 | 135.7 Ų | 135.7 | 60% | 0.603 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -74.4 | -38.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | V416 A417 | A413-V416 PolarHBondContact O-N 3.44Å; A413-A417 PolarHBondContact O-N 3.43Å |
| 414 | D | 58.5 | Low | 52.5 | Low | 116 Ų | 116 | 130.6 Ų | 130.6 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -75.3 | -31.9 | -175 | -64 | -29.8 | 0 | 0 | 0 | 112.2 | V416 A417 L418 | D414-V416 VanDerWaalsContact C-N 3.34Å; D414-V416 PolarHBondContact O-N 2.95Å; D414-A417 PolarHBondContact O-N 3.1Å; D414-L418 PolarHBondContact O-N 3.23Å; D414-L418 VanDerWaalsContact O-N 3.07Å |
| 415 | V | 62.1 | Low | 53.6 | Low | 71 Ų | 71 | 126.4 Ų | 126.4 | 43% | 0.43 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -69.9 | -33 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | K419 | V415-K419 PolarHBondContact O-N 3.49Å |
| 416 | V | 61.2 | Low | 54.2 | Low | 96 Ų | 96 | 122.9 Ų | 122.9 | 58% | 0.582 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73.3 | -37.6 | 175.9 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | D412 A413 D414 K420 | D412-V416 WeakPolarHBondContact O-CG2 3.35Å; A413-V416 PolarHBondContact O-N 3.44Å; D414-V416 VanDerWaalsContact C-N 3.34Å; D414-V416 PolarHBondContact O-N 2.95Å; V416-K420 PolarHBondContact O-N 3.44Å |
| 417 | A | 67.2 | Low | 54.8 | Low | 56 Ų | 56 | 121.4 Ų | 121.4 | 46% | 0.463 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -64.7 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A413 D414 K420 Q421 | A413-A417 PolarHBondContact O-N 3.43Å; D414-A417 PolarHBondContact O-N 3.1Å; A417-K420 PolarHBondContact O-N 3.19Å; A417-Q421 PolarHBondContact O-N 3Å |
| 418 | L | 57 | Low | 55.4 | Low | 109 Ų | 109 | 120.6 Ų | 120.6 | 57% | 0.571 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.3 | -39.5 | 178.2 | -85.8 | 154.3 | 0 | 0 | 0 | 113 | D414 K420 Q421 V422 | D414-L418 PolarHBondContact O-N 3.23Å; D414-L418 VanDerWaalsContact O-N 3.07Å; L418-K420 VanDerWaalsContact C-N 3.25Å; L418-K420 PolarHBondContact O-N 3.17Å; L418-Q421 PolarHBondContact O-N 2.7Å; L418-V422 PolarHBondContact O-N 3.45Å |
| 419 | K | 63.2 | Low | 56 | Low | 153 Ų | 153 | 116.2 Ų | 116.2 | 67% | 0.665 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.4 | -27.8 | 175.9 | -81.2 | 178.6 | 177.5 | 173.3 | 0 | 113.2 | V415 K423 | V415-K419 PolarHBondContact O-N 3.49Å; K419-K423 PolarHBondContact O-N 3.39Å |
| 420 | K | 62.2 | Low | 56 | Low | 149 Ų | 149 | 118.6 Ų | 118.6 | 65% | 0.648 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74.3 | -36.3 | 178.1 | -165.7 | 175 | 179.3 | 179.7 | 0 | 112.4 | V416 A417 L418 Q424 | V416-K420 PolarHBondContact O-N 3.44Å; A417-K420 PolarHBondContact O-N 3.19Å; L418-K420 VanDerWaalsContact C-N 3.25Å; L418-K420 PolarHBondContact O-N 3.17Å; K420-Q424 PolarHBondContact O-N 2.77Å |
| 421 | Q | 67.6 | Low | 56.1 | Low | 125 Ų | 125 | 118.2 Ų | 118.2 | 58% | 0.584 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.2 | -37.9 | 177 | -80.7 | -178.3 | -11.9 | 0 | 0 | 112.9 | A417 L418 K423 Q424 L425 | A417-Q421 PolarHBondContact O-N 3Å; L418-Q421 PolarHBondContact O-N 2.7Å; Q421-K423 PolarHBondContact O-N 3.1Å; Q421-Q424 PolarHBondContact O-N 2.87Å; Q421-L425 PolarHBondContact O-N 3.1Å |
| 422 | V | 67.9 | Low | 56.1 | Low | 79 Ų | 79 | 121.6 Ų | 121.6 | 48% | 0.479 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.8 | -37.2 | 179.1 | 175.9 | 0 | 0 | 0 | 0 | 111.9 | L418 Q424 L425 Q426 | L418-V422 PolarHBondContact O-N 3.45Å; V422-Q424 PolarHBondContact O-N 3.48Å; V422-L425 PolarHBondContact O-N 2.72Å; V422-Q426 PolarHBondContact O-N 3.47Å; V422-Q426 VanDerWaalsContact O-N 3.07Å |
| 423 | K | 58.8 | Low | 55.5 | Low | 156 Ų | 156 | 122.2 Ų | 122.2 | 68% | 0.678 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.8 | -38 | 176.1 | -103.7 | -177.2 | 175.5 | -179.9 | 0 | 113 | K419 Q421 Q427 | K419-K423 PolarHBondContact O-N 3.39Å; Q421-K423 PolarHBondContact O-N 3.1Å; K423-Q427 PolarHBondContact O-N 3.12Å |
| 424 | Q | 50.7 | Low | 54.8 | Low | 122 Ų | 122 | 123.5 Ų | 123.5 | 57% | 0.57 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.7 | -33.3 | 177.7 | -76.8 | -177.6 | -15.9 | 0 | 0 | 112.8 | K420 Q421 V422 K428 | K420-Q424 PolarHBondContact O-N 2.77Å; Q421-Q424 PolarHBondContact O-N 2.87Å; V422-Q424 PolarHBondContact O-N 3.48Å; Q424-K428 PolarHBondContact O-N 2.85Å |
| 425 | L | 54.5 | Low | 53.9 | Low | 115 Ų | 115 | 126.8 Ų | 126.8 | 60% | 0.602 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73 | -39.4 | 176.3 | -75.8 | 163.5 | 0 | 0 | 0 | 112.1 | Q421 V422 Q427 K428 V429 | Q421-L425 PolarHBondContact O-N 3.1Å; V422-L425 PolarHBondContact O-N 2.72Å; L425-Q427 VanDerWaalsContact C-N 3.29Å; L425-Q427 PolarHBondContact O-N 2.95Å; L425-K428 PolarHBondContact O-N 2.68Å; L425-V429 WeakPolarHBondContact O-CG2 3.11Å; L425-V429 PolarHBondContact O-N 3.43Å |
| 426 | Q | 51.9 | Low | 52.6 | Low | 126 Ų | 126 | 132.9 Ų | 132.9 | 59% | 0.589 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -64.8 | -31.5 | 175.8 | -76.2 | 178.4 | -21.1 | 0 | 0 | 113.1 | V422 K430 | V422-Q426 PolarHBondContact O-N 3.47Å; V422-Q426 VanDerWaalsContact O-N 3.07Å; Q426-K430 PolarHBondContact O-N 2.66Å |
| 427 | Q | 49.5 | Very low | 51.1 | Low | 150 Ų | 150 | 132.7 Ų | 132.7 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -75.2 | -30 | 177.8 | -139.5 | 169.7 | 0.7 | 0 | 0 | 112.7 | K423 L425 | K423-Q427 PolarHBondContact O-N 3.12Å; L425-Q427 VanDerWaalsContact C-N 3.29Å; L425-Q427 PolarHBondContact O-N 2.95Å |
| 428 | K | 49.6 | Very low | 49.2 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 65% | 0.652 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -75.1 | -24.3 | 174.5 | -82.9 | -178.9 | 174.8 | 177.9 | 0 | 114.1 | Q424 L425 S431 | Q424-K428 PolarHBondContact O-N 2.85Å; L425-K428 PolarHBondContact O-N 2.68Å; K428-S431 PolarHBondContact O-OG 2.76Å |
| 429 | V | 54.3 | Low | 47.8 | Very low | 99 Ų | 99 | 140.6 Ų | 140.6 | 60% | 0.6 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -81.5 | -35.8 | 177.3 | 175.5 | 0 | 0 | 0 | 0 | 111 | L425 S431 R432 | L425-V429 WeakPolarHBondContact O-CG2 3.11Å; L425-V429 PolarHBondContact O-N 3.43Å; V429-S431 VanDerWaalsContact C-N 3.32Å; V429-S431 PolarHBondContact O-N 2.85Å; V429-R432 PolarHBondContact O-N 2.83Å |
| 430 | K | 43.7 | Very low | 46.1 | Very low | 181 Ų | 181 | 140 Ų | 140 | 79% | 0.787 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -67.1 | -26.4 | 176.5 | -83.7 | -177 | 173.3 | -177.4 | 0 | 114.3 | Q426 | Q426-K430 PolarHBondContact O-N 2.66Å |
| 431 | S | 42.9 | Very low | 45.1 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -8.7 | 178.4 | 60.4 | 0 | 0 | 0 | 0 | 114.7 | K428 V429 | K428-S431 PolarHBondContact O-OG 2.76Å; V429-S431 VanDerWaalsContact C-N 3.32Å; V429-S431 PolarHBondContact O-N 2.85Å |
| 432 | R | 46.8 | Very low | 43 | Very low | 229 Ų | 229 | 137.1 Ų | 137.1 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -3.3 | -179.9 | -79.2 | -171.5 | 172.7 | -173.4 | -2 | 115.1 | V429 | V429-R432 PolarHBondContact O-N 2.83Š|
| 433 | V | 41.3 | Very low | 41 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -106.1 | 1.7 | -172.7 | -178.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 434 | S | 39.5 | Very low | 39.9 | Very low | 99 Ų | 99 | 141.6 Ų | 141.6 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -106.1 | 16.6 | -170.3 | -142.4 | 0 | 0 | 0 | 0 | 117.1 | ||
| 435 | H | 39.3 | Very low | 38.8 | Very low | 186 Ų | 186 | 140.1 Ų | 140.1 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -132.8 | 74.9 | 171.1 | -71.7 | -53.9 | 0 | 0 | 0 | 111.4 | ||
