| 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 | 81.3 | Confident | 95.2 | Very high | 151 Ų | 151 | 74.5 Ų | 74.5 | 74% | 0.744 | 36% | 0.355 | S | S | * | . | 0 | -58.8 | 0 | -169.1 | -173.6 | -70.2 | 0 | 0 | 110.3 | D3 E4 A5 | M1-D3 PolarHBondContact O-N 2.97Å; M1-E4 PolarHBondContact O-N 2.83Å; M1-A5 PolarHBondContact O-N 3.21Å | |||
| 2 | E | 87.9 | Confident | 95.5 | Very high | 96 Ų | 96 | 69.5 Ų | 69.5 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.8 | -39.8 | -177 | -65.1 | 179.8 | 177.1 | 0 | 0 | 114.3 | E4 A5 Y6 | E2-E4 VanDerWaalsContact C-N 3.32Å; E2-E4 PolarHBondContact O-N 2.83Å; E2-A5 PolarHBondContact O-N 3.09Å; E2-Y6 WeakPolarHBondContact O-CB 3.39Å; E2-Y6 PolarHBondContact O-N 3.44Å |
| 3 | D | 93.6 | Very high | 95.7 | Very high | 98 Ų | 98 | 64.2 Ų | 64.2 | 52% | 0.524 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 176.7 | -75.3 | -28.2 | 0 | 0 | 0 | 113.6 | M1 K7 R133 | M1-D3 PolarHBondContact O-N 2.97Å; D3-K7 WeakPolarHBondContact O-CG 3.23Å; D3-K7 PolarHBondContact O-N 2.84Å; D3-R133 IonicContact OD1-NH1 3.21Å; D3-R133 PolarHBondContact OD1-NH1 2.86Å |
| 4 | E | 96.9 | Very high | 95.9 | Very high | 111 Ų | 111 | 66.8 Ų | 66.8 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -72.1 | -45.5 | 176 | -175.5 | 176.5 | -168.6 | 0 | 0 | 110.3 | M1 E2 Y6 K7 V8 F61 | M1-E4 PolarHBondContact O-N 2.83Å; E2-E4 VanDerWaalsContact C-N 3.32Å; E2-E4 PolarHBondContact O-N 2.83Å; E4-Y6 PolarHBondContact O-N 3.33Å; E4-K7 PolarHBondContact O-N 3.36Å; E4-K7 VanDerWaalsContact O-N 3.16Å; E4-V8 HydrophobicContact CG-CG2 4.42Å; E4-V8 WeakPolarHBondContact O-CG2 3.31Å; E4-V8 PolarHBondContact O-N 3.36Å; E4-F61 HydrophobicContact CG-CZ 4.31Å |
| 5 | A | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.9 | -41.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1 E2 V8 V9 F61 W86 L110 I118 | M1-A5 PolarHBondContact O-N 3.21Å; E2-A5 PolarHBondContact O-N 3.09Å; A5-V8 PolarHBondContact O-N 2.82Å; A5-V9 WeakPolarHBondContact O-CB 3.49Å; A5-V9 WeakPolarHBondContact O-CG1 3.46Å; A5-V9 PolarHBondContact O-N 3.4Å; A5-F61 VanDerWaalsContact CA-CZ 3.47Å; A5-F61 HydrophobicContact CB-CE1 4.4Å; A5-F61 HydrophobicContact CB-CE2 4.11Å; A5-F61 HydrophobicContact CB-CZ 3.79Å; A5-W86 HydrophobicContact CB-CH2 3.97Å; A5-W86 HydrophobicContact CB-CZ2 3.9Å; A5-L110 HydrophobicContact CB-CD2 4.14Å; A5-I118 HydrophobicContact CB-CD1 3.97Å |
| 6 | Y | 98.2 | Very high | 96.2 | Very high | 38 Ų | 38 | 63.3 Ų | 63.3 | 15% | 0.149 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 176.5 | -173.1 | -114.9 | 0 | 0 | 0 | 112.4 | E2 E4 V9 L10 I118 V120 T131 R133 | E2-Y6 WeakPolarHBondContact O-CB 3.39Å; E2-Y6 PolarHBondContact O-N 3.44Å; E4-Y6 PolarHBondContact O-N 3.33Å; Y6-V9 WeakPolarHBondContact O-CG1 3.19Å; Y6-L10 HydrophobicContact CD1-CD1 4.05Å; Y6-L10 HydrophobicContact CE1-CD1 3.61Å; Y6-L10 HydrophobicContact CE1-CG 4.48Å; Y6-L10 HydrophobicContact CE2-CD1 4.33Å; Y6-L10 HydrophobicContact CE2-CD2 4.47Å; Y6-L10 HydrophobicContact CE2-CG 4.42Å; Y6-L10 VanDerWaalsContact O-CG 3.26Å; Y6-L10 WeakPolarHBondContact O-CG 3.35Å; Y6-L10 PolarHBondContact O-N 2.95Å; Y6-L10 VanDerWaalsContact O-N 3.16Å; Y6-I118 HydrophobicContact CD2-CD1 4.49Å; Y6-I118 HydrophobicContact CD2-CG2 3.73Å; Y6-I118 HydrophobicContact CE2-CG2 4.29Å; Y6-V120 HydrophobicContact CE2-CG2 4.46Å; Y6-T131 VanDerWaalsContact OH-CB 3.23Å; Y6-T131 WeakPolarHBondContact OH-CB 3.35Å; Y6-T131 PolarHBondContact OH-OG1 3.17Å; Y6-R133 HydrophobicContact CD2-CG 3.69Å; Y6-R133 HydrophobicContact CE2-CG 3.81Å; Y6-R133 HydrophobicContact CG-CG 4.15Å |
| 7 | K | 98.1 | Very high | 96.3 | Very high | 155 Ų | 155 | 59.6 Ų | 59.6 | 67% | 0.674 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.4 | -44.6 | 177.4 | -70.8 | 172.4 | -176.1 | 176.8 | 0 | 112 | D3 E4 L10 Q11 | D3-K7 WeakPolarHBondContact O-CG 3.23Å; D3-K7 PolarHBondContact O-N 2.84Å; E4-K7 PolarHBondContact O-N 3.36Å; E4-K7 VanDerWaalsContact O-N 3.16Å; K7-L10 PolarHBondContact O-N 3.25Å; K7-Q11 PolarHBondContact O-N 3.32Å |
| 8 | V | 98.4 | Very high | 96.3 | Very high | 19 Ų | 19 | 59.6 Ų | 59.6 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 179.9 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | E4 A5 L10 Q11 L12 L57 K60 F61 | E4-V8 HydrophobicContact CG-CG2 4.42Å; E4-V8 WeakPolarHBondContact O-CG2 3.31Å; E4-V8 PolarHBondContact O-N 3.36Å; A5-V8 PolarHBondContact O-N 2.82Å; V8-L10 VanDerWaalsContact C-N 3.33Å; V8-L10 PolarHBondContact O-N 3.16Å; V8-Q11 PolarHBondContact O-N 2.92Å; V8-L12 HydrophobicContact CG1-CD1 3.76Å; V8-L12 HydrophobicContact CG1-CG 4.35Å; V8-L12 WeakPolarHBondContact O-CG 3.34Å; V8-L12 PolarHBondContact O-N 2.96Å; V8-L57 HydrophobicContact CG1-CD2 4.11Å; V8-K60 HydrophobicContact CG1-CB 4.47Å; V8-K60 HydrophobicContact CG1-CG 4.1Å; V8-K60 HydrophobicContact CG2-CG 4.15Å; V8-F61 HydrophobicContact CB-CE2 4.19Å; V8-F61 HydrophobicContact CG1-CE2 4.19Å; V8-F61 HydrophobicContact CG2-CE2 4.34Å; V8-F61 HydrophobicContact CG2-CZ 4.42Å |
| 9 | V | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.6 | -36.4 | -177.7 | 74.2 | 0 | 0 | 0 | 0 | 112.1 | A5 Y6 Q11 L12 V13 W86 I108 I118 V120 | A5-V9 WeakPolarHBondContact O-CB 3.49Å; A5-V9 WeakPolarHBondContact O-CG1 3.46Å; A5-V9 PolarHBondContact O-N 3.4Å; Y6-V9 WeakPolarHBondContact O-CG1 3.19Å; V9-Q11 VanDerWaalsContact C-N 3.32Å; V9-Q11 PolarHBondContact O-N 3.45Å; V9-L12 PolarHBondContact O-N 3.16Å; V9-V13 HydrophobicContact CG2-CG2 4.06Å; V9-V13 WeakPolarHBondContact O-CB 3.45Å; V9-V13 VanDerWaalsContact O-CG2 3.23Å; V9-V13 WeakPolarHBondContact O-CG2 3.35Å; V9-V13 PolarHBondContact O-N 2.83Å; V9-W86 HydrophobicContact CB-CH2 3.94Å; V9-W86 HydrophobicContact CB-CZ3 3.92Å; V9-W86 HydrophobicContact CG1-CH2 4.34Å; V9-W86 HydrophobicContact CG1-CZ3 4.32Å; V9-W86 HydrophobicContact CG2-CH2 4.32Å; V9-W86 HydrophobicContact CG2-CZ3 3.81Å; V9-I108 HydrophobicContact CG2-CB 4.41Å; V9-I108 HydrophobicContact CG2-CD1 3.58Å; V9-I108 HydrophobicContact CG2-CG1 3.97Å; V9-I108 HydrophobicContact CG2-CG2 3.54Å; V9-I118 HydrophobicContact CG1-CG2 4.29Å; V9-V120 HydrophobicContact CG1-CG2 3.96Å |
| 10 | L | 98.5 | Very high | 96.4 | Very high | 37 Ų | 37 | 57.1 Ų | 57.1 | 19% | 0.194 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.9 | -40 | 175.8 | -72 | 179.3 | 0 | 0 | 0 | 112.5 | Y6 K7 V8 Q14 V120 L129 T131 | Y6-L10 HydrophobicContact CD1-CD1 4.05Å; Y6-L10 HydrophobicContact CE1-CD1 3.61Å; Y6-L10 HydrophobicContact CE1-CG 4.48Å; Y6-L10 HydrophobicContact CE2-CD1 4.33Å; Y6-L10 HydrophobicContact CE2-CD2 4.47Å; Y6-L10 HydrophobicContact CE2-CG 4.42Å; Y6-L10 VanDerWaalsContact O-CG 3.26Å; Y6-L10 WeakPolarHBondContact O-CG 3.35Å; Y6-L10 PolarHBondContact O-N 2.95Å; Y6-L10 VanDerWaalsContact O-N 3.16Å; K7-L10 PolarHBondContact O-N 3.25Å; V8-L10 VanDerWaalsContact C-N 3.33Å; V8-L10 PolarHBondContact O-N 3.16Å; L10-Q14 WeakPolarHBondContact O-CG 3.26Å; L10-Q14 PolarHBondContact O-N 3.16Å; L10-V120 HydrophobicContact CD2-CG1 4.09Å; L10-V120 HydrophobicContact CD2-CG2 4.1Å; L10-L129 HydrophobicContact CD2-CD1 4.32Å; L10-L129 HydrophobicContact CD2-CD2 4.24Å; L10-T131 HydrophobicContact CD2-CG2 3.73Å |
| 11 | Q | 98.4 | Very high | 96.4 | Very high | 115 Ų | 115 | 56.9 Ų | 56.9 | 54% | 0.537 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.3 | -50 | 175.3 | -176.8 | -174.3 | -20.1 | 0 | 0 | 110.9 | K7 V8 V9 V13 Q14 E15 | K7-Q11 PolarHBondContact O-N 3.32Å; V8-Q11 PolarHBondContact O-N 2.92Å; V9-Q11 VanDerWaalsContact C-N 3.32Å; V9-Q11 PolarHBondContact O-N 3.45Å; Q11-V13 VanDerWaalsContact C-N 3.34Å; Q11-V13 PolarHBondContact O-N 2.94Å; Q11-Q14 WeakPolarHBondContact O-CB 3.4Å; Q11-Q14 PolarHBondContact O-N 3.42Å; Q11-Q14 VanDerWaalsContact O-N 3.15Å; Q11-E15 WeakPolarHBondContact CG-OE1 3.46Å; Q11-E15 PolarHBondContact NE2-OE1 3.28Å; Q11-E15 WeakPolarHBondContact O-CG 3.37Å; Q11-E15 PolarHBondContact O-N 3.23Å |
| 12 | L | 98.6 | Very high | 97.1 | Very high | 14 Ų | 14 | 54 Ų | 54 | 7% | 0.073 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.7 | -37.4 | -177 | -66 | 173.4 | 0 | 0 | 0 | 112.5 | V8 V9 Q14 E15 G16 L53 L57 | V8-L12 HydrophobicContact CG1-CD1 3.76Å; V8-L12 HydrophobicContact CG1-CG 4.35Å; V8-L12 WeakPolarHBondContact O-CG 3.34Å; V8-L12 PolarHBondContact O-N 2.96Å; V9-L12 PolarHBondContact O-N 3.16Å; L12-Q14 VanDerWaalsContact C-N 3.33Å; L12-Q14 PolarHBondContact O-N 3.46Å; L12-E15 PolarHBondContact O-N 3.06Å; L12-G16 PolarHBondContact O-N 3.2Å; L12-L53 HydrophobicContact CB-CD2 3.81Å; L12-L57 HydrophobicContact CD1-CD2 3.88Å; L12-L57 HydrophobicContact CD1-CG 3.67Å |
| 13 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.1 | -37.1 | 174.8 | 168.2 | 0 | 0 | 0 | 0 | 111.5 | V9 Q11 G17 L53 V106 I108 V120 Y122 | V9-V13 HydrophobicContact CG2-CG2 4.06Å; V9-V13 WeakPolarHBondContact O-CB 3.45Å; V9-V13 VanDerWaalsContact O-CG2 3.23Å; V9-V13 WeakPolarHBondContact O-CG2 3.35Å; V9-V13 PolarHBondContact O-N 2.83Å; Q11-V13 VanDerWaalsContact C-N 3.34Å; Q11-V13 PolarHBondContact O-N 2.94Å; V13-G17 WeakPolarHBondContact O-CA 3.34Å; V13-G17 PolarHBondContact O-N 3.4Å; V13-L53 HydrophobicContact CG2-CD2 4.27Å; V13-V106 HydrophobicContact CG1-CB 4.31Å; V13-V106 HydrophobicContact CG1-CG1 4.45Å; V13-V106 HydrophobicContact CG2-CG1 4.26Å; V13-I108 HydrophobicContact CG2-CG2 3.43Å; V13-I108 VanDerWaalsContact CG2-CG2 3.43Å; V13-V120 HydrophobicContact CB-CG1 4.37Å; V13-V120 HydrophobicContact CG1-CG1 4.05Å; V13-V120 HydrophobicContact CG2-CG1 4.1Å; V13-Y122 HydrophobicContact CG1-CD1 3.73Å; V13-Y122 HydrophobicContact CG1-CG 3.87Å |
| 14 | Q | 97.9 | Very high | 97.4 | Very high | 101 Ų | 101 | 47.4 Ų | 47.4 | 47% | 0.472 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.5 | -41.8 | 173 | -73.3 | 177.7 | 11.5 | 0 | 0 | 111.7 | L10 Q11 L12 G17 N18 | L10-Q14 WeakPolarHBondContact O-CG 3.26Å; L10-Q14 PolarHBondContact O-N 3.16Å; Q11-Q14 WeakPolarHBondContact O-CB 3.4Å; Q11-Q14 PolarHBondContact O-N 3.42Å; Q11-Q14 VanDerWaalsContact O-N 3.15Å; L12-Q14 VanDerWaalsContact C-N 3.33Å; L12-Q14 PolarHBondContact O-N 3.46Å; Q14-G17 PolarHBondContact O-N 2.75Å; Q14-N18 PolarHBondContact O-N 2.99Å; Q14-N18 PolarHBondContact O-ND2 3.2Å |
| 15 | E | 98.1 | Very high | 97.3 | Very high | 78 Ų | 78 | 50.2 Ų | 50.2 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.4 | -50.8 | 176.2 | -70.6 | 174.5 | -161.5 | 0 | 0 | 111.7 | Q11 L12 G17 N18 L19 V52 | Q11-E15 WeakPolarHBondContact CG-OE1 3.46Å; Q11-E15 PolarHBondContact NE2-OE1 3.28Å; Q11-E15 WeakPolarHBondContact O-CG 3.37Å; Q11-E15 PolarHBondContact O-N 3.23Å; L12-E15 PolarHBondContact O-N 3.06Å; E15-G17 PolarHBondContact O-N 3.43Å; E15-N18 WeakPolarHBondContact O-CB 3.36Å; E15-N18 PolarHBondContact O-N 3.15Å; E15-L19 PolarHBondContact O-N 3.44Å; E15-V52 HydrophobicContact CB-CG1 4.25Å |
| 16 | G | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L12 N18 L19 I20 | L12-G16 PolarHBondContact O-N 3.2Å; G16-N18 VanDerWaalsContact C-N 3.28Å; G16-N18 PolarHBondContact O-N 3.41Å; G16-L19 WeakPolarHBondContact O-CB 3.43Å; G16-L19 PolarHBondContact O-N 2.9Å; G16-L19 VanDerWaalsContact O-N 3.09Å; G16-I20 PolarHBondContact O-N 3.07Å |
| 17 | G | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -32.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V13 Q14 E15 I20 R21 P124 | V13-G17 WeakPolarHBondContact O-CA 3.34Å; V13-G17 PolarHBondContact O-N 3.4Å; Q14-G17 PolarHBondContact O-N 2.75Å; E15-G17 PolarHBondContact O-N 3.43Å; G17-I20 PolarHBondContact O-N 3.18Å; G17-R21 WeakPolarHBondContact O-CB 3.47Å; G17-R21 PolarHBondContact O-N 3.49Å; G17-P124 WeakPolarHBondContact O-CB 3.48Å; G17-P124 WeakPolarHBondContact O-CG 3.39Å |
| 18 | N | 97.5 | Very high | 95.2 | Very high | 59 Ų | 59 | 60.6 Ų | 60.6 | 32% | 0.316 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 173 | -69.2 | -32.2 | 0 | 0 | 0 | 111.4 | Q14 E15 G16 I20 R21 D22 | Q14-N18 PolarHBondContact O-N 2.99Å; Q14-N18 PolarHBondContact O-ND2 3.2Å; E15-N18 WeakPolarHBondContact O-CB 3.36Å; E15-N18 PolarHBondContact O-N 3.15Å; G16-N18 VanDerWaalsContact C-N 3.28Å; G16-N18 PolarHBondContact O-N 3.41Å; N18-I20 VanDerWaalsContact C-N 3.32Å; N18-I20 PolarHBondContact O-N 2.83Å; N18-R21 PolarHBondContact O-N 3.19Å; N18-R21 PolarHBondContact OD1-NH2 2.98Å; N18-D22 WeakPolarHBondContact O-CB 3.37Å; N18-D22 PolarHBondContact O-N 2.77Å |