| 436 | Q | 34.9 | Very low | 37.9 | Very low | 198 Ų | 198 | 141.4 Ų | 141.4 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | trans | -168.2 | 85.8 | 156.1 | -108.8 | 175.1 | 31.1 | 0 | 0 | 109.3 | ||||
| 437 | A | 30 | Very low | 36.7 | Very low | 92 Ų | 92 | 143.8 Ų | 143.8 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -164.6 | 104.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 438 | E | 28.5 | Very low | 35.6 | Very low | 195 Ų | 195 | 142.7 Ų | 142.7 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | 169.5 | 111.4 | 144.3 | -94.3 | 169 | -156.4 | 0 | 0 | 109.4 | ||||
| 439 | T | 27.4 | Very low | 34.6 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -145 | 130.6 | 160.7 | 42.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 440 | T | 26.9 | Very low | 33.3 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | -160.3 | 168.5 | 136.8 | 56.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 441 | P | 41.7 | Very low | 32.7 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | -125.4 | 166.3 | -75.6 | 34 | -16.3 | 0 | 0 | 0 | 113.1 | |||||
| 442 | A | 23.4 | Very low | 32 | Very low | 91 Ų | 91 | 149.5 Ų | 149.5 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | trans | 134.3 | 144.9 | 139.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 443 | V | 25.5 | Very low | 31.6 | Very low | 145 Ų | 145 | 141 Ų | 141 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | 85.1 | 125.2 | 155.5 | -143.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 444 | M | 35.3 | Very low | 31.5 | Very low | 184 Ų | 184 | 140.1 Ų | 140.1 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | trans | -69.5 | 134.7 | -178.6 | -60.1 | 175.1 | 65.5 | 0 | 0 | 112.7 | ||||
| 445 | A | 27.6 | Very low | 31.8 | Very low | 92 Ų | 92 | 143.5 Ų | 143.5 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | -153.6 | 131.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 446 | V | 35.8 | Very low | 32.3 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -65.8 | 120 | -179.4 | 173 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 447 | H | 26.8 | Very low | 33.5 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | trans | -133.4 | 125.9 | 166.4 | -86.9 | 36.2 | 0 | 0 | 0 | 111.9 | ||||
| 448 | T | 27.4 | Very low | 35.4 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | -62 | 143.3 | 172.1 | 43.1 | 0 | 0 | 0 | 0 | 112.6 | N450 | T448-N450 PolarHBondContact O-N 3.49Š| ||
| 449 | P | 27.8 | Very low | 38 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | trans | -78 | 113 | -178.1 | 29.4 | -31.1 | 0 | 0 | 0 | 111.9 | R451 | P449-R451 PolarHBondContact O-N 2.82Š| ||
| 450 | N | 26.9 | Very low | 40.7 | Very low | 135 Ų | 135 | 123.7 Ų | 123.7 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | trans | -77 | 104.1 | 168.5 | -164.7 | 13.2 | 0 | 0 | 0 | 109.4 | T448 | T448-N450 PolarHBondContact O-N 3.49Š| ||
| 451 | R | 30 | Very low | 43.4 | Very low | 234 Ų | 234 | 124.8 Ų | 124.8 | 88% | 0.883 | 66% | 0.661 | S | S | * | * | trans | -81.8 | 109.3 | 166.1 | -89.2 | -177.8 | 173.7 | 176.2 | -1.5 | 108.2 | P449 P453 | P449-R451 PolarHBondContact O-N 2.82Å; R451-P453 VanDerWaalsContact O-CD 3.26Å; R451-P453 WeakPolarHBondContact O-CD 3.36Å | ||
| 452 | H | 28.9 | Very low | 45.2 | Very low | 167 Ų | 167 | 124.2 Ų | 124.2 | 77% | 0.773 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 117.5 | 159.7 | -97.2 | -82.8 | 0 | 0 | 0 | 108.9 | ||
| 453 | P | 38.8 | Very low | 48.1 | Very low | 51 Ų | 51 | 120 Ų | 120 | 33% | 0.331 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -89.3 | 144.3 | 170.6 | 32.3 | -24.7 | 0 | 0 | 0 | 110.3 | R451 R458 | R451-P453 VanDerWaalsContact O-CD 3.26Å; R451-P453 WeakPolarHBondContact O-CD 3.36Å; P453-R458 VanDerWaalsContact CB-NH2 3.32Å |
| 454 | D | 39.6 | Very low | 50.8 | Low | 102 Ų | 102 | 113.1 Ų | 113.1 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -46.7 | 136.7 | 177.7 | -164 | 9.1 | 0 | 0 | 0 | 112.9 | D456 E457 | D454-D456 PolarHBondContact O-N 3.36Å; D454-D456 VanDerWaalsContact O-N 3.1Å; D454-E457 PolarHBondContact O-N 2.79Å |
| 455 | M | 44.7 | Very low | 53 | Low | 171 Ų | 171 | 108 Ų | 108 | 84% | 0.842 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -67.3 | -12.3 | -170.8 | -74 | -80.4 | -88.4 | 0 | 0 | 113.4 | ||
| 456 | D | 51.5 | Low | 55.5 | Low | 124 Ų | 124 | 106.7 Ų | 106.7 | 66% | 0.663 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -84.7 | -5 | 179.7 | -83.5 | -22.6 | 0 | 0 | 0 | 114.9 | D454 | D454-D456 PolarHBondContact O-N 3.36Å; D454-D456 VanDerWaalsContact O-N 3.1Å |
| 457 | E | 59.2 | Low | 57.4 | Low | 97 Ų | 97 | 103.8 Ų | 103.8 | 45% | 0.453 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -101.5 | -2.2 | -176.5 | -66.6 | -171.8 | 163.9 | 0 | 0 | 114.6 | D454 K492 | D454-E457 PolarHBondContact O-N 2.79Å; E457-K492 IonicContact OE1-NZ 2.86Å; E457-K492 PolarHBondContact OE1-NZ 3.02Å |
| 458 | R | 70.1 | Confident | 59.9 | Low | 151 Ų | 151 | 97.9 Ų | 97.9 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | trans | -103.9 | 109.4 | 176.3 | -109.3 | 125.7 | -88.6 | -133.7 | -10.5 | 110.8 | P453 | P453-R458 VanDerWaalsContact CB-NH2 3.32Š| ||
| 459 | F | 83 | Confident | 62.3 | Low | 19 Ų | 19 | 96.8 Ų | 96.8 | 8% | 0.083 | 49% | 0.485 | C | S | . | . | B | Isolated β-bridge | trans | -117.6 | 156.2 | 172.9 | 64.8 | -85.5 | 0 | 0 | 0 | 111.2 | Y461 V482 R485 L486 | F459-Y461 HydrophobicContact CE2-CD1 4.34Å; F459-Y461 HydrophobicContact CE2-CE1 4.28Å; F459-Y461 HydrophobicContact CZ-CE1 4.23Å; F459-V482 HydrophobicContact CE2-CG1 4.2Å; F459-R485 HydrophobicContact CD1-CB 3.92Å; F459-R485 HydrophobicContact CD2-CB 3.64Å; F459-R485 HydrophobicContact CD2-CG 4.19Å; F459-R485 HydrophobicContact CE1-CB 3.78Å; F459-R485 HydrophobicContact CE2-CB 3.49Å; F459-R485 VanDerWaalsContact CE2-CB 3.49Å; F459-R485 HydrophobicContact CE2-CG 4.49Å; F459-R485 HydrophobicContact CG-CB 3.86Å; F459-R485 HydrophobicContact CG-CG 4.22Å; F459-R485 HydrophobicContact CZ-CB 3.57Å; F459-L486 HydrophobicContact CE2-CD1 3.93Å; F459-L486 HydrophobicContact CZ-CD1 3.73Å; F459-L486 HydrophobicContact CZ-CG 4.11Å |
| 460 | C | 84.4 | Confident | 64.7 | Low | 0 Ų | 0 | 93 Ų | 93 | 0% | 0 | 46% | 0.464 | C | S | . | . | trans | -73.8 | 123.5 | -179.6 | 178.4 | 0 | 0 | 0 | 0 | 111 | R462 G464 E465 H468 | C460-R462 PolarHBondContact O-N 3.11Å; C460-R462 VanDerWaalsContact O-N 3.12Å; C460-R462 PolarHBondContact SG-N 2.97Å; C460-G464 VanDerWaalsContact O-CA 3.25Å; C460-G464 WeakPolarHBondContact O-CA 3.39Å; C460-G464 PolarHBondContact O-N 3.35Å; C460-E465 VanDerWaalsContact CB-O 3.32Å; C460-E465 WeakPolarHBondContact CB-O 3.37Å; C460-E465 PolarHBondContact N-O 3.15Å; C460-H468 WeakPolarHBondContact CB-O 3.23Å | ||
| 461 | Y | 83.2 | Confident | 67 | Low | 163 Ų | 163 | 91.1 Ų | 91.1 | 64% | 0.639 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -1.3 | 177.8 | -67.5 | -83.3 | 0 | 0 | 0 | 114.8 | F459 V482 L486 | F459-Y461 HydrophobicContact CE2-CD1 4.34Å; F459-Y461 HydrophobicContact CE2-CE1 4.28Å; F459-Y461 HydrophobicContact CZ-CE1 4.23Å; Y461-V482 HydrophobicContact CD1-CG1 4.35Å; Y461-L486 HydrophobicContact CD1-CD1 4.07Å; Y461-L486 HydrophobicContact CE1-CD1 3.88Å |
| 462 | R | 79.4 | Confident | 69 | Low | 110 Ų | 110 | 88 Ų | 88 | 42% | 0.415 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -44.9 | 175.8 | -164.8 | 177.6 | -167.8 | -137.3 | 0.7 | 113.1 | C460 A470 C473 E477 N478 | C460-R462 PolarHBondContact O-N 3.11Å; C460-R462 VanDerWaalsContact O-N 3.12Å; C460-R462 PolarHBondContact SG-N 2.97Å; R462-A470 HydrophobicContact CB-CB 4.11Å; R462-C473 HydrophobicContact CB-CB 4.36Å; R462-E477 HydrophobicContact CG-CB 4.47Å; R462-E477 HydrophobicContact CG-CG 4.32Å; R462-E477 WeakPolarHBondContact O-CA 3.15Å; R462-N478 PolarHBondContact O-N 2.98Å |
| 463 | C | 84.6 | Confident | 71.6 | Confident | 3 Ų | 3 | 80.6 Ų | 80.6 | 2% | 0.02 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -10 | -175.4 | 70.2 | 0 | 0 | 0 | 0 | 114.6 | H468 C473 | C463-H468 PolarHBondContact SG-NE2 3.36Å; C463-H468 VanDerWaalsContact SG-NE2 3.36Å; C463-C473 PolarHBondContact SG-SG 2.62Å |
| 464 | G | 81.6 | Confident | 73.5 | Confident | 0 Ų | 0 | 90.2 Ų | 90.2 | 0% | 0 | 45% | 0.451 | C | S | . | . | trans | 78.5 | 10.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | C460 | C460-G464 VanDerWaalsContact O-CA 3.25Å; C460-G464 WeakPolarHBondContact O-CA 3.39Å; C460-G464 PolarHBondContact O-N 3.35Å | ||
| 465 | E | 82 | Confident | 75.3 | Confident | 78 Ų | 78 | 87 Ų | 87 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | trans | -95.2 | 149.5 | 178.4 | -66.1 | 179.5 | 168.2 | 0 | 0 | 112.5 | C460 K481 | C460-E465 VanDerWaalsContact CB-O 3.32Å; C460-E465 WeakPolarHBondContact CB-O 3.37Å; C460-E465 PolarHBondContact N-O 3.15Å; E465-K481 IonicContact OE1-NZ 3.61Å; E465-K481 PolarHBondContact OE1-NZ 2.74Å; E465-K481 VanDerWaalsContact OE1-NZ 3.15Å | ||
| 466 | S | 80.1 | Confident | 76.8 | Confident | 63 Ų | 63 | 84.2 Ų | 84.2 | 44% | 0.441 | 43% | 0.431 | S | S | . | . | B | Isolated β-bridge | trans | -81.7 | 162.9 | 177.3 | 45.8 | 0 | 0 | 0 | 0 | 112.2 | ||
| 467 | G | 75.1 | Confident | 78.2 | Confident | 81 Ų | 81 | 83.8 Ų | 83.8 | 84% | 0.835 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 89.2 | -1.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 468 | H | 79.3 | Confident | 79.2 | Confident | 53 Ų | 53 | 82.5 Ų | 82.5 | 25% | 0.245 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -152.6 | 166 | 172.9 | 67.3 | -82.1 | 0 | 0 | 0 | 112.3 | C460 C463 C473 | C460-H468 WeakPolarHBondContact CB-O 3.23Å; C463-H468 PolarHBondContact SG-NE2 3.36Å; C463-H468 VanDerWaalsContact SG-NE2 3.36Å; H468-C473 PolarHBondContact NE2-SG 2.9Å |
| 469 | I | 78.9 | Confident | 79.5 | Confident | 104 Ų | 104 | 81.2 Ų | 81.2 | 53% | 0.533 | 42% | 0.422 | S | S | . | . | trans | -110.5 | 159.6 | 179 | 58.1 | 169.6 | 0 | 0 | 0 | 111.2 | S471 K472 C473 | I469-S471 VanDerWaalsContact CD1-OG 3.24Å; I469-S471 WeakPolarHBondContact CD1-OG 3.42Å; I469-S471 WeakPolarHBondContact CG1-OG 3.39Å; I469-S471 PolarHBondContact O-N 3.4Å; I469-K472 PolarHBondContact O-N 3.26Å; I469-C473 PolarHBondContact O-N 3.05Å | ||
| 470 | A | 77.5 | Confident | 79.1 | Confident | 47 Ų | 47 | 86.1 Ų | 86.1 | 39% | 0.388 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -52.7 | -34.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R462 K472 C473 | R462-A470 HydrophobicContact CB-CB 4.11Å; A470-K472 PolarHBondContact O-N 2.94Å; A470-C473 WeakPolarHBondContact O-CB 3.15Å; A470-C473 PolarHBondContact O-N 3.27Å |
| 471 | S | 74.6 | Confident | 79 | Confident | 95 Ų | 95 | 89.7 Ų | 89.7 | 66% | 0.664 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -67.5 | -17.5 | 179.2 | 56.8 | 0 | 0 | 0 | 0 | 114.9 | I469 | I469-S471 VanDerWaalsContact CD1-OG 3.24Å; I469-S471 WeakPolarHBondContact CD1-OG 3.42Å; I469-S471 WeakPolarHBondContact CG1-OG 3.39Å; I469-S471 PolarHBondContact O-N 3.4Å |
| 472 | K | 73.8 | Confident | 78.9 | Confident | 168 Ų | 168 | 82.6 Ų | 82.6 | 73% | 0.73 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -121.1 | 17.3 | 178.5 | -62 | -175.3 | -179.1 | -179.7 | 0 | 112.7 | I469 A470 | I469-K472 PolarHBondContact O-N 3.26Å; A470-K472 PolarHBondContact O-N 2.94Å |
| 473 | C | 81.9 | Confident | 78.6 | Confident | 13 Ų | 13 | 81.6 Ų | 81.6 | 9% | 0.088 | 44% | 0.44 | C | S | . | . | trans | -82.4 | 121 | -175.9 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | R462 C463 H468 I469 A470 | R462-C473 HydrophobicContact CB-CB 4.36Å; C463-C473 PolarHBondContact SG-SG 2.62Å; H468-C473 PolarHBondContact NE2-SG 2.9Å; I469-C473 PolarHBondContact O-N 3.05Å; A470-C473 WeakPolarHBondContact O-CB 3.15Å; A470-C473 PolarHBondContact O-N 3.27Å | ||
| 474 | R | 79.2 | Confident | 78.3 | Confident | 252 Ų | 252 | 87 Ų | 87 | 95% | 0.951 | 47% | 0.468 | S | S | * | . | trans | -96.5 | -6.6 | 175 | -63.8 | -174 | -179.9 | -159.7 | -0.3 | 113.8 | ||||
| 475 | S | 77.9 | Confident | 78.4 | Confident | 35 Ų | 35 | 91 Ų | 91 | 25% | 0.245 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -81.4 | 152.2 | -179.6 | -54 | 0 | 0 | 0 | 0 | 111.3 | ||
| 476 | P | 75.4 | Confident | 78.3 | Confident | 112 Ų | 112 | 90.6 Ų | 90.6 | 73% | 0.727 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 152 | 174.8 | 26.7 | -34 | 0 | 0 | 0 | 111.3 | N478 | P476-N478 PolarHBondContact O-N 2.92Š|
| 477 | E | 80.9 | Confident | 78.1 | Confident | 116 Ų | 116 | 91.2 Ų | 91.2 | 54% | 0.542 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 130.2 | -178.9 | -169.4 | 175.1 | 159.3 | 0 | 0 | 110.8 | R462 Q479 | R462-E477 HydrophobicContact CG-CB 4.47Å; R462-E477 HydrophobicContact CG-CG 4.32Å; R462-E477 WeakPolarHBondContact O-CA 3.15Å; E477-Q479 HydrophobicContact CG-CG 4.25Å; E477-Q479 PolarHBondContact OE1-NE2 3.24Å |
| 478 | N | 81 | Confident | 78.2 | Confident | 69 Ų | 69 | 93.4 Ų | 93.4 | 37% | 0.369 | 47% | 0.47 | S | S | . | . | trans | -137.9 | 82.1 | -177.9 | -167.6 | -29.2 | 0 | 0 | 0 | 110.4 | R462 P476 N480 K481 V482 | R462-N478 PolarHBondContact O-N 2.98Å; P476-N478 PolarHBondContact O-N 2.92Å; N478-N480 VanDerWaalsContact C-N 3.3Å; N478-N480 PolarHBondContact O-N 2.69Å; N478-K481 HydrophobicContact CB-CB 4.29Å; N478-K481 PolarHBondContact O-N 3.42Å; N478-K481 WeakPolarHBondContact OD1-CB 3.39Å; N478-K481 PolarHBondContact OD1-N 2.8Å; N478-K481 VanDerWaalsContact OD1-N 3.1Å; N478-V482 WeakPolarHBondContact O-CG2 3.49Å; N478-V482 PolarHBondContact O-N 3.44Å | ||
| 479 | Q | 75.4 | Confident | 78.1 | Confident | 124 Ų | 124 | 93.3 Ų | 93.3 | 58% | 0.579 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.6 | -38.7 | -177.2 | -63.7 | 177.6 | -4.1 | 0 | 0 | 112 | E477 K481 V482 I483 | E477-Q479 HydrophobicContact CG-CG 4.25Å; E477-Q479 PolarHBondContact OE1-NE2 3.24Å; Q479-K481 PolarHBondContact O-N 3.21Å; Q479-V482 PolarHBondContact O-N 3.31Å; Q479-I483 WeakPolarHBondContact O-CB 3.04Å; Q479-I483 VanDerWaalsContact O-CG1 3.25Å; Q479-I483 WeakPolarHBondContact O-CG1 3.49Å; Q479-I483 PolarHBondContact O-N 3.46Å |
| 480 | N | 75.8 | Confident | 77.9 | Confident | 123 Ų | 123 | 93.7 Ų | 93.7 | 66% | 0.658 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.7 | -43.3 | 179.2 | -71.6 | -28 | 0 | 0 | 0 | 112.2 | N478 I483 L484 | N478-N480 VanDerWaalsContact C-N 3.3Å; N478-N480 PolarHBondContact O-N 2.69Å; N480-I483 PolarHBondContact O-N 2.95Å; N480-L484 VanDerWaalsContact O-CG 3.29Å; N480-L484 WeakPolarHBondContact O-CG 3.24Å; N480-L484 PolarHBondContact O-N 3.49Å |
| 481 | K | 80.7 | Confident | 77.6 | Confident | 74 Ų | 74 | 98.3 Ų | 98.3 | 32% | 0.322 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.1 | -36 | 179.3 | -166 | 171 | 174.2 | -174.8 | 0 | 112 | E465 N478 Q479 R485 | E465-K481 IonicContact OE1-NZ 3.61Å; E465-K481 PolarHBondContact OE1-NZ 2.74Å; E465-K481 VanDerWaalsContact OE1-NZ 3.15Å; N478-K481 HydrophobicContact CB-CB 4.29Å; N478-K481 PolarHBondContact O-N 3.42Å; N478-K481 WeakPolarHBondContact OD1-CB 3.39Å; N478-K481 PolarHBondContact OD1-N 2.8Å; N478-K481 VanDerWaalsContact OD1-N 3.1Å; Q479-K481 PolarHBondContact O-N 3.21Å; K481-R485 WeakPolarHBondContact O-CG 3.45Å; K481-R485 PolarHBondContact O-N 3.06Å; K481-R485 VanDerWaalsContact O-N 3.1Å |