| 19 | L | 96.9 | Very high | 93.9 | Very high | 69 Ų | 69 | 64.5 Ų | 64.5 | 36% | 0.361 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 175.8 | -59.8 | 176.1 | 0 | 0 | 0 | 111.6 | E15 G16 S23 V45 K48 V49 V52 | E15-L19 PolarHBondContact O-N 3.44Å; G16-L19 WeakPolarHBondContact O-CB 3.43Å; G16-L19 PolarHBondContact O-N 2.9Å; G16-L19 VanDerWaalsContact O-N 3.09Å; L19-S23 WeakPolarHBondContact O-CB 3.41Å; L19-S23 PolarHBondContact O-N 2.89Å; L19-S23 VanDerWaalsContact O-N 3.08Å; L19-V45 HydrophobicContact CB-CG1 4.5Å; L19-K48 HydrophobicContact CD1-CB 4.35Å; L19-V49 HydrophobicContact CB-CG2 4.16Å; L19-V49 HydrophobicContact CD1-CG2 4.2Å; L19-V52 HydrophobicContact CD1-CG2 4.12Å |
| 20 | I | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.2 | -50.8 | 176.5 | -61.3 | 171.1 | 0 | 0 | 0 | 110.1 | G16 G17 N18 D22 S23 F24 V45 V49 I91 F97 V104 V106 P124 | G16-I20 PolarHBondContact O-N 3.07Å; G17-I20 PolarHBondContact O-N 3.18Å; N18-I20 VanDerWaalsContact C-N 3.32Å; N18-I20 PolarHBondContact O-N 2.83Å; I20-D22 VanDerWaalsContact C-N 3.33Å; I20-D22 PolarHBondContact O-N 2.99Å; I20-S23 PolarHBondContact O-N 2.94Å; I20-F24 WeakPolarHBondContact O-CB 3.37Å; I20-F24 PolarHBondContact O-N 2.9Å; I20-V45 HydrophobicContact CG1-CG1 4.28Å; I20-V49 HydrophobicContact CD1-CG2 4.26Å; I20-V49 HydrophobicContact CG1-CG2 3.85Å; I20-I91 HydrophobicContact CD1-CD1 4.24Å; I20-I91 HydrophobicContact CD1-CG1 3.78Å; I20-I91 HydrophobicContact CG1-CD1 3.92Å; I20-I91 HydrophobicContact CG1-CG1 4.03Å; I20-F97 HydrophobicContact CG2-CD2 4.11Å; I20-F97 HydrophobicContact CG2-CE2 3.99Å; I20-V104 HydrophobicContact CG2-CG1 4.01Å; I20-V106 HydrophobicContact CD1-CG2 3.42Å; I20-V106 VanDerWaalsContact CD1-CG2 3.42Å; I20-P124 HydrophobicContact CB-CG 3.79Å; I20-P124 HydrophobicContact CD1-CG 4.37Å; I20-P124 HydrophobicContact CG2-CG 3.69Å |
| 21 | R | 96.8 | Very high | 92.4 | Very high | 53 Ų | 53 | 68.3 Ų | 68.3 | 20% | 0.2 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.9 | -44.5 | -178.4 | -173.6 | 179 | 65.2 | -155.7 | -13 | 112.1 | G17 N18 F24 R25 P124 | G17-R21 WeakPolarHBondContact O-CB 3.47Å; G17-R21 PolarHBondContact O-N 3.49Å; N18-R21 PolarHBondContact O-N 3.19Å; N18-R21 PolarHBondContact OD1-NH2 2.98Å; R21-F24 PolarHBondContact O-N 2.9Å; R21-R25 WeakPolarHBondContact O-CG 3.37Å; R21-R25 PolarHBondContact O-N 2.77Å; R21-P124 HydrophobicContact CB-CB 4.22Å |
| 22 | D | 95.2 | Very high | 91.9 | Very high | 92 Ų | 92 | 65.3 Ų | 65.3 | 49% | 0.492 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | -177.1 | -67 | -10.2 | 0 | 0 | 0 | 110.6 | N18 I20 R25 C26 | N18-D22 WeakPolarHBondContact O-CB 3.37Å; N18-D22 PolarHBondContact O-N 2.77Å; I20-D22 VanDerWaalsContact C-N 3.33Å; I20-D22 PolarHBondContact O-N 2.99Å; D22-R25 PolarHBondContact O-N 3.08Å; D22-C26 PolarHBondContact O-N 2.87Å; D22-C26 VanDerWaalsContact O-N 3.15Å |
| 23 | S | 94.8 | Very high | 91.6 | Very high | 24 Ų | 24 | 67.3 Ų | 67.3 | 17% | 0.168 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.5 | -36.7 | 173.4 | -170.5 | 0 | 0 | 0 | 0 | 112.6 | L19 I20 R25 C26 V45 K100 | L19-S23 WeakPolarHBondContact O-CB 3.41Å; L19-S23 PolarHBondContact O-N 2.89Å; L19-S23 VanDerWaalsContact O-N 3.08Å; I20-S23 PolarHBondContact O-N 2.94Å; S23-R25 PolarHBondContact O-N 3.03Å; S23-C26 WeakPolarHBondContact O-CB 3.39Å; S23-C26 PolarHBondContact O-N 3.32Å; S23-V45 WeakPolarHBondContact OG-CG2 3.37Å; S23-K100 PolarHBondContact O-NZ 2.79Å |
| 24 | F | 94 | Very high | 90.9 | Very high | 31 Ų | 31 | 71.1 Ų | 71.1 | 14% | 0.136 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 176.5 | -167.6 | -87.2 | 0 | 0 | 0 | 111.5 | I20 R21 C26 F97 K100 P102 V104 V125 | I20-F24 WeakPolarHBondContact O-CB 3.37Å; I20-F24 PolarHBondContact O-N 2.9Å; R21-F24 PolarHBondContact O-N 2.9Å; F24-C26 VanDerWaalsContact C-N 3.32Å; F24-F97 HydrophobicContact CB-CE2 4.12Å; F24-F97 AromaticContact CD2-CD2 3.89Å; F24-F97 HydrophobicContact CD2-CD2 3.89Å; F24-F97 HydrophobicContact CD2-CE2 4.25Å; F24-K100 HydrophobicContact CD2-CD 4.3Å; F24-K100 HydrophobicContact CE2-CB 4.4Å; F24-K100 HydrophobicContact CE2-CD 4.39Å; F24-K100 HydrophobicContact CG-CD 4.48Å; F24-K100 VanDerWaalsContact CZ-C 3.43Å; F24-K100 HydrophobicContact CZ-CB 4.15Å; F24-K100 WeakPolarHBondContact CZ-O 3.31Å; F24-K100 WeakPolarHBondContact O-CD 3.4Å; F24-K100 PolarHBondContact O-NZ 2.98Å; F24-P102 HydrophobicContact CZ-CB 4.4Å; F24-V104 HydrophobicContact CE2-CG2 4.37Å; F24-V125 HydrophobicContact CB-CG2 4.19Å; F24-V125 HydrophobicContact CD1-CG1 3.91Å; F24-V125 HydrophobicContact CD1-CG2 3.84Å; F24-V125 HydrophobicContact CD2-CG2 3.82Å; F24-V125 HydrophobicContact CE1-CG1 3.58Å; F24-V125 HydrophobicContact CE1-CG2 4.12Å; F24-V125 HydrophobicContact CE2-CG2 4.08Å; F24-V125 HydrophobicContact CG-CG2 3.68Å; F24-V125 HydrophobicContact CZ-CG1 3.96Å; F24-V125 HydrophobicContact CZ-CG2 4.21Å |
| 25 | R | 92.9 | Very high | 90.2 | Very high | 170 Ų | 170 | 68.8 Ų | 68.8 | 64% | 0.642 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -73.4 | -21.8 | 176.9 | -71.7 | 175.1 | 176.9 | 178.8 | 0.3 | 113.7 | R21 D22 S23 | R21-R25 WeakPolarHBondContact O-CG 3.37Å; R21-R25 PolarHBondContact O-N 2.77Å; D22-R25 PolarHBondContact O-N 3.08Å; S23-R25 PolarHBondContact O-N 3.03Å |
| 26 | C | 89.9 | Confident | 89.3 | Confident | 59 Ų | 59 | 69.6 Ų | 69.6 | 40% | 0.399 | 36% | 0.363 | S | S | . | . | trans | -67.7 | 136.2 | 178.9 | -166.2 | 0 | 0 | 0 | 0 | 111.5 | D22 S23 F24 R28 K100 | D22-C26 PolarHBondContact O-N 2.87Å; D22-C26 VanDerWaalsContact O-N 3.15Å; S23-C26 WeakPolarHBondContact O-CB 3.39Å; S23-C26 PolarHBondContact O-N 3.32Å; F24-C26 VanDerWaalsContact C-N 3.32Å; C26-R28 VanDerWaalsContact C-N 3.32Å; C26-K100 PolarHBondContact O-NZ 3.46Å | ||
| 27 | T | 79.4 | Confident | 88.4 | Confident | 148 Ų | 148 | 70.9 Ų | 70.9 | 91% | 0.908 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -73.4 | -25.4 | 174.5 | 53 | 0 | 0 | 0 | 0 | 112.4 | M29 | T27-M29 PolarHBondContact O-N 3.07Š|
| 28 | R | 80.9 | Confident | 87.3 | Confident | 204 Ų | 204 | 77.6 Ų | 77.6 | 77% | 0.77 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -74.9 | 122.9 | 173 | -173.9 | 176.6 | 178 | 174 | -0 | 108.9 | C26 | C26-R28 VanDerWaalsContact C-N 3.32Š|