| 482 | V | 81.1 | Confident | 77.4 | Confident | 15 Ų | 15 | 99 Ų | 99 | 9% | 0.091 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -65.6 | -46.6 | 174.6 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | F459 Y461 N478 Q479 L484 R485 L486 | F459-V482 HydrophobicContact CE2-CG1 4.2Å; Y461-V482 HydrophobicContact CD1-CG1 4.35Å; N478-V482 WeakPolarHBondContact O-CG2 3.49Å; N478-V482 PolarHBondContact O-N 3.44Å; Q479-V482 PolarHBondContact O-N 3.31Å; V482-L484 PolarHBondContact O-N 3.4Å; V482-R485 PolarHBondContact O-N 3.42Å; V482-L486 HydrophobicContact CG1-CD1 3.74Å; V482-L486 WeakPolarHBondContact O-CD1 3.26Å; V482-L486 PolarHBondContact O-N 3.4Å |
| 483 | I | 74.5 | Confident | 76.9 | Confident | 89 Ų | 89 | 94 Ų | 94 | 46% | 0.456 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 177.5 | -69.3 | 164.5 | 0 | 0 | 0 | 110.6 | Q479 N480 R485 L486 I487 | Q479-I483 WeakPolarHBondContact O-CB 3.04Å; Q479-I483 VanDerWaalsContact O-CG1 3.25Å; Q479-I483 WeakPolarHBondContact O-CG1 3.49Å; Q479-I483 PolarHBondContact O-N 3.46Å; N480-I483 PolarHBondContact O-N 2.95Å; I483-R485 VanDerWaalsContact C-N 3.32Å; I483-R485 PolarHBondContact O-N 2.94Å; I483-L486 PolarHBondContact O-N 3.02Å; I483-I487 HydrophobicContact CG2-CD1 3.71Å; I483-I487 HydrophobicContact CG2-CG1 4.38Å; I483-I487 VanDerWaalsContact O-CG1 3.28Å; I483-I487 WeakPolarHBondContact O-CG1 3.47Å; I483-I487 PolarHBondContact O-N 2.81Å |
| 484 | L | 78.4 | Confident | 75.6 | Confident | 116 Ų | 116 | 101.2 Ų | 101.2 | 61% | 0.607 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.1 | -42 | 176.4 | -73.5 | 171 | 0 | 0 | 0 | 112.2 | N480 V482 I487 Q488 | N480-L484 VanDerWaalsContact O-CG 3.29Å; N480-L484 WeakPolarHBondContact O-CG 3.24Å; N480-L484 PolarHBondContact O-N 3.49Å; V482-L484 PolarHBondContact O-N 3.4Å; L484-I487 PolarHBondContact O-N 3.25Å; L484-Q488 WeakPolarHBondContact O-CB 3.38Å; L484-Q488 PolarHBondContact O-N 2.92Å |
| 485 | R | 83.4 | Confident | 74 | Confident | 83 Ų | 83 | 93.1 Ų | 93.1 | 31% | 0.313 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.1 | -39 | 176.8 | -73.9 | -71.6 | -172.2 | 137.3 | -1.3 | 112.7 | F459 K481 V482 I483 Q488 A489 | F459-R485 HydrophobicContact CD1-CB 3.92Å; F459-R485 HydrophobicContact CD2-CB 3.64Å; F459-R485 HydrophobicContact CD2-CG 4.19Å; F459-R485 HydrophobicContact CE1-CB 3.78Å; F459-R485 HydrophobicContact CE2-CB 3.49Å; F459-R485 VanDerWaalsContact CE2-CB 3.49Å; F459-R485 HydrophobicContact CE2-CG 4.49Å; F459-R485 HydrophobicContact CG-CB 3.86Å; F459-R485 HydrophobicContact CG-CG 4.22Å; F459-R485 HydrophobicContact CZ-CB 3.57Å; K481-R485 WeakPolarHBondContact O-CG 3.45Å; K481-R485 PolarHBondContact O-N 3.06Å; K481-R485 VanDerWaalsContact O-N 3.1Å; V482-R485 PolarHBondContact O-N 3.42Å; I483-R485 VanDerWaalsContact C-N 3.32Å; I483-R485 PolarHBondContact O-N 2.94Å; R485-Q488 PolarHBondContact O-N 3.15Å; R485-A489 WeakPolarHBondContact O-CB 3.46Å; R485-A489 PolarHBondContact O-N 3.33Å |
| 486 | L | 78.8 | Confident | 72.3 | Confident | 70 Ų | 70 | 96.1 Ų | 96.1 | 37% | 0.366 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 172.8 | -101.5 | 101.6 | 0 | 0 | 0 | 111.6 | F459 Y461 V482 I483 Q488 A489 L490 | F459-L486 HydrophobicContact CE2-CD1 3.93Å; F459-L486 HydrophobicContact CZ-CD1 3.73Å; F459-L486 HydrophobicContact CZ-CG 4.11Å; Y461-L486 HydrophobicContact CD1-CD1 4.07Å; Y461-L486 HydrophobicContact CE1-CD1 3.88Å; V482-L486 HydrophobicContact CG1-CD1 3.74Å; V482-L486 WeakPolarHBondContact O-CD1 3.26Å; V482-L486 PolarHBondContact O-N 3.4Å; I483-L486 PolarHBondContact O-N 3.02Å; L486-Q488 VanDerWaalsContact C-N 3.27Å; L486-Q488 PolarHBondContact O-N 3.29Å; L486-A489 PolarHBondContact O-N 2.71Å; L486-L490 WeakPolarHBondContact O-CB 3.29Å; L486-L490 VanDerWaalsContact O-CG 3.31Å; L486-L490 WeakPolarHBondContact O-CG 3.18Å; L486-L490 PolarHBondContact O-N 2.74Å |
| 487 | I | 77.5 | Confident | 70.8 | Confident | 76 Ų | 76 | 97.3 Ų | 97.3 | 39% | 0.39 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 177.9 | -68 | 167.8 | 0 | 0 | 0 | 110 | I483 L484 L490 K491 | I483-I487 HydrophobicContact CG2-CD1 3.71Å; I483-I487 HydrophobicContact CG2-CG1 4.38Å; I483-I487 VanDerWaalsContact O-CG1 3.28Å; I483-I487 WeakPolarHBondContact O-CG1 3.47Å; I483-I487 PolarHBondContact O-N 2.81Å; L484-I487 PolarHBondContact O-N 3.25Å; I487-L490 PolarHBondContact O-N 3.09Å; I487-K491 HydrophobicContact CG2-CD 4.16Å; I487-K491 HydrophobicContact CG2-CG 4.43Å; I487-K491 WeakPolarHBondContact O-CB 3.23Å; I487-K491 WeakPolarHBondContact O-CG 3.35Å; I487-K491 PolarHBondContact O-N 3.47Å |
| 488 | Q | 77 | Confident | 68.7 | Low | 128 Ų | 128 | 97.3 Ų | 97.3 | 60% | 0.598 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.9 | -39.9 | 178.9 | -156.2 | 171.2 | 16.9 | 0 | 0 | 112 | L484 R485 L486 K491 K492 | L484-Q488 WeakPolarHBondContact O-CB 3.38Å; L484-Q488 PolarHBondContact O-N 2.92Å; R485-Q488 PolarHBondContact O-N 3.15Å; L486-Q488 VanDerWaalsContact C-N 3.27Å; L486-Q488 PolarHBondContact O-N 3.29Å; Q488-K491 PolarHBondContact O-N 3.31Å; Q488-K492 WeakPolarHBondContact O-CB 3.38Å; Q488-K492 PolarHBondContact O-N 2.86Å |
| 489 | A | 76.9 | Confident | 66.2 | Low | 50 Ų | 50 | 102.8 Ų | 102.8 | 41% | 0.413 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R485 L486 K492 A493 | R485-A489 WeakPolarHBondContact O-CB 3.46Å; R485-A489 PolarHBondContact O-N 3.33Å; L486-A489 PolarHBondContact O-N 2.71Å; A489-K492 PolarHBondContact O-N 3.45Å; A489-A493 WeakPolarHBondContact O-CB 3.25Å; A489-A493 PolarHBondContact O-N 3.49Å |
| 490 | L | 73.6 | Confident | 64.2 | Low | 113 Ų | 113 | 101.8 Ų | 101.8 | 59% | 0.592 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.8 | -38.9 | 175.5 | -72.7 | 170 | 0 | 0 | 0 | 112.2 | L486 I487 A493 K494 | L486-L490 WeakPolarHBondContact O-CB 3.29Å; L486-L490 VanDerWaalsContact O-CG 3.31Å; L486-L490 WeakPolarHBondContact O-CG 3.18Å; L486-L490 PolarHBondContact O-N 2.74Å; I487-L490 PolarHBondContact O-N 3.09Å; L490-A493 PolarHBondContact O-N 2.79Å; L490-K494 WeakPolarHBondContact O-CB 3.14Å; L490-K494 WeakPolarHBondContact O-CG 3.3Å; L490-K494 PolarHBondContact O-N 2.8Å |
| 491 | K | 71.8 | Confident | 62 | Low | 144 Ų | 144 | 105 Ų | 105 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.8 | -40.7 | 173.8 | -77.1 | -178.4 | 178.7 | -173.8 | 0 | 111.5 | I487 Q488 K494 S495 | I487-K491 HydrophobicContact CG2-CD 4.16Å; I487-K491 HydrophobicContact CG2-CG 4.43Å; I487-K491 WeakPolarHBondContact O-CB 3.23Å; I487-K491 WeakPolarHBondContact O-CG 3.35Å; I487-K491 PolarHBondContact O-N 3.47Å; Q488-K491 PolarHBondContact O-N 3.31Å; K491-K494 PolarHBondContact O-N 2.92Å; K491-S495 WeakPolarHBondContact O-CB 3.39Å; K491-S495 PolarHBondContact O-N 3.02Å; K491-S495 PolarHBondContact O-OG 2.74Å |
| 492 | K | 70 | Confident | 59.6 | Low | 110 Ų | 110 | 107 Ų | 107 | 48% | 0.478 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.7 | -41.8 | 176.5 | -152 | -179 | 177.8 | -155.2 | 0 | 111.3 | E457 Q488 A489 S495 S496 | E457-K492 IonicContact OE1-NZ 2.86Å; E457-K492 PolarHBondContact OE1-NZ 3.02Å; Q488-K492 WeakPolarHBondContact O-CB 3.38Å; Q488-K492 PolarHBondContact O-N 2.86Å; A489-K492 PolarHBondContact O-N 3.45Å; K492-S495 WeakPolarHBondContact CA-OG 3.39Å; K492-S495 PolarHBondContact O-N 3.31Å; K492-S495 PolarHBondContact O-OG 3.28Å; K492-S496 PolarHBondContact O-N 3.46Å; K492-S496 VanDerWaalsContact O-N 3.09Å; K492-S496 PolarHBondContact O-OG 3.05Å |
| 493 | A | 64.5 | Low | 57.1 | Low | 62 Ų | 62 | 113.4 Ų | 113.4 | 51% | 0.512 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.1 | -29.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A489 L490 S496 | A489-A493 WeakPolarHBondContact O-CB 3.25Å; A489-A493 PolarHBondContact O-N 3.49Å; L490-A493 PolarHBondContact O-N 2.79Å; A493-S496 PolarHBondContact O-OG 3.46Å; A493-S496 VanDerWaalsContact O-OG 3.1Å |
| 494 | K | 54.7 | Low | 54.9 | Low | 164 Ų | 164 | 117.8 Ų | 117.8 | 71% | 0.713 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74.3 | -37.9 | 170.4 | -81.1 | -174.7 | 173.5 | -173.8 | 0 | 112.1 | L490 K491 N497 | L490-K494 WeakPolarHBondContact O-CB 3.14Å; L490-K494 WeakPolarHBondContact O-CG 3.3Å; L490-K494 PolarHBondContact O-N 2.8Å; K491-K494 PolarHBondContact O-N 2.92Å; K494-N497 PolarHBondContact O-N 3.27Å |
| 495 | S | 43.9 | Very low | 52.8 | Low | 82 Ų | 82 | 117.9 Ų | 117.9 | 57% | 0.573 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -72.3 | -27.2 | 180 | 63.2 | 0 | 0 | 0 | 0 | 114.4 | K491 K492 N497 | K491-S495 WeakPolarHBondContact O-CB 3.39Å; K491-S495 PolarHBondContact O-N 3.02Å; K491-S495 PolarHBondContact O-OG 2.74Å; K492-S495 WeakPolarHBondContact CA-OG 3.39Å; K492-S495 PolarHBondContact O-N 3.31Å; K492-S495 PolarHBondContact O-OG 3.28Å; S495-N497 PolarHBondContact O-N 2.95Å |
| 496 | S | 43.5 | Very low | 50.2 | Low | 99 Ų | 99 | 120.6 Ų | 120.6 | 69% | 0.692 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -5.9 | 171.3 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | K492 A493 | K492-S496 PolarHBondContact O-N 3.46Å; K492-S496 VanDerWaalsContact O-N 3.09Å; K492-S496 PolarHBondContact O-OG 3.05Å; A493-S496 PolarHBondContact O-OG 3.46Å; A493-S496 VanDerWaalsContact O-OG 3.1Å |
| 497 | N | 44.4 | Very low | 47.9 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | 5 | -176.6 | -140.1 | 12.5 | 0 | 0 | 0 | 114.9 | K494 S495 | K494-N497 PolarHBondContact O-N 3.27Å; S495-N497 PolarHBondContact O-N 2.95Å |
| 498 | T | 35.3 | Very low | 45.6 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 71% | 0.712 | 70% | 0.697 | S | S | * | * | trans | -165 | 131.8 | 171.2 | -19.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 499 | Q | 29.8 | Very low | 43.3 | Very low | 185 Ų | 185 | 128.3 Ų | 128.3 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | trans | -76.6 | 161.8 | 161.3 | -101.4 | -165.2 | -28.3 | 0 | 0 | 111 | ||||
| 500 | P | 33.1 | Very low | 41.2 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 66% | 0.662 | 73% | 0.727 | S | S | * | * | trans | -94.9 | 145.8 | -143.8 | 35.9 | -33.9 | 0 | 0 | 0 | 114.5 | ||||
| 501 | H | 29 | Very low | 39 | Very low | 191 Ų | 191 | 131.5 Ų | 131.5 | 88% | 0.884 | 73% | 0.733 | S | S | * | * | trans | -139.3 | 121.6 | 139.5 | -95 | -76.7 | 0 | 0 | 0 | 109.4 | ||||
| 502 | T | 30.1 | Very low | 37.1 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -60 | 156 | 164.4 | 47.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 503 | D | 29.6 | Very low | 35.1 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | cis | -163.1 | 165.1 | -13.7 | -127 | -23.6 | 0 | 0 | 0 | 106.3 | ||||
| 504 | E | 28.4 | Very low | 34 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | 124.1 | 101.5 | 152.3 | -67.3 | -155.9 | 150.5 | 0 | 0 | 116.2 | ||||
| 505 | S | 33.3 | Very low | 33.4 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -84.1 | 132 | 165.2 | 52.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 506 | V | 29.1 | Very low | 32.8 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | -136 | 121.4 | 152.4 | 179.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 507 | E | 30.6 | Very low | 32.3 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 77% | 0.771 | 80% | 0.804 | S | S | * | * | trans | -62.6 | 140.5 | 164.5 | -63 | 175.7 | 147.8 | 0 | 0 | 110.5 | ||||
| 508 | Q | 28.4 | Very low | 31.7 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | 152.6 | 127.5 | 125.8 | -83.2 | 170.9 | 6.4 | 0 | 0 | 113.1 | |||||
| 509 | S | 28.2 | Very low | 32 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | 42.6 | 113.3 | 133.3 | -54.1 | 0 | 0 | 0 | 0 | 119.2 | T511 | S509-T511 PolarHBondContact O-N 3.34Å; S509-T511 PolarHBondContact O-OG1 2.89Å | ||
| 510 | A | 33.3 | Very low | 32.3 | Very low | 112 Ų | 112 | 142.4 Ų | 142.4 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | trans | -45.2 | 108.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 511 | T | 27.2 | Very low | 32.6 | Very low | 119 Ų | 119 | 146 Ų | 146 | 73% | 0.73 | 82% | 0.815 | S | S | * | * | trans | -138.2 | 118.1 | 164 | 24.6 | 0 | 0 | 0 | 0 | 108.6 | S509 R513 | S509-T511 PolarHBondContact O-N 3.34Å; S509-T511 PolarHBondContact O-OG1 2.89Å; T511-R513 PolarHBondContact O-N 2.8Å | ||
| 512 | V | 32.8 | Very low | 33.3 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -68.1 | 110.6 | 177.6 | 176.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 513 | R | 28.2 | Very low | 34.1 | Very low | 232 Ų | 232 | 143.8 Ų | 143.8 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | trans | -92.1 | 105.5 | 167.4 | -78.9 | -175.6 | 174.4 | 147.3 | 0.4 | 109.9 | T511 | T511-R513 PolarHBondContact O-N 2.8Š| ||
| 514 | K | 40.7 | Very low | 35.5 | Very low | 187 Ų | 187 | 139.9 Ų | 139.9 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -57.4 | 148.4 | 149.6 | -82.7 | 174.6 | 172.6 | 174.2 | 0 | 108.4 | ||||
| 515 | S | 41.7 | Very low | 36.7 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | 82.7 | 90.3 | 176 | 81.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 516 | A | 32.1 | Very low | 37.9 | Very low | 102 Ų | 102 | 135 Ų | 135 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -172.3 | 64.5 | 137.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | A518 | A516-A518 VanDerWaalsContact C-N 3.32Å; A516-A518 PolarHBondContact O-N 3.39Å | ||
| 517 | V | 32.4 | Very low | 38.9 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | -89.1 | 84.1 | 157.8 | -176.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 518 | A | 31.8 | Very low | 40.3 | Very low | 80 Ų | 80 | 134 Ų | 134 | 66% | 0.661 | 79% | 0.793 | S | S | * | * | trans | -77.6 | 119.4 | 157.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | A516 L520 | A516-A518 VanDerWaalsContact C-N 3.32Å; A516-A518 PolarHBondContact O-N 3.39Å; A518-L520 PolarHBondContact O-N 2.61Å | ||
| 519 | N | 42.6 | Very low | 41.4 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -51.7 | 100.4 | 170.6 | -76.6 | -54.6 | 0 | 0 | 0 | 109.9 | ||||
| 520 | L | 36.1 | Very low | 42.5 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -93.3 | 112.4 | 161.3 | -77.7 | 163.6 | 0 | 0 | 0 | 106.7 | A518 | A518-L520 PolarHBondContact O-N 2.61Š| ||
| 521 | Q | 39.5 | Very low | 43.7 | Very low | 177 Ų | 177 | 129.7 Ų | 129.7 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -55.2 | 136.3 | 167.3 | -76.3 | -177.8 | -38 | 0 | 0 | 109.2 | V523 | Q521-V523 PolarHBondContact O-N 2.75Å; Q521-V523 VanDerWaalsContact O-N 3.09Å | ||
| 522 | P | 42.8 | Very low | 45.4 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | trans | -75.2 | 105.1 | -178.3 | 28.8 | -30.7 | 0 | 0 | 0 | 109.4 | ||||
| 523 | V | 47.2 | Very low | 46.8 | Very low | 140 Ų | 140 | 127.3 Ų | 127.3 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | trans | -87.6 | 112.7 | 165.7 | 177.4 | 0 | 0 | 0 | 0 | 108.2 | Q521 | Q521-V523 PolarHBondContact O-N 2.75Å; Q521-V523 VanDerWaalsContact O-N 3.09Å | ||
| 524 | G | 58.8 | Low | 48.6 | Very low | 69 Ų | 69 | 120.1 Ų | 120.1 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | 75.1 | 51.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 525 | L | 52.9 | Low | 50 | Low | 114 Ų | 114 | 114.2 Ų | 114.2 | 60% | 0.597 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 129.1 | 157.9 | -75.3 | 158.4 | 0 | 0 | 0 | 108.8 | I530 | L525-I530 HydrophobicContact CD1-CD1 3.67Š|
| 526 | P | 58.4 | Low | 51.4 | Low | 81 Ų | 81 | 114.1 Ų | 114.1 | 53% | 0.526 | 70% | 0.7 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 138.1 | 175.6 | -22.6 | 30.8 | 0 | 0 | 0 | 111.8 | G528 L529 | P526-G528 PolarHBondContact O-N 2.72Å; P526-L529 HydrophobicContact CB-CD1 3.87Å; P526-L529 HydrophobicContact CG-CD1 3.56Å; P526-L529 WeakPolarHBondContact O-CB 3.37Å; P526-L529 PolarHBondContact O-N 3.24Å; P526-L529 VanDerWaalsContact O-N 3.15Å |