| 29 | M | 72.7 | Confident | 86.4 | Confident | 100 Ų | 100 | 76.9 Ų | 76.9 | 49% | 0.493 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 138.6 | 173.4 | -72.6 | -77.3 | -64.9 | 0 | 0 | 110.5 | T27 V32 V98 | T27-M29 PolarHBondContact O-N 3.07Å; M29-V32 HydrophobicContact CE-CG2 4.31Å; M29-V98 HydrophobicContact CE-CG1 3.88Å |
| 30 | P | 78.3 | Confident | 85.7 | Confident | 15 Ų | 15 | 75.7 Ų | 75.7 | 10% | 0.097 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 166.1 | 170.3 | 30.9 | -35.6 | 0 | 0 | 0 | 110.2 | V32 T43 V45 F97 | P30-V32 PolarHBondContact O-N 3.07Å; P30-V32 VanDerWaalsContact O-N 3.15Å; P30-T43 HydrophobicContact CB-CG2 4.3Å; P30-T43 HydrophobicContact CG-CG2 3.97Å; P30-V45 HydrophobicContact CB-CG2 4.28Å; P30-F97 HydrophobicContact CB-CE1 4.32Å; P30-F97 HydrophobicContact CG-CD1 4.5Å; P30-F97 HydrophobicContact CG-CE1 3.77Å; P30-F97 HydrophobicContact CG-CZ 4.39Å |
| 31 | N | 86.3 | Confident | 85.3 | Confident | 102 Ų | 102 | 76.9 Ų | 76.9 | 55% | 0.545 | 41% | 0.406 | S | S | . | . | trans | -74.4 | 108.5 | 175.6 | -175.8 | 38.7 | 0 | 0 | 0 | 109.2 | T43 D44 | N31-T43 VanDerWaalsContact O-CA 3.28Å; N31-T43 WeakPolarHBondContact O-CA 3.43Å; N31-D44 PolarHBondContact N-OD1 3.35Å; N31-D44 VanDerWaalsContact N-OD1 3.09Å; N31-D44 PolarHBondContact O-N 2.59Å | ||
| 32 | V | 89.1 | Confident | 85.1 | Confident | 53 Ų | 53 | 74.4 Ų | 74.4 | 32% | 0.321 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 128.1 | -178.8 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | M29 P30 L41 T43 V98 | M29-V32 HydrophobicContact CE-CG2 4.31Å; P30-V32 PolarHBondContact O-N 3.07Å; P30-V32 VanDerWaalsContact O-N 3.15Å; V32-L41 HydrophobicContact CG1-CB 4.36Å; V32-L41 HydrophobicContact CG1-CD1 4.32Å; V32-L41 HydrophobicContact CG1-CD2 4.13Å; V32-T43 HydrophobicContact CG2-CG2 4.37Å; V32-V98 HydrophobicContact CG1-CG2 4.14Å; V32-V98 HydrophobicContact CG2-CG1 4.05Å; V32-V98 HydrophobicContact CG2-CG2 3.84Å |
| 33 | M | 90.3 | Very high | 84.9 | Confident | 55 Ų | 55 | 70 Ų | 70 | 27% | 0.271 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 165.4 | 174.1 | -61.9 | 167.4 | -71.7 | 0 | 0 | 109.2 | L41 V42 | M33-L41 WeakPolarHBondContact O-CA 3.48Å; M33-V42 HydrophobicContact CB-CG1 3.85Å; M33-V42 HydrophobicContact CE-CG1 4.32Å; M33-V42 PolarHBondContact N-O 3.46Å; M33-V42 PolarHBondContact O-N 2.96Å |
| 34 | T | 84.5 | Confident | 84.8 | Confident | 80 Ų | 80 | 71.2 Ų | 71.2 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 146.8 | 173.6 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | D40 L41 | T34-D40 CarbonylContact C-O 3.59Å; T34-D40 WeakPolarHBondContact CA-O 3.4Å; T34-L41 HydrophobicContact CG2-CD2 4.05Å |
| 35 | K | 83.4 | Confident | 84.9 | Confident | 52 Ų | 52 | 70.1 Ų | 70.1 | 23% | 0.226 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -98.3 | -110.1 | 175.1 | -70.8 | -174.7 | -68.2 | -155.7 | 0 | 109.6 | S37 D40 L41 V42 E69 E70 A73 | K35-S37 VanDerWaalsContact C-N 3.34Å; K35-S37 PolarHBondContact O-N 2.79Å; K35-D40 HydrophobicContact CB-CB 4.33Å; K35-D40 WeakPolarHBondContact CB-OD2 3.46Å; K35-D40 WeakPolarHBondContact CE-OD1 3.46Å; K35-D40 PolarHBondContact N-O 3.31Å; K35-D40 IonicContact NZ-OD1 2.71Å; K35-L41 WeakPolarHBondContact CE-O 3.28Å; K35-V42 HydrophobicContact CD-CB 4.01Å; K35-V42 HydrophobicContact CD-CG1 4.3Å; K35-V42 HydrophobicContact CG-CB 3.93Å; K35-V42 HydrophobicContact CG-CG1 3.68Å; K35-E69 VanDerWaalsContact NZ-CD 3.33Å; K35-E69 IonicContact NZ-OE1 3.81Å; K35-E69 PolarHBondContact NZ-OE1 2.82Å; K35-E70 IonicContact NZ-OE1 3.88Å; K35-E70 PolarHBondContact NZ-OE1 3.18Å; K35-A73 HydrophobicContact CD-CB 4.43Å |
| 36 | A | 79.1 | Confident | 84.9 | Confident | 95 Ų | 95 | 62 Ų | 62 | 79% | 0.785 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -77.9 | -18.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D40 | A36-D40 WeakPolarHBondContact CB-OD2 3.47Å; A36-D40 PolarHBondContact N-OD2 3.47Å |
| 37 | S | 78.7 | Confident | 85.1 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -155.6 | 169.4 | 179.8 | 74.8 | 0 | 0 | 0 | 0 | 112.4 | K35 V39 D40 | K35-S37 VanDerWaalsContact C-N 3.34Å; K35-S37 PolarHBondContact O-N 2.79Å; S37-V39 PolarHBondContact O-N 2.86Å; S37-V39 VanDerWaalsContact O-N 3.08Å; S37-V39 VanDerWaalsContact OG-CG2 3.3Å; S37-V39 WeakPolarHBondContact OG-CG2 3.37Å; S37-V39 PolarHBondContact OG-N 3.37Å; S37-D40 PolarHBondContact O-N 2.87Å; S37-D40 PolarHBondContact OG-N 2.88Å |
| 38 | D | 75.7 | Confident | 85.9 | Confident | 141 Ų | 141 | 62.5 Ų | 62.5 | 75% | 0.754 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -15.4 | 178.4 | -64.7 | -26.9 | 0 | 0 | 0 | 114.5 | ||
| 39 | V | 78.9 | Confident | 86.7 | Confident | 43 Ų | 43 | 52.8 Ų | 52.8 | 26% | 0.261 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -6.7 | 176.9 | -60 | 0 | 0 | 0 | 0 | 113 | S37 | S37-V39 PolarHBondContact O-N 2.86Å; S37-V39 VanDerWaalsContact O-N 3.08Å; S37-V39 VanDerWaalsContact OG-CG2 3.3Å; S37-V39 WeakPolarHBondContact OG-CG2 3.37Å; S37-V39 PolarHBondContact OG-N 3.37Å |
| 40 | D | 82.5 | Confident | 87.9 | Confident | 44 Ų | 44 | 48.5 Ų | 48.5 | 24% | 0.235 | 26% | 0.264 | C | S | . | . | trans | -98.3 | 93.9 | -178.7 | -176.7 | 18.3 | 0 | 0 | 0 | 108.2 | T34 K35 A36 S37 | T34-D40 CarbonylContact C-O 3.59Å; T34-D40 WeakPolarHBondContact CA-O 3.4Å; K35-D40 HydrophobicContact CB-CB 4.33Å; K35-D40 WeakPolarHBondContact CB-OD2 3.46Å; K35-D40 WeakPolarHBondContact CE-OD1 3.46Å; K35-D40 PolarHBondContact N-O 3.31Å; K35-D40 IonicContact NZ-OD1 2.71Å; A36-D40 WeakPolarHBondContact CB-OD2 3.47Å; A36-D40 PolarHBondContact N-OD2 3.47Å; S37-D40 PolarHBondContact O-N 2.87Å; S37-D40 PolarHBondContact OG-N 2.88Å | ||
| 41 | L | 88.6 | Confident | 88.7 | Confident | 25 Ų | 25 | 52.8 Ų | 52.8 | 13% | 0.131 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 151.9 | -167.9 | -54.9 | -177.8 | 0 | 0 | 0 | 111.4 | V32 M33 T34 K35 T94 V98 | V32-L41 HydrophobicContact CG1-CB 4.36Å; V32-L41 HydrophobicContact CG1-CD1 4.32Å; V32-L41 HydrophobicContact CG1-CD2 4.13Å; M33-L41 WeakPolarHBondContact O-CA 3.48Å; T34-L41 HydrophobicContact CG2-CD2 4.05Å; K35-L41 WeakPolarHBondContact CE-O 3.28Å; L41-T94 HydrophobicContact CB-CG2 4.16Å; L41-T94 WeakPolarHBondContact O-CG2 3.25Å; L41-V98 HydrophobicContact CD1-CB 4.29Å; L41-V98 HydrophobicContact CD1-CG1 4.26Å; L41-V98 HydrophobicContact CD1-CG2 4.11Å |
| 42 | V | 91.5 | Very high | 89.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 144.3 | 169.6 | 59.5 | 0 | 0 | 0 | 0 | 109.2 | M33 K35 D46 E70 | M33-V42 HydrophobicContact CB-CG1 3.85Å; M33-V42 HydrophobicContact CE-CG1 4.32Å; M33-V42 PolarHBondContact N-O 3.46Å; M33-V42 PolarHBondContact O-N 2.96Å; K35-V42 HydrophobicContact CD-CB 4.01Å; K35-V42 HydrophobicContact CD-CG1 4.3Å; K35-V42 HydrophobicContact CG-CB 3.93Å; K35-V42 HydrophobicContact CG-CG1 3.68Å; V42-D46 HydrophobicContact CG2-CB 4.01Å; V42-E70 WeakPolarHBondContact CG2-OE1 3.29Å; V42-E70 VanDerWaalsContact CG2-OE2 3.26Å; V42-E70 WeakPolarHBondContact CG2-OE2 3.31Å |
| 43 | T | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 169.2 | 172.9 | 83.6 | 0 | 0 | 0 | 0 | 112.5 | P30 N31 V32 V45 D46 T94 F97 V98 | P30-T43 HydrophobicContact CB-CG2 4.3Å; P30-T43 HydrophobicContact CG-CG2 3.97Å; N31-T43 VanDerWaalsContact O-CA 3.28Å; N31-T43 WeakPolarHBondContact O-CA 3.43Å; V32-T43 HydrophobicContact CG2-CG2 4.37Å; T43-V45 PolarHBondContact O-N 2.83Å; T43-V45 WeakPolarHBondContact OG1-CB 3.44Å; T43-V45 PolarHBondContact OG1-N 3.42Å; T43-V45 VanDerWaalsContact OG1-N 3.1Å; T43-D46 VanDerWaalsContact CA-OD2 3.24Å; T43-D46 WeakPolarHBondContact CA-OD2 3.23Å; T43-D46 WeakPolarHBondContact CB-OD2 3.34Å; T43-D46 PolarHBondContact N-OD2 3.03Å; T43-D46 PolarHBondContact O-N 3.4Å; T43-D46 PolarHBondContact OG1-OD2 2.92Å; T43-T94 HydrophobicContact CG2-CG2 4.25Å; T43-F97 HydrophobicContact CG2-CD1 3.98Å; T43-F97 HydrophobicContact CG2-CE1 4.01Å; T43-V98 HydrophobicContact CG2-CG2 3.89Å |
| 44 | D | 92.4 | Very high | 90 | Very high | 50 Ų | 50 | 45.4 Ų | 45.4 | 27% | 0.267 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.2 | -16 | 171.5 | 66.5 | -62.5 | 0 | 0 | 0 | 113 | N31 K48 | N31-D44 PolarHBondContact N-OD1 3.35Å; N31-D44 VanDerWaalsContact N-OD1 3.09Å; N31-D44 PolarHBondContact O-N 2.59Å; D44-K48 VanDerWaalsContact O-CD 3.29Å; D44-K48 WeakPolarHBondContact O-CD 3.15Å; D44-K48 WeakPolarHBondContact O-CG 3.35Å; D44-K48 PolarHBondContact O-N 3.5Å; D44-K48 IonicContact OD2-NZ 3.51Å; D44-K48 PolarHBondContact OD2-NZ 2.89Å |
| 45 | V | 94.8 | Very high | 90.7 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -76.6 | -42.8 | 176.2 | -169.8 | 0 | 0 | 0 | 0 | 110.9 | L19 I20 S23 P30 T43 R47 K48 V49 I91 F97 | L19-V45 HydrophobicContact CB-CG1 4.5Å; I20-V45 HydrophobicContact CG1-CG1 4.28Å; S23-V45 WeakPolarHBondContact OG-CG2 3.37Å; P30-V45 HydrophobicContact CB-CG2 4.28Å; T43-V45 PolarHBondContact O-N 2.83Å; T43-V45 WeakPolarHBondContact OG1-CB 3.44Å; T43-V45 PolarHBondContact OG1-N 3.42Å; T43-V45 VanDerWaalsContact OG1-N 3.1Å; V45-R47 VanDerWaalsContact C-N 3.31Å; V45-R47 PolarHBondContact O-N 3.27Å; V45-K48 PolarHBondContact O-N 2.83Å; V45-K48 VanDerWaalsContact O-N 3.13Å; V45-V49 HydrophobicContact CG1-CG2 4.16Å; V45-V49 WeakPolarHBondContact O-CG2 3.27Å; V45-V49 PolarHBondContact O-N 3.35Å; V45-I91 HydrophobicContact CB-CD1 3.99Å; V45-I91 HydrophobicContact CG1-CD1 3.86Å; V45-F97 HydrophobicContact CB-CE1 4.19Å; V45-F97 HydrophobicContact CB-CZ 4.18Å; V45-F97 HydrophobicContact CG1-CZ 4.32Å; V45-F97 HydrophobicContact CG2-CE1 4.08Å; V45-F97 HydrophobicContact CG2-CZ 3.95Å |
| 46 | D | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -52.8 | -51.5 | 178 | -51.5 | -119.1 | 0 | 0 | 0 | 110 | V42 T43 K48 V49 E50 E70 P90 I91 T94 | V42-D46 HydrophobicContact CG2-CB 4.01Å; T43-D46 VanDerWaalsContact CA-OD2 3.24Å; T43-D46 WeakPolarHBondContact CA-OD2 3.23Å; T43-D46 WeakPolarHBondContact CB-OD2 3.34Å; T43-D46 PolarHBondContact N-OD2 3.03Å; T43-D46 PolarHBondContact O-N 3.4Å; T43-D46 PolarHBondContact OG1-OD2 2.92Å; D46-K48 PolarHBondContact O-N 2.87Å; D46-V49 PolarHBondContact O-N 3.42Å; D46-E50 PolarHBondContact O-N 2.93Å; D46-E70 HydrophobicContact CB-CG 4.31Å; D46-P90 HydrophobicContact CB-CG 4.25Å; D46-P90 VanDerWaalsContact O-CB 3.23Å; D46-P90 WeakPolarHBondContact O-CB 3.44Å; D46-I91 HydrophobicContact CB-CD1 4.25Å; D46-I91 HydrophobicContact CB-CG1 4.36Å; D46-I91 WeakPolarHBondContact OD1-CB 3.49Å; D46-T94 WeakPolarHBondContact OD1-CG2 3.1Å; D46-T94 PolarHBondContact OD1-OG1 3.23Å; D46-T94 VanDerWaalsContact OD1-OG1 3.08Å |
| 47 | R | 93.3 | Very high | 92.3 | Very high | 116 Ų | 116 | 40.7 Ų | 40.7 | 44% | 0.438 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62 | -40.8 | 178.7 | -64.5 | -176.8 | -179 | 169.1 | 2.5 | 113.5 | V45 Q51 | V45-R47 VanDerWaalsContact C-N 3.31Å; V45-R47 PolarHBondContact O-N 3.27Å; R47-Q51 WeakPolarHBondContact O-CB 3.49Å; R47-Q51 PolarHBondContact O-N 2.91Å |
| 48 | K | 95.6 | Very high | 93.2 | Very high | 102 Ų | 102 | 45.2 Ų | 45.2 | 44% | 0.443 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.7 | -40.9 | 178.7 | -75 | 167.1 | -174.1 | 161.2 | 0 | 111.3 | L19 D44 V45 D46 Q51 V52 | L19-K48 HydrophobicContact CD1-CB 4.35Å; D44-K48 VanDerWaalsContact O-CD 3.29Å; D44-K48 WeakPolarHBondContact O-CD 3.15Å; D44-K48 WeakPolarHBondContact O-CG 3.35Å; D44-K48 PolarHBondContact O-N 3.5Å; D44-K48 IonicContact OD2-NZ 3.51Å; D44-K48 PolarHBondContact OD2-NZ 2.89Å; V45-K48 PolarHBondContact O-N 2.83Å; V45-K48 VanDerWaalsContact O-N 3.13Å; D46-K48 PolarHBondContact O-N 2.87Å; K48-Q51 PolarHBondContact O-N 3.04Å; K48-V52 WeakPolarHBondContact O-CG2 3.47Å; K48-V52 PolarHBondContact O-N 2.92Å |
| 49 | V | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.3 | -47.1 | 177.4 | 173.4 | 0 | 0 | 0 | 0 | 109.9 | L19 I20 V45 D46 Q51 V52 L53 P90 V106 | L19-V49 HydrophobicContact CB-CG2 4.16Å; L19-V49 HydrophobicContact CD1-CG2 4.2Å; I20-V49 HydrophobicContact CD1-CG2 4.26Å; I20-V49 HydrophobicContact CG1-CG2 3.85Å; V45-V49 HydrophobicContact CG1-CG2 4.16Å; V45-V49 WeakPolarHBondContact O-CG2 3.27Å; V45-V49 PolarHBondContact O-N 3.35Å; D46-V49 PolarHBondContact O-N 3.42Å; V49-Q51 VanDerWaalsContact C-N 3.3Å; V49-Q51 PolarHBondContact O-N 3.09Å; V49-V52 PolarHBondContact O-N 3.25Å; V49-L53 HydrophobicContact CG1-CD1 4.02Å; V49-L53 HydrophobicContact CG1-CG 4.41Å; V49-L53 WeakPolarHBondContact O-CG 3.15Å; V49-L53 PolarHBondContact O-N 3.06Å; V49-P90 HydrophobicContact CB-CB 3.89Å; V49-P90 HydrophobicContact CG1-CB 3.8Å; V49-P90 WeakPolarHBondContact CG1-O 3.29Å; V49-V106 HydrophobicContact CG1-CG2 4.2Å |