| 527 | E | 50.9 | Low | 53.3 | Low | 210 Ų | 210 | 113.1 Ų | 113.1 | 98% | 0.981 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | 120.9 | 178.4 | -146.7 | 169.7 | -161.2 | 0 | 0 | 109.4 | ||
| 528 | G | 59.1 | Low | 55.3 | Low | 75 Ų | 75 | 109.6 Ų | 109.6 | 77% | 0.773 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.1 | -3.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | P526 | P526-G528 PolarHBondContact O-N 2.72Š|
| 529 | L | 52.7 | Low | 57.4 | Low | 119 Ų | 119 | 113.1 Ų | 113.1 | 62% | 0.623 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -79.6 | -20.7 | 177.5 | -133.6 | 142.5 | 0 | 0 | 0 | 113.1 | P526 | P526-L529 HydrophobicContact CB-CD1 3.87Å; P526-L529 HydrophobicContact CG-CD1 3.56Å; P526-L529 WeakPolarHBondContact O-CB 3.37Å; P526-L529 PolarHBondContact O-N 3.24Å; P526-L529 VanDerWaalsContact O-N 3.15Å |
| 530 | I | 51.7 | Low | 58.9 | Low | 122 Ų | 122 | 107.3 Ų | 107.3 | 63% | 0.626 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -116.9 | 120.3 | 171.6 | -59 | -179.5 | 0 | 0 | 0 | 106.7 | L525 | L525-I530 HydrophobicContact CD1-CD1 3.67Š|
| 531 | G | 57.5 | Low | 60.6 | Low | 52 Ų | 52 | 105.9 Ų | 105.9 | 54% | 0.536 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 160.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 532 | P | 64.1 | Low | 62.3 | Low | 120 Ų | 120 | 99.7 Ų | 99.7 | 78% | 0.779 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 135.6 | 176.1 | 24.3 | -32.9 | 0 | 0 | 0 | 109.5 | S534 | P532-S534 PolarHBondContact O-N 2.83Š|
| 533 | P | 61.7 | Low | 64 | Low | 93 Ų | 93 | 98.3 Ų | 98.3 | 60% | 0.604 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 134.4 | 177.9 | 28.4 | -34.8 | 0 | 0 | 0 | 108.8 | L535 | P533-L535 HydrophobicContact CB-CD1 4.2Å; P533-L535 HydrophobicContact CB-CG 4.01Å; P533-L535 HydrophobicContact CG-CD1 3.86Å; P533-L535 HydrophobicContact CG-CG 4.14Å; P533-L535 PolarHBondContact O-N 3.45Å |
| 534 | S | 64.8 | Low | 65.4 | Low | 82 Ų | 82 | 97.5 Ų | 97.5 | 57% | 0.573 | 58% | 0.581 | S | S | * | * | trans | -72.8 | 73.2 | 176.5 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | P532 L549 | P532-S534 PolarHBondContact O-N 2.83Å; S534-L549 PolarHBondContact O-N 2.88Å | ||
| 535 | L | 71.2 | Confident | 66.2 | Low | 63 Ų | 63 | 94.3 Ų | 94.3 | 33% | 0.33 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 126 | 176.4 | -62.4 | 173.7 | 0 | 0 | 0 | 109.1 | P533 D546 A547 L548 F559 | P533-L535 HydrophobicContact CB-CD1 4.2Å; P533-L535 HydrophobicContact CB-CG 4.01Å; P533-L535 HydrophobicContact CG-CD1 3.86Å; P533-L535 HydrophobicContact CG-CG 4.14Å; P533-L535 PolarHBondContact O-N 3.45Å; L535-D546 HydrophobicContact CB-CB 4.49Å; L535-A547 WeakPolarHBondContact CA-O 3.46Å; L535-L548 HydrophobicContact CD2-CB 4.28Å; L535-L548 HydrophobicContact CD2-CD1 4.08Å; L535-F559 HydrophobicContact CD2-CE2 4.21Å; L535-F559 HydrophobicContact CD2-CZ 4.42Å |
| 536 | E | 70.7 | Confident | 67.2 | Low | 116 Ų | 116 | 93.4 Ų | 93.4 | 54% | 0.542 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135.5 | 172.9 | -80.4 | -72.1 | 165.1 | 0 | 0 | 109.6 | L538 A547 L549 | E536-L538 PolarHBondContact O-N 3.1Å; E536-A547 PolarHBondContact N-O 3.08Å; E536-A547 PolarHBondContact O-N 3.33Å; E536-L549 HydrophobicContact CB-CD1 4.38Å; E536-L549 HydrophobicContact CG-CD1 4.15Å |
| 537 | P | 72.2 | Confident | 67.6 | Low | 82 Ų | 82 | 90 Ų | 90 | 53% | 0.532 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 111.9 | 176.7 | 28.3 | -32.7 | 0 | 0 | 0 | 110.3 | L544 | P537-L544 HydrophobicContact CB-CD2 3.97Å |
| 538 | L | 73.6 | Confident | 68.4 | Low | 66 Ų | 66 | 83.2 Ų | 83.2 | 35% | 0.346 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 147.8 | 175.4 | -166.1 | 80.4 | 0 | 0 | 0 | 110.3 | E536 I540 L544 C545 A547 V555 | E536-L538 PolarHBondContact O-N 3.1Å; L538-I540 HydrophobicContact CD2-CD1 4.03Å; L538-I540 HydrophobicContact CD2-CG1 3.72Å; L538-I540 HydrophobicContact CG-CG1 4.36Å; L538-L544 CarbonylContact O-C 3.59Å; L538-L544 WeakPolarHBondContact O-CA 3.24Å; L538-C545 PolarHBondContact N-O 3.48Å; L538-C545 PolarHBondContact O-N 3.24Å; L538-A547 HydrophobicContact CB-CB 4.29Å; L538-V555 HydrophobicContact CD2-CG1 4Å; L538-V555 HydrophobicContact CD2-CG2 3.92Å |
| 539 | K | 77.8 | Confident | 68.5 | Low | 153 Ų | 153 | 85.4 Ų | 85.4 | 67% | 0.665 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 111.6 | 172.6 | -166.7 | 169.6 | 177.1 | 171.3 | 0 | 110.1 | G542 Q543 | K539-G542 WeakPolarHBondContact CE-O 3.49Å; K539-Q543 CarbonylContact C-O 3.54Å; K539-Q543 WeakPolarHBondContact CA-O 3.12Å |
| 540 | I | 73.4 | Confident | 68.8 | Low | 37 Ų | 37 | 84 Ų | 84 | 19% | 0.19 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 123.6 | 175.5 | -55.2 | 173.4 | 0 | 0 | 0 | 107.8 | L538 G542 Q543 C545 I558 W562 L567 | L538-I540 HydrophobicContact CD2-CD1 4.03Å; L538-I540 HydrophobicContact CD2-CG1 3.72Å; L538-I540 HydrophobicContact CG-CG1 4.36Å; I540-G542 PolarHBondContact O-N 2.96Å; I540-G542 VanDerWaalsContact O-N 3.11Å; I540-Q543 PolarHBondContact N-O 3.29Å; I540-Q543 PolarHBondContact O-N 3.21Å; I540-C545 HydrophobicContact CD1-CB 4.26Å; I540-I558 HydrophobicContact CD1-CG2 3.66Å; I540-W562 HydrophobicContact CB-CH2 3.76Å; I540-W562 HydrophobicContact CB-CZ2 4.48Å; I540-W562 HydrophobicContact CB-CZ3 4.41Å; I540-W562 HydrophobicContact CD1-CH2 4.43Å; I540-W562 HydrophobicContact CD1-CZ3 4.4Å; I540-W562 HydrophobicContact CG2-CH2 4.18Å; I540-L567 HydrophobicContact CG2-CD1 4.05Å |
| 541 | N | 71.3 | Confident | 68.8 | Low | 133 Ų | 133 | 84.4 Ų | 84.4 | 71% | 0.711 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 36.7 | -176.5 | -73 | -7.2 | 0 | 0 | 0 | 114.6 | Q543 L567 | N541-Q543 VanDerWaalsContact C-N 3.29Å; N541-Q543 PolarHBondContact O-N 3.09Å; N541-L567 WeakPolarHBondContact ND2-CD2 3.47Å |
| 542 | G | 76.3 | Confident | 68.6 | Low | 47 Ų | 47 | 85.1 Ų | 85.1 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -8.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K539 I540 | K539-G542 WeakPolarHBondContact CE-O 3.49Å; I540-G542 PolarHBondContact O-N 2.96Å; I540-G542 VanDerWaalsContact O-N 3.11Å |
| 543 | Q | 77.2 | Confident | 68 | Low | 90 Ų | 90 | 83 Ų | 83 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 138.5 | -176.9 | -61.7 | -63.8 | -16.6 | 0 | 0 | 111.1 | K539 I540 N541 W562 Y566 | K539-Q543 CarbonylContact C-O 3.54Å; K539-Q543 WeakPolarHBondContact CA-O 3.12Å; I540-Q543 PolarHBondContact N-O 3.29Å; I540-Q543 PolarHBondContact O-N 3.21Å; N541-Q543 VanDerWaalsContact C-N 3.29Å; N541-Q543 PolarHBondContact O-N 3.09Å; Q543-W562 HydrophobicContact CB-CH2 4.32Å; Q543-W562 HydrophobicContact CB-CZ2 3.64Å; Q543-Y566 HydrophobicContact CB-CD1 4.45Å; Q543-Y566 HydrophobicContact CB-CG 4.42Å; Q543-Y566 HydrophobicContact CG-CD1 3.89Å; Q543-Y566 HydrophobicContact CG-CE1 4.35Å; Q543-Y566 HydrophobicContact CG-CG 4.27Å |
| 544 | L | 76.3 | Confident | 67.5 | Low | 123 Ų | 123 | 90.6 Ų | 90.6 | 64% | 0.644 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 132.6 | 177.7 | -87.3 | 148 | 0 | 0 | 0 | 110.8 | P537 L538 W562 | P537-L544 HydrophobicContact CB-CD2 3.97Å; L538-L544 CarbonylContact O-C 3.59Å; L538-L544 WeakPolarHBondContact O-CA 3.24Å; L544-W562 PolarHBondContact O-NE1 2.82Å |
| 545 | C | 76.4 | Confident | 67 | Low | 2 Ų | 2 | 90.6 Ų | 90.6 | 1% | 0.014 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 130.8 | 178.6 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | L538 I540 A547 W562 | L538-C545 PolarHBondContact N-O 3.48Å; L538-C545 PolarHBondContact O-N 3.24Å; I540-C545 HydrophobicContact CD1-CB 4.26Å; C545-A547 PolarHBondContact O-N 3.36Å; C545-W562 HydrophobicContact CB-CD2 4Å; C545-W562 HydrophobicContact CB-CG 4.43Å; C545-W562 HydrophobicContact CB-CH2 4.39Å; C545-W562 HydrophobicContact CB-CZ2 3.77Å |
| 546 | D | 73.4 | Confident | 66.2 | Low | 96 Ų | 96 | 90.1 Ų | 90.1 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 110.4 | 169.8 | -60.3 | -34.5 | 0 | 0 | 0 | 108.4 | L535 | L535-D546 HydrophobicContact CB-CB 4.49Å |
| 547 | A | 68.1 | Low | 66 | Low | 8 Ų | 8 | 88.9 Ų | 88.9 | 7% | 0.066 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 138.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L535 E536 L538 C545 V555 | L535-A547 WeakPolarHBondContact CA-O 3.46Å; E536-A547 PolarHBondContact N-O 3.08Å; E536-A547 PolarHBondContact O-N 3.33Å; L538-A547 HydrophobicContact CB-CB 4.29Å; C545-A547 PolarHBondContact O-N 3.36Å; A547-V555 HydrophobicContact CB-CG1 4.48Å |
| 548 | L | 66.4 | Low | 65.8 | Low | 69 Ų | 69 | 87.5 Ų | 87.5 | 36% | 0.361 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 125 | 175.4 | -169.6 | 75.5 | 0 | 0 | 0 | 110 | L535 I557 | L535-L548 HydrophobicContact CD2-CB 4.28Å; L535-L548 HydrophobicContact CD2-CD1 4.08Å; L548-I557 HydrophobicContact CD2-CD1 4.27Å |
| 549 | L | 62.8 | Low | 65.9 | Low | 121 Ų | 121 | 89.3 Ų | 89.3 | 63% | 0.634 | 49% | 0.491 | S | S | * | . | trans | -81.2 | 119.5 | 177.3 | -150.8 | 89.9 | 0 | 0 | 0 | 110.2 | S534 E536 | S534-L549 PolarHBondContact O-N 2.88Å; E536-L549 HydrophobicContact CB-CD1 4.38Å; E536-L549 HydrophobicContact CG-CD1 4.15Å | ||
| 550 | D | 58.6 | Low | 65.9 | Low | 90 Ų | 90 | 87.9 Ų | 87.9 | 48% | 0.481 | 49% | 0.487 | S | S | . | . | trans | -112.9 | 137.2 | 172.7 | -171.8 | 11.5 | 0 | 0 | 0 | 109.5 | G552 | D550-G552 PolarHBondContact O-N 3.15Š| ||
| 551 | S | 50 | Low | 66.1 | Low | 130 Ų | 130 | 90.6 Ų | 90.6 | 91% | 0.909 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 4.7 | -165.2 | 59.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 552 | G | 53.6 | Low | 66.7 | Low | 66 Ų | 66 | 85.7 Ų | 85.7 | 68% | 0.68 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.2 | 10.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | D550 | D550-G552 PolarHBondContact O-N 3.15Š|
| 553 | S | 52 | Low | 66.9 | Low | 75 Ų | 75 | 85.3 Ų | 85.3 | 52% | 0.524 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -144.9 | 147.9 | -175.5 | -70.3 | 0 | 0 | 0 | 0 | 113.4 | V555 S556 | S553-V555 PolarHBondContact O-N 3.18Å; S553-V555 VanDerWaalsContact O-N 3.08Å; S553-S556 VanDerWaalsContact CB-OG 3.24Å; S553-S556 WeakPolarHBondContact CB-OG 3.49Å |
| 554 | R | 51.6 | Low | 67 | Low | 254 Ų | 254 | 88.9 Ų | 88.9 | 96% | 0.958 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -76.3 | 91 | 166.2 | -74.8 | -177.5 | 175.4 | 160.4 | -0.1 | 108.6 | ||
| 555 | V | 53.2 | Low | 67.3 | Low | 81 Ų | 81 | 91.8 Ų | 91.8 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | trans | 62.4 | 109 | 172 | -172.4 | 0 | 0 | 0 | 0 | 114.5 | L538 A547 S553 | L538-V555 HydrophobicContact CD2-CG1 4Å; L538-V555 HydrophobicContact CD2-CG2 3.92Å; A547-V555 HydrophobicContact CB-CG1 4.48Å; S553-V555 PolarHBondContact O-N 3.18Å; S553-V555 VanDerWaalsContact O-N 3.08Å | ||
| 556 | S | 55.8 | Low | 67.6 | Low | 53 Ų | 53 | 95.7 Ų | 95.7 | 37% | 0.371 | 49% | 0.492 | S | S | . | . | trans | -106.3 | -27.1 | -168.2 | -53.1 | 0 | 0 | 0 | 0 | 115.9 | S553 | S553-S556 VanDerWaalsContact CB-OG 3.24Å; S553-S556 WeakPolarHBondContact CB-OG 3.49Å | ||
| 557 | I | 65.1 | Low | 67.9 | Low | 90 Ų | 90 | 92 Ų | 92 | 46% | 0.462 | 47% | 0.472 | S | S | . | . | trans | -147.4 | 123.1 | -173.1 | -51 | 178.6 | 0 | 0 | 0 | 111.9 | L548 | L548-I557 HydrophobicContact CD2-CD1 4.27Š| ||
| 558 | I | 69.7 | Low | 68.4 | Low | 53 Ų | 53 | 95.7 Ų | 95.7 | 27% | 0.272 | 50% | 0.497 | S | S | . | . | trans | -106.1 | 140.3 | 161.7 | 58.9 | 175.7 | 0 | 0 | 0 | 109.1 | I540 W562 Y563 L567 | I540-I558 HydrophobicContact CD1-CG2 3.66Å; I558-W562 HydrophobicContact CD1-CE3 4.37Å; I558-Y563 HydrophobicContact CD1-CD2 4.21Å; I558-L567 HydrophobicContact CD1-CD1 4.18Å | ||
| 559 | F | 75.6 | Confident | 69.2 | Low | 105 Ų | 105 | 98.6 Ų | 98.6 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | trans | -67.8 | 140.5 | 178.6 | -67.3 | -78.1 | 0 | 0 | 0 | 111.2 | L535 S561 W562 Y563 | L535-F559 HydrophobicContact CD2-CE2 4.21Å; L535-F559 HydrophobicContact CD2-CZ 4.42Å; F559-S561 PolarHBondContact O-N 3.43Å; F559-W562 WeakPolarHBondContact O-CB 3.47Å; F559-W562 PolarHBondContact O-N 3.37Å; F559-Y563 PolarHBondContact O-N 3.33Å; F559-Y563 VanDerWaalsContact O-N 3.09Å | ||
| 560 | E | 76.6 | Confident | 70 | Confident | 123 Ų | 123 | 95.8 Ų | 95.8 | 58% | 0.575 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.1 | -36 | -177.9 | -175.4 | 178 | -168.3 | 0 | 0 | 112.7 | W562 Y563 R564 | E560-W562 VanDerWaalsContact C-N 3.28Å; E560-W562 PolarHBondContact O-N 3.11Å; E560-Y563 PolarHBondContact O-N 2.98Å; E560-R564 HydrophobicContact CG-CG 4.39Å; E560-R564 WeakPolarHBondContact O-CG 3.4Å; E560-R564 PolarHBondContact O-N 2.8Å; E560-R564 IonicContact OE1-CZ 3.29Å; E560-R564 VanDerWaalsContact OE1-CZ 3.29Å; E560-R564 IonicContact OE1-NE 3.24Å; E560-R564 PolarHBondContact OE1-NE 3.47Å; E560-R564 IonicContact OE1-NH2 2.65Å; E560-R564 PolarHBondContact OE1-NH2 3.36Å; E560-R564 IonicContact OE2-NH2 3.86Å |
| 561 | S | 78.2 | Confident | 71 | Confident | 94 Ų | 94 | 95.7 Ų | 95.7 | 66% | 0.657 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.5 | -36.7 | 176.5 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | F559 | F559-S561 PolarHBondContact O-N 3.43Å |
| 562 | W | 84.3 | Confident | 72.3 | Confident | 29 Ų | 29 | 95.5 Ų | 95.5 | 11% | 0.11 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -76 | -45.8 | 177.8 | -169.1 | 100.3 | 0 | 0 | 0 | 111 | I540 Q543 L544 C545 I558 F559 E560 R564 R565 Y566 L567 | I540-W562 HydrophobicContact CB-CH2 3.76Å; I540-W562 HydrophobicContact CB-CZ2 4.48Å; I540-W562 HydrophobicContact CB-CZ3 4.41Å; I540-W562 HydrophobicContact CD1-CH2 4.43Å; I540-W562 HydrophobicContact CD1-CZ3 4.4Å; I540-W562 HydrophobicContact CG2-CH2 4.18Å; Q543-W562 HydrophobicContact CB-CH2 4.32Å; Q543-W562 HydrophobicContact CB-CZ2 3.64Å; L544-W562 PolarHBondContact O-NE1 2.82Å; C545-W562 HydrophobicContact CB-CD2 4Å; C545-W562 HydrophobicContact CB-CG 4.43Å; C545-W562 HydrophobicContact CB-CH2 4.39Å; C545-W562 HydrophobicContact CB-CZ2 3.77Å; I558-W562 HydrophobicContact CD1-CE3 4.37Å; F559-W562 WeakPolarHBondContact O-CB 3.47Å; F559-W562 PolarHBondContact O-N 3.37Å; E560-W562 VanDerWaalsContact C-N 3.28Å; E560-W562 PolarHBondContact O-N 3.11Å; W562-R564 PolarHBondContact O-N 2.85Å; W562-R565 PolarHBondContact O-N 2.85Å; W562-Y566 AromaticContact CD1-CD2 3.79Å; W562-Y566 AromaticContact CD1-CE2 3.85Å; W562-Y566 AromaticContact CD2-CD2 3.75Å; W562-Y566 HydrophobicContact CD2-CD2 3.75Å; W562-Y566 AromaticContact CE2-CD2 3.46Å; W562-Y566 VanDerWaalsContact CE2-CD2 3.46Å; W562-Y566 HydrophobicContact CE3-CD2 4.46Å; W562-Y566 AromaticContact CG-CD2 3.93Å; W562-Y566 HydrophobicContact CG-CD2 3.93Å; W562-Y566 HydrophobicContact CG-CE2 4.38Å; W562-Y566 AromaticContact CZ2-CD2 3.94Å; W562-Y566 HydrophobicContact CZ2-CD2 3.94Å; W562-Y566 HydrophobicContact CZ2-CG 4.24Å; W562-Y566 AromaticContact NE1-CD2 3.5Å; W562-Y566 AromaticContact NE1-CE2 3.67Å; W562-Y566 WeakPolarHBondContact O-CD2 3.16Å; W562-Y566 PolarHBondContact O-N 3.42Å; W562-L567 HydrophobicContact CH2-CD1 4.32Å; W562-L567 HydrophobicContact CH2-CG 4.3Å; W562-L567 HydrophobicContact CZ3-CD1 3.59Å; W562-L567 HydrophobicContact CZ3-CG 3.75Å |