| 50 | E | 97.5 | Very high | 95.1 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 177.2 | -168.4 | 169.9 | 115.7 | 0 | 0 | 111.5 | D46 V52 L53 V54 E69 E70 S71 P90 | D46-E50 PolarHBondContact O-N 2.93Å; E50-V52 PolarHBondContact O-N 3.33Å; E50-L53 PolarHBondContact O-N 3.44Å; E50-V54 HydrophobicContact CG-CG2 4.01Å; E50-V54 WeakPolarHBondContact O-CB 3.46Å; E50-V54 VanDerWaalsContact O-CG2 3.31Å; E50-V54 WeakPolarHBondContact O-CG2 3.38Å; E50-V54 PolarHBondContact O-N 3.4Å; E50-E69 PolarHBondContact OE2-N 3.37Å; E50-E70 WeakPolarHBondContact OE2-CB 3.31Å; E50-E70 PolarHBondContact OE2-N 3.41Å; E50-S71 VanDerWaalsContact OE1-CB 3.28Å; E50-S71 WeakPolarHBondContact OE1-CB 3.12Å; E50-S71 PolarHBondContact OE1-N 3.48Å; E50-S71 PolarHBondContact OE1-OG 2.89Å; E50-P90 HydrophobicContact CB-CB 3.93Å; E50-P90 HydrophobicContact CB-CG 4.06Å |
| 51 | Q | 96.7 | Very high | 95.8 | Very high | 105 Ų | 105 | 45 Ų | 45 | 49% | 0.491 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.5 | -49 | 176.6 | -174.7 | -179.9 | 4 | 0 | 0 | 112 | R47 K48 V49 L53 V54 E55 | R47-Q51 WeakPolarHBondContact O-CB 3.49Å; R47-Q51 PolarHBondContact O-N 2.91Å; K48-Q51 PolarHBondContact O-N 3.04Å; V49-Q51 VanDerWaalsContact C-N 3.3Å; V49-Q51 PolarHBondContact O-N 3.09Å; Q51-L53 VanDerWaalsContact C-N 3.33Å; Q51-L53 PolarHBondContact O-N 2.88Å; Q51-V54 PolarHBondContact O-N 2.98Å; Q51-E55 HydrophobicContact CG-CG 4.1Å; Q51-E55 VanDerWaalsContact CG-OE1 3.25Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.43Å; Q51-E55 PolarHBondContact NE2-OE1 3.3Å; Q51-E55 VanDerWaalsContact O-CB 3.27Å; Q51-E55 WeakPolarHBondContact O-CB 3.36Å; Q51-E55 WeakPolarHBondContact O-CG 3.27Å; Q51-E55 PolarHBondContact O-N 3.3Å |
| 52 | V | 98 | Very high | 96.2 | Very high | 44 Ų | 44 | 48.5 Ų | 48.5 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.7 | -46.3 | 178 | 166.3 | 0 | 0 | 0 | 0 | 111.3 | E15 L19 K48 V49 E50 G56 | E15-V52 HydrophobicContact CB-CG1 4.25Å; L19-V52 HydrophobicContact CD1-CG2 4.12Å; K48-V52 WeakPolarHBondContact O-CG2 3.47Å; K48-V52 PolarHBondContact O-N 2.92Å; V49-V52 PolarHBondContact O-N 3.25Å; E50-V52 PolarHBondContact O-N 3.33Å; V52-G56 PolarHBondContact O-N 3.05Å |
| 53 | L | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65 | -51.8 | -179.6 | -63.9 | 174.4 | 0 | 0 | 0 | 111.2 | L12 V13 V49 E50 Q51 L57 I88 V106 | L12-L53 HydrophobicContact CB-CD2 3.81Å; V13-L53 HydrophobicContact CG2-CD2 4.27Å; V49-L53 HydrophobicContact CG1-CD1 4.02Å; V49-L53 HydrophobicContact CG1-CG 4.41Å; V49-L53 WeakPolarHBondContact O-CG 3.15Å; V49-L53 PolarHBondContact O-N 3.06Å; E50-L53 PolarHBondContact O-N 3.44Å; Q51-L53 VanDerWaalsContact C-N 3.33Å; Q51-L53 PolarHBondContact O-N 2.88Å; L53-L57 VanDerWaalsContact O-CB 3.29Å; L53-L57 WeakPolarHBondContact O-CB 3.49Å; L53-L57 WeakPolarHBondContact O-CD1 3.35Å; L53-L57 WeakPolarHBondContact O-CG 3.4Å; L53-L57 PolarHBondContact O-N 3.41Å; L53-I88 HydrophobicContact CB-CD1 4.23Å; L53-I88 HydrophobicContact CD1-CG2 3.57Å; L53-V106 HydrophobicContact CD1-CG1 3.74Å |
| 54 | V | 96.9 | Very high | 96.7 | Very high | 12 Ų | 12 | 54.9 Ų | 54.9 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.2 | -48.3 | -176.3 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | E50 Q51 L57 R58 F66 I88 | E50-V54 HydrophobicContact CG-CG2 4.01Å; E50-V54 WeakPolarHBondContact O-CB 3.46Å; E50-V54 VanDerWaalsContact O-CG2 3.31Å; E50-V54 WeakPolarHBondContact O-CG2 3.38Å; E50-V54 PolarHBondContact O-N 3.4Å; Q51-V54 PolarHBondContact O-N 2.98Å; V54-L57 PolarHBondContact O-N 2.89Å; V54-R58 WeakPolarHBondContact O-CB 3.31Å; V54-R58 PolarHBondContact O-N 3.45Å; V54-F66 HydrophobicContact CB-CD1 4.43Å; V54-F66 HydrophobicContact CG1-CD1 4.16Å; V54-F66 HydrophobicContact CG1-CD2 4.49Å; V54-F66 HydrophobicContact CG1-CE1 4.26Å; V54-F66 HydrophobicContact CG1-CG 4.28Å; V54-F66 HydrophobicContact CG1-CZ 4.48Å; V54-F66 HydrophobicContact CG2-CD1 4.02Å; V54-F66 HydrophobicContact CG2-CE1 4.49Å; V54-I88 HydrophobicContact CG2-CD1 3.79Å |
| 55 | E | 97.5 | Very high | 96.8 | Very high | 106 Ų | 106 | 57.1 Ų | 57.1 | 50% | 0.495 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 179.9 | -70.4 | -178.2 | -179.7 | 0 | 0 | 111.4 | Q51 L57 R58 A59 | Q51-E55 HydrophobicContact CG-CG 4.1Å; Q51-E55 VanDerWaalsContact CG-OE1 3.25Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.43Å; Q51-E55 PolarHBondContact NE2-OE1 3.3Å; Q51-E55 VanDerWaalsContact O-CB 3.27Å; Q51-E55 WeakPolarHBondContact O-CB 3.36Å; Q51-E55 WeakPolarHBondContact O-CG 3.27Å; Q51-E55 PolarHBondContact O-N 3.3Å; E55-L57 PolarHBondContact O-N 3.27Å; E55-R58 PolarHBondContact O-N 3.43Å; E55-A59 WeakPolarHBondContact O-CB 3.49Å; E55-A59 PolarHBondContact O-N 2.88Å |
| 56 | G | 98.2 | Very high | 96.9 | Very high | 21 Ų | 21 | 58.2 Ų | 58.2 | 22% | 0.216 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61 | -43.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V52 K60 | V52-G56 PolarHBondContact O-N 3.05Å; G56-K60 PolarHBondContact O-N 2.93Å |
| 57 | L | 98 | Very high | 97 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.7 | -42.5 | 176.8 | -71.1 | 167 | 0 | 0 | 0 | 111.9 | V8 L12 L53 V54 E55 A59 K60 F61 F66 W86 I88 I108 | V8-L57 HydrophobicContact CG1-CD2 4.11Å; L12-L57 HydrophobicContact CD1-CD2 3.88Å; L12-L57 HydrophobicContact CD1-CG 3.67Å; L53-L57 VanDerWaalsContact O-CB 3.29Å; L53-L57 WeakPolarHBondContact O-CB 3.49Å; L53-L57 WeakPolarHBondContact O-CD1 3.35Å; L53-L57 WeakPolarHBondContact O-CG 3.4Å; L53-L57 PolarHBondContact O-N 3.41Å; V54-L57 PolarHBondContact O-N 2.89Å; E55-L57 PolarHBondContact O-N 3.27Å; L57-A59 VanDerWaalsContact C-N 3.3Å; L57-A59 PolarHBondContact O-N 3.08Å; L57-K60 PolarHBondContact O-N 2.98Å; L57-F61 HydrophobicContact CD2-CD2 4.28Å; L57-F61 HydrophobicContact CD2-CE2 4.39Å; L57-F61 WeakPolarHBondContact O-CA 3.25Å; L57-F61 WeakPolarHBondContact O-CB 3.48Å; L57-F61 PolarHBondContact O-N 3.43Å; L57-F66 HydrophobicContact CB-CE1 3.74Å; L57-F66 HydrophobicContact CB-CZ 3.93Å; L57-F66 HydrophobicContact CD1-CE1 4.11Å; L57-W86 HydrophobicContact CD1-CB 4.25Å; L57-W86 HydrophobicContact CD1-CD2 3.75Å; L57-W86 HydrophobicContact CD1-CE3 4.12Å; L57-W86 HydrophobicContact CD1-CG 3.81Å; L57-W86 HydrophobicContact CD2-CD2 4.12Å; L57-W86 HydrophobicContact CD2-CE3 4.48Å; L57-W86 HydrophobicContact CD2-CH2 3.96Å; L57-W86 HydrophobicContact CD2-CZ2 3.54Å; L57-W86 HydrophobicContact CD2-CZ3 4.4Å; L57-W86 HydrophobicContact CG-CD2 4.47Å; L57-I88 HydrophobicContact CD1-CD1 4.28Å; L57-I108 HydrophobicContact CD1-CD1 3.58Å |
| 58 | R | 97.4 | Very high | 97.1 | Very high | 123 Ų | 123 | 53 Ų | 53 | 46% | 0.464 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.7 | -34.7 | 179.5 | -172.9 | 176 | -67.6 | 161.9 | -1.6 | 111.9 | V54 E55 K60 F61 P62 F66 | V54-R58 WeakPolarHBondContact O-CB 3.31Å; V54-R58 PolarHBondContact O-N 3.45Å; E55-R58 PolarHBondContact O-N 3.43Å; R58-K60 VanDerWaalsContact C-N 3.3Å; R58-K60 PolarHBondContact O-N 3.26Å; R58-F61 CarbonylContact O-C 3.59Å; R58-P62 VanDerWaalsContact O-CA 3.27Å; R58-P62 WeakPolarHBondContact O-CA 3.4Å; R58-F66 HydrophobicContact CB-CE2 4.21Å; R58-F66 HydrophobicContact CB-CZ 4.05Å |
| 59 | A | 97.8 | Very high | 96.9 | Very high | 83 Ų | 83 | 49.3 Ų | 49.3 | 69% | 0.686 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.3 | -33.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E55 L57 | E55-A59 WeakPolarHBondContact O-CB 3.49Å; E55-A59 PolarHBondContact O-N 2.88Å; L57-A59 VanDerWaalsContact C-N 3.3Å; L57-A59 PolarHBondContact O-N 3.08Å |
| 60 | K | 97.7 | Very high | 96.5 | Very high | 127 Ų | 127 | 49.6 Ų | 49.6 | 55% | 0.552 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -91.2 | -33.4 | 178.4 | -66.6 | -63.4 | -174.3 | 177.6 | 0 | 113.4 | V8 G56 L57 R58 | V8-K60 HydrophobicContact CG1-CB 4.47Å; V8-K60 HydrophobicContact CG1-CG 4.1Å; V8-K60 HydrophobicContact CG2-CG 4.15Å; G56-K60 PolarHBondContact O-N 2.93Å; L57-K60 PolarHBondContact O-N 2.98Å; R58-K60 VanDerWaalsContact C-N 3.3Å; R58-K60 PolarHBondContact O-N 3.26Å |
| 61 | F | 97.6 | Very high | 96.1 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 6% | 0.057 | 27% | 0.27 | C | S | . | . | trans | -130.7 | 68.1 | -173 | -52.2 | -68.8 | 0 | 0 | 0 | 110.6 | E4 A5 V8 L57 R58 T63 H64 W86 | E4-F61 HydrophobicContact CG-CZ 4.31Å; A5-F61 VanDerWaalsContact CA-CZ 3.47Å; A5-F61 HydrophobicContact CB-CE1 4.4Å; A5-F61 HydrophobicContact CB-CE2 4.11Å; A5-F61 HydrophobicContact CB-CZ 3.79Å; V8-F61 HydrophobicContact CB-CE2 4.19Å; V8-F61 HydrophobicContact CG1-CE2 4.19Å; V8-F61 HydrophobicContact CG2-CE2 4.34Å; V8-F61 HydrophobicContact CG2-CZ 4.42Å; L57-F61 HydrophobicContact CD2-CD2 4.28Å; L57-F61 HydrophobicContact CD2-CE2 4.39Å; L57-F61 WeakPolarHBondContact O-CA 3.25Å; L57-F61 WeakPolarHBondContact O-CB 3.48Å; L57-F61 PolarHBondContact O-N 3.43Å; R58-F61 CarbonylContact O-C 3.59Å; F61-T63 PolarHBondContact O-N 3.26Å; F61-H64 HydrophobicContact CB-CB 4.06Å; F61-H64 VanDerWaalsContact CB-CG 3.5Å; F61-H64 AromaticContact CD1-CE1 3.87Å; F61-H64 AromaticContact CD1-NE2 3.95Å; F61-H64 AromaticContact CG-CE1 3.75Å; F61-H64 AromaticContact CG-ND1 3.94Å; F61-H64 WeakPolarHBondContact O-CB 3.46Å; F61-H64 PolarHBondContact O-N 3.41Å; F61-W86 HydrophobicContact CD2-CZ2 4.29Å; F61-W86 HydrophobicContact CE2-CZ2 4.31Å | ||
| 62 | P | 96.9 | Very high | 95.6 | Very high | 100 Ų | 100 | 47 Ų | 47 | 65% | 0.649 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -16.3 | -170.9 | 25.8 | -36 | 0 | 0 | 0 | 114.4 | R58 | R58-P62 VanDerWaalsContact O-CA 3.27Å; R58-P62 WeakPolarHBondContact O-CA 3.4Å |
| 63 | T | 96 | Very high | 94.7 | Very high | 120 Ų | 120 | 48 Ų | 48 | 74% | 0.736 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -6.9 | 177.8 | 57.4 | 0 | 0 | 0 | 0 | 113.6 | F61 | F61-T63 PolarHBondContact O-N 3.26Š|
| 64 | H | 96.5 | Very high | 93.9 | Very high | 15 Ų | 15 | 54.5 Ų | 54.5 | 7% | 0.069 | 30% | 0.304 | C | S | . | . | trans | -75.3 | 152.5 | 178.4 | -71.4 | -156.4 | 0 | 0 | 0 | 110.8 | F61 F66 P84 W86 | F61-H64 HydrophobicContact CB-CB 4.06Å; F61-H64 VanDerWaalsContact CB-CG 3.5Å; F61-H64 AromaticContact CD1-CE1 3.87Å; F61-H64 AromaticContact CD1-NE2 3.95Å; F61-H64 AromaticContact CG-CE1 3.75Å; F61-H64 AromaticContact CG-ND1 3.94Å; F61-H64 WeakPolarHBondContact O-CB 3.46Å; F61-H64 PolarHBondContact O-N 3.41Å; H64-F66 WeakPolarHBondContact O-CE2 3.42Å; H64-P84 WeakPolarHBondContact CA-O 3.48Å; H64-P84 HydrophobicContact CB-CB 4.49Å; H64-W86 AromaticContact CG-NE1 3.91Å; H64-W86 AromaticContact ND1-CD1 3.77Å; H64-W86 AromaticContact ND1-CE2 3.92Å; H64-W86 AromaticContact ND1-NE1 3.08Å; H64-W86 PolarHBondContact ND1-NE1 2.91Å | ||
| 65 | K | 96.2 | Very high | 93.1 | Very high | 96 Ų | 96 | 56.8 Ų | 56.8 | 42% | 0.417 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 168.6 | 174.6 | -63 | -173.7 | 179.4 | 178.7 | 0 | 111.2 | T81 A83 P84 T85 W86 | K65-T81 PolarHBondContact NZ-OG1 2.9Å; K65-A83 HydrophobicContact CD-CB 4.23Å; K65-P84 PolarHBondContact N-O 2.86Å; K65-T85 HydrophobicContact CB-CG2 4.09Å; K65-T85 CarbonylContact O-C 3.41Å; K65-T85 WeakPolarHBondContact O-CA 3.4Å; K65-W86 PolarHBondContact O-N 2.89Å |
| 66 | F | 96 | Very high | 92.2 | Very high | 31 Ų | 31 | 57.5 Ų | 57.5 | 14% | 0.136 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 141.7 | -177.8 | -61 | -89.8 | 0 | 0 | 0 | 110.3 | V54 L57 R58 H64 W86 I88 | V54-F66 HydrophobicContact CB-CD1 4.43Å; V54-F66 HydrophobicContact CG1-CD1 4.16Å; V54-F66 HydrophobicContact CG1-CD2 4.49Å; V54-F66 HydrophobicContact CG1-CE1 4.26Å; V54-F66 HydrophobicContact CG1-CG 4.28Å; V54-F66 HydrophobicContact CG1-CZ 4.48Å; V54-F66 HydrophobicContact CG2-CD1 4.02Å; V54-F66 HydrophobicContact CG2-CE1 4.49Å; L57-F66 HydrophobicContact CB-CE1 3.74Å; L57-F66 HydrophobicContact CB-CZ 3.93Å; L57-F66 HydrophobicContact CD1-CE1 4.11Å; R58-F66 HydrophobicContact CB-CE2 4.21Å; R58-F66 HydrophobicContact CB-CZ 4.05Å; H64-F66 WeakPolarHBondContact O-CE2 3.42Å; F66-W86 CarbonylContact C-O 3.6Å; F66-W86 WeakPolarHBondContact CA-O 3.28Å; F66-W86 HydrophobicContact CD1-CB 3.84Å; F66-W86 HydrophobicContact CD1-CG 4.44Å; F66-W86 HydrophobicContact CE1-CB 4.02Å; F66-W86 AromaticContact CE1-CD1 3.73Å; F66-W86 HydrophobicContact CE1-CG 4.14Å; F66-I88 HydrophobicContact CD1-CD1 4.04Å |
| 67 | I | 96.7 | Very high | 91 | Very high | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 100.9 | 163.7 | -58.4 | 174.3 | 0 | 0 | 0 | 104.9 | L80 T85 W86 I87 I88 W221 | I67-L80 HydrophobicContact CD1-CB 4.2Å; I67-L80 HydrophobicContact CD1-CD1 4.47Å; I67-T85 HydrophobicContact CD1-CG2 4Å; I67-T85 HydrophobicContact CG1-CG2 3.87Å; I67-W86 PolarHBondContact N-O 2.93Å; I67-I87 HydrophobicContact CB-CG1 4.43Å; I67-I87 HydrophobicContact CB-CG2 4.38Å; I67-I87 HydrophobicContact CD1-CG1 4.43Å; I67-I87 CarbonylContact O-C 3.53Å; I67-I87 VanDerWaalsContact O-CA 3.29Å; I67-I87 WeakPolarHBondContact O-CA 3.37Å; I67-I88 PolarHBondContact O-N 2.92Å; I67-W221 HydrophobicContact CG2-CE3 4.04Å; I67-W221 HydrophobicContact CG2-CZ3 4.22Å |
| 68 | G | 94.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 143.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | T72 I88 | G68-T72 VanDerWaalsContact O-CB 3.27Å; G68-T72 WeakPolarHBondContact O-CB 3.47Å; G68-T72 PolarHBondContact O-N 2.95Å; G68-T72 PolarHBondContact O-OG1 2.84Å; G68-I88 WeakPolarHBondContact CA-O 3.46Å |
| 69 | E | 93.1 | Very high | 89.2 | Confident | 25 Ų | 25 | 63.2 Ų | 63.2 | 12% | 0.117 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -54.7 | -52.6 | 176.7 | 179.6 | 177.3 | -166.5 | 0 | 0 | 111.7 | K35 E50 T72 A73 I88 W221 | K35-E69 VanDerWaalsContact NZ-CD 3.33Å; K35-E69 IonicContact NZ-OE1 3.81Å; K35-E69 PolarHBondContact NZ-OE1 2.82Å; E50-E69 PolarHBondContact OE2-N 3.37Å; E69-T72 PolarHBondContact O-N 2.81Å; E69-A73 PolarHBondContact O-N 3.29Å; E69-I88 PolarHBondContact N-O 3.23Å; E69-W221 HydrophobicContact CB-CD2 3.88Å; E69-W221 HydrophobicContact CB-CG 4.06Å; E69-W221 HydrophobicContact CB-CZ2 4.08Å; E69-W221 HydrophobicContact CG-CD2 4.43Å; E69-W221 HydrophobicContact CG-CZ2 3.82Å |
| 70 | E | 88.7 | Confident | 89.1 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.028 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.7 | -34.6 | -172.2 | -62 | -59.1 | 148.1 | 0 | 0 | 111.2 | K35 V42 D46 E50 T72 A73 L74 P90 | K35-E70 IonicContact NZ-OE1 3.88Å; K35-E70 PolarHBondContact NZ-OE1 3.18Å; V42-E70 WeakPolarHBondContact CG2-OE1 3.29Å; V42-E70 VanDerWaalsContact CG2-OE2 3.26Å; V42-E70 WeakPolarHBondContact CG2-OE2 3.31Å; D46-E70 HydrophobicContact CB-CG 4.31Å; E50-E70 WeakPolarHBondContact OE2-CB 3.31Å; E50-E70 PolarHBondContact OE2-N 3.41Å; E70-T72 VanDerWaalsContact C-N 3.34Å; E70-A73 PolarHBondContact O-N 2.88Å; E70-L74 WeakPolarHBondContact O-CG 3.2Å; E70-L74 PolarHBondContact O-N 3.28Å; E70-L74 VanDerWaalsContact O-N 3.15Å; E70-P90 HydrophobicContact CG-CG 4.01Å |
| 71 | S | 88 | Confident | 88.9 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 17% | 0.168 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 169.3 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | E50 L74 G75 E76 | E50-S71 VanDerWaalsContact OE1-CB 3.28Å; E50-S71 WeakPolarHBondContact OE1-CB 3.12Å; E50-S71 PolarHBondContact OE1-N 3.48Å; E50-S71 PolarHBondContact OE1-OG 2.89Å; S71-L74 CarbonylContact O-C 3.57Å; S71-L74 PolarHBondContact O-N 3.3Å; S71-L74 VanDerWaalsContact O-N 3.13Å; S71-G75 PolarHBondContact O-N 3.39Å; S71-E76 WeakPolarHBondContact O-CB 3.39Å; S71-E76 PolarHBondContact O-N 2.84Å |
| 72 | T | 87.4 | Confident | 88.9 | Confident | 34 Ų | 34 | 60 Ų | 60 | 21% | 0.209 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 177.2 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | G68 E69 E70 L74 G75 W221 | G68-T72 VanDerWaalsContact O-CB 3.27Å; G68-T72 WeakPolarHBondContact O-CB 3.47Å; G68-T72 PolarHBondContact O-N 2.95Å; G68-T72 PolarHBondContact O-OG1 2.84Å; E69-T72 PolarHBondContact O-N 2.81Å; E70-T72 VanDerWaalsContact C-N 3.34Å; T72-L74 PolarHBondContact O-N 3.12Å; T72-G75 PolarHBondContact O-N 2.84Å; T72-W221 HydrophobicContact CG2-CH2 3.98Å; T72-W221 HydrophobicContact CG2-CZ3 4.15Å |
| 73 | A | 78.6 | Confident | 88.9 | Confident | 66 Ų | 66 | 56.8 Ų | 56.8 | 55% | 0.545 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.4 | -26.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | K35 E69 E70 G75 | K35-A73 HydrophobicContact CD-CB 4.43Å; E69-A73 PolarHBondContact O-N 3.29Å; E70-A73 PolarHBondContact O-N 2.88Å; A73-G75 VanDerWaalsContact C-N 3.33Å |
| 74 | L | 81.3 | Confident | 89 | Confident | 137 Ų | 137 | 52.5 Ų | 52.5 | 72% | 0.717 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 2.3 | 173.7 | -65.3 | 174 | 0 | 0 | 0 | 114.1 | E70 S71 T72 | E70-L74 WeakPolarHBondContact O-CG 3.2Å; E70-L74 PolarHBondContact O-N 3.28Å; E70-L74 VanDerWaalsContact O-N 3.15Å; S71-L74 CarbonylContact O-C 3.57Å; S71-L74 PolarHBondContact O-N 3.3Å; S71-L74 VanDerWaalsContact O-N 3.13Å; T72-L74 PolarHBondContact O-N 3.12Å |
| 75 | G | 80.9 | Confident | 89 | Confident | 59 Ų | 59 | 51.8 Ų | 51.8 | 61% | 0.608 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.2 | 0.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S71 T72 A73 K77 | S71-G75 PolarHBondContact O-N 3.39Å; T72-G75 PolarHBondContact O-N 2.84Å; A73-G75 VanDerWaalsContact C-N 3.33Å; G75-K77 VanDerWaalsContact C-N 3.28Å; G75-K77 PolarHBondContact O-N 3.47Å |
| 76 | E | 79.3 | Confident | 89.1 | Confident | 121 Ų | 121 | 47.3 Ų | 47.3 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | trans | -77.8 | 76.1 | 174.2 | -61 | -168.1 | -179.9 | 0 | 0 | 110.8 | S71 G78 | S71-E76 WeakPolarHBondContact O-CB 3.39Å; S71-E76 PolarHBondContact O-N 2.84Å; E76-G78 VanDerWaalsContact C-N 3.35Å; E76-G78 PolarHBondContact O-N 3.46Å | ||
| 77 | K | 71.8 | Confident | 89.2 | Confident | 169 Ų | 169 | 45.9 Ų | 45.9 | 74% | 0.735 | 28% | 0.282 | S | S | * | . | trans | -70.9 | 89.3 | 173.7 | -69.3 | -164.4 | 175.7 | -161.9 | 0 | 110.6 | G75 | G75-K77 VanDerWaalsContact C-N 3.28Å; G75-K77 PolarHBondContact O-N 3.47Å | ||
| 78 | G | 71.9 | Confident | 89.3 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 27% | 0.268 | 28% | 0.281 | S | S | . | . | trans | -75.1 | 125.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E76 | E76-G78 VanDerWaalsContact C-N 3.35Å; E76-G78 PolarHBondContact O-N 3.46Å | ||
| 79 | A | 85.9 | Confident | 89.5 | Confident | 70 Ų | 70 | 45.7 Ų | 45.7 | 58% | 0.579 | 28% | 0.28 | S | S | * | . | trans | -89.3 | 137.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T81 | A79-T81 PolarHBondContact