| 563 | Y | 80.3 | Confident | 73.3 | Confident | 40 Ų | 40 | 99.4 Ų | 99.4 | 16% | 0.157 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -55.1 | -48.5 | 175.8 | 166.8 | -89.6 | 0 | 0 | 0 | 111.6 | I558 F559 E560 R565 Y566 L567 S568 T570 I572 | I558-Y563 HydrophobicContact CD1-CD2 4.21Å; F559-Y563 PolarHBondContact O-N 3.33Å; F559-Y563 VanDerWaalsContact O-N 3.09Å; E560-Y563 PolarHBondContact O-N 2.98Å; Y563-R565 PolarHBondContact O-N 3.49Å; Y563-R565 VanDerWaalsContact O-N 3.14Å; Y563-Y566 PolarHBondContact O-N 3.07Å; Y563-L567 HydrophobicContact CD2-CB 3.82Å; Y563-L567 HydrophobicContact CE2-CB 4.12Å; Y563-L567 WeakPolarHBondContact CE2-O 3.41Å; Y563-L567 CarbonylContact O-C 3.54Å; Y563-L567 VanDerWaalsContact O-C 3.3Å; Y563-L567 WeakPolarHBondContact O-CA 3.39Å; Y563-L567 PolarHBondContact O-N 3.02Å; Y563-S568 PolarHBondContact O-N 3.22Å; Y563-T570 WeakPolarHBondContact CE2-O 3.45Å; Y563-T570 PolarHBondContact OH-O 3.25Å; Y563-I572 HydrophobicContact CD1-CD1 4.01Å; Y563-I572 HydrophobicContact CD2-CD1 4.4Å; Y563-I572 HydrophobicContact CD2-CG1 4.48Å; Y563-I572 HydrophobicContact CE1-CD1 3.51Å; Y563-I572 HydrophobicContact CE1-CG1 4.14Å; Y563-I572 HydrophobicContact CE2-CD1 3.9Å; Y563-I572 HydrophobicContact CE2-CG1 3.7Å; Y563-I572 HydrophobicContact CG-CD1 4.45Å; Y563-I572 VanDerWaalsContact CZ-CD1 3.44Å; Y563-I572 WeakPolarHBondContact OH-CG1 3.27Å |
| 564 | R | 79.7 | Confident | 74.3 | Confident | 164 Ų | 164 | 100.5 Ų | 100.5 | 62% | 0.619 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.8 | -26.8 | 179.1 | -72.9 | -178.8 | -173.7 | -177 | 2.5 | 113.2 | E560 W562 S568 | E560-R564 HydrophobicContact CG-CG 4.39Å; E560-R564 WeakPolarHBondContact O-CG 3.4Å; E560-R564 PolarHBondContact O-N 2.8Å; E560-R564 IonicContact OE1-CZ 3.29Å; E560-R564 VanDerWaalsContact OE1-CZ 3.29Å; E560-R564 IonicContact OE1-NE 3.24Å; E560-R564 PolarHBondContact OE1-NE 3.47Å; E560-R564 IonicContact OE1-NH2 2.65Å; E560-R564 PolarHBondContact OE1-NH2 3.36Å; E560-R564 IonicContact OE2-NH2 3.86Å; W562-R564 PolarHBondContact O-N 2.85Å; R564-S568 WeakPolarHBondContact O-CB 3.42Å |
| 565 | R | 82.9 | Confident | 74.8 | Confident | 185 Ų | 185 | 95.8 Ų | 95.8 | 70% | 0.698 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -88 | -34.1 | -176.3 | -172 | 170.1 | 178.5 | 168.6 | -0.6 | 113.2 | W562 Y563 | W562-R565 PolarHBondContact O-N 2.85Å; Y563-R565 PolarHBondContact O-N 3.49Å; Y563-R565 VanDerWaalsContact O-N 3.14Å |
| 566 | Y | 81.7 | Confident | 75.1 | Confident | 83 Ų | 83 | 96.7 Ų | 96.7 | 33% | 0.325 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -126.6 | -11.8 | -168.5 | -58.2 | -68 | 0 | 0 | 0 | 115.3 | Q543 W562 Y563 | Q543-Y566 HydrophobicContact CB-CD1 4.45Å; Q543-Y566 HydrophobicContact CB-CG 4.42Å; Q543-Y566 HydrophobicContact CG-CD1 3.89Å; Q543-Y566 HydrophobicContact CG-CE1 4.35Å; Q543-Y566 HydrophobicContact CG-CG 4.27Å; W562-Y566 AromaticContact CD1-CD2 3.79Å; W562-Y566 AromaticContact CD1-CE2 3.85Å; W562-Y566 AromaticContact CD2-CD2 3.75Å; W562-Y566 HydrophobicContact CD2-CD2 3.75Å; W562-Y566 AromaticContact CE2-CD2 3.46Å; W562-Y566 VanDerWaalsContact CE2-CD2 3.46Å; W562-Y566 HydrophobicContact CE3-CD2 4.46Å; W562-Y566 AromaticContact CG-CD2 3.93Å; W562-Y566 HydrophobicContact CG-CD2 3.93Å; W562-Y566 HydrophobicContact CG-CE2 4.38Å; W562-Y566 AromaticContact CZ2-CD2 3.94Å; W562-Y566 HydrophobicContact CZ2-CD2 3.94Å; W562-Y566 HydrophobicContact CZ2-CG 4.24Å; W562-Y566 AromaticContact NE1-CD2 3.5Å; W562-Y566 AromaticContact NE1-CE2 3.67Å; W562-Y566 WeakPolarHBondContact O-CD2 3.16Å; W562-Y566 PolarHBondContact O-N 3.42Å; Y563-Y566 PolarHBondContact O-N 3.07Å |
| 567 | L | 80.2 | Confident | 74.5 | Confident | 18 Ų | 18 | 107.8 Ų | 107.8 | 9% | 0.094 | 55% | 0.549 | C | S | . | . | trans | -138.8 | 27.1 | -178.9 | -66.3 | -178.8 | 0 | 0 | 0 | 112.7 | I540 N541 I558 W562 Y563 D569 T570 | I540-L567 HydrophobicContact CG2-CD1 4.05Å; N541-L567 WeakPolarHBondContact ND2-CD2 3.47Å; I558-L567 HydrophobicContact CD1-CD1 4.18Å; W562-L567 HydrophobicContact CH2-CD1 4.32Å; W562-L567 HydrophobicContact CH2-CG 4.3Å; W562-L567 HydrophobicContact CZ3-CD1 3.59Å; W562-L567 HydrophobicContact CZ3-CG 3.75Å; Y563-L567 HydrophobicContact CD2-CB 3.82Å; Y563-L567 HydrophobicContact CE2-CB 4.12Å; Y563-L567 WeakPolarHBondContact CE2-O 3.41Å; Y563-L567 CarbonylContact O-C 3.54Å; Y563-L567 VanDerWaalsContact O-C 3.3Å; Y563-L567 WeakPolarHBondContact O-CA 3.39Å; Y563-L567 PolarHBondContact O-N 3.02Å; L567-D569 VanDerWaalsContact C-OD1 3.25Å; L567-D569 WeakPolarHBondContact CA-OD1 3.16Å; L567-D569 PolarHBondContact O-N 2.88Å; L567-D569 VanDerWaalsContact O-N 3.14Å; L567-T570 PolarHBondContact O-N 3.41Å | ||
| 568 | S | 78.3 | Confident | 75 | Confident | 86 Ų | 86 | 108.7 Ų | 108.7 | 60% | 0.601 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -17.4 | -178.1 | 52.3 | 0 | 0 | 0 | 0 | 113.9 | Y563 R564 | Y563-S568 PolarHBondContact O-N 3.22Å; R564-S568 WeakPolarHBondContact O-CB 3.42Å |
| 569 | D | 82.9 | Confident | 75.3 | Confident | 131 Ų | 131 | 111.6 Ų | 111.6 | 70% | 0.701 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -15.1 | 174.2 | 60.4 | -29.2 | 0 | 0 | 0 | 113.7 | L567 | L567-D569 VanDerWaalsContact C-OD1 3.25Å; L567-D569 WeakPolarHBondContact CA-OD1 3.16Å; L567-D569 PolarHBondContact O-N 2.88Å; L567-D569 VanDerWaalsContact O-N 3.14Å |
| 570 | T | 79.7 | Confident | 75.2 | Confident | 62 Ų | 62 | 112 Ų | 112 | 38% | 0.38 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -94 | 113.7 | -177.4 | -56.2 | 0 | 0 | 0 | 0 | 110.8 | Y563 L567 I572 | Y563-T570 WeakPolarHBondContact CE2-O 3.45Å; Y563-T570 PolarHBondContact OH-O 3.25Å; L567-T570 PolarHBondContact O-N 3.41Å; T570-I572 PolarHBondContact O-N 2.98Å |
| 571 | P | 79.4 | Confident | 75.2 | Confident | 88 Ų | 88 | 111.4 Ų | 111.4 | 57% | 0.571 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 131.8 | -174.5 | 24.1 | -32.2 | 0 | 0 | 0 | 113.3 | ||
| 572 | I | 77.6 | Confident | 75 | Confident | 125 Ų | 125 | 112.4 Ų | 112.4 | 64% | 0.641 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 118.3 | 172.8 | -63.2 | 166.7 | 0 | 0 | 0 | 109.4 | Y563 T570 | Y563-I572 HydrophobicContact CD1-CD1 4.01Å; Y563-I572 HydrophobicContact CD2-CD1 4.4Å; Y563-I572 HydrophobicContact CD2-CG1 4.48Å; Y563-I572 HydrophobicContact CE1-CD1 3.51Å; Y563-I572 HydrophobicContact CE1-CG1 4.14Å; Y563-I572 HydrophobicContact CE2-CD1 3.9Å; Y563-I572 HydrophobicContact CE2-CG1 3.7Å; Y563-I572 HydrophobicContact CG-CD1 4.45Å; Y563-I572 VanDerWaalsContact CZ-CD1 3.44Å; Y563-I572 WeakPolarHBondContact OH-CG1 3.27Å; T570-I572 PolarHBondContact O-N 2.98Å |
| 573 | H | 75.7 | Confident | 74.4 | Confident | 148 Ų | 148 | 118 Ų | 118 | 69% | 0.685 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 131.6 | 172.3 | -63.3 | -65.5 | 0 | 0 | 0 | 110.9 | ||
| 574 | P | 71.3 | Confident | 73.9 | Confident | 99 Ų | 99 | 123.6 Ų | 123.6 | 64% | 0.643 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 147.2 | 174.8 | 28.5 | -32.8 | 0 | 0 | 0 | 111.2 | S576 | P574-S576 PolarHBondContact O-N 3.5Š|
| 575 | V | 63.8 | Low | 73.5 | Confident | 155 Ų | 155 | 120.5 Ų | 120.5 | 94% | 0.939 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -78.3 | 7.5 | -174.1 | -176.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 576 | S | 58.4 | Low | 72.7 | Confident | 100 Ų | 100 | 115.1 Ų | 115.1 | 70% | 0.699 | 63% | 0.627 | S | S | * | * | trans | -142.2 | 136.5 | 175.6 | 61.3 | 0 | 0 | 0 | 0 | 113.7 | P574 | P574-S576 PolarHBondContact O-N 3.5Š| ||
| 577 | K | 43.6 | Very low | 71.9 | Confident | 286 Ų | 286 | 118 Ų | 118 | 100% | 1.243 | 65% | 0.654 | S | S | * | * | trans | -113.1 | 0 | 157.1 | -93.2 | -171 | 178.1 | 179.6 | 0 | 108.6 |
Retrieved 577 of 577 residues in 574.4 ms
(Link to these results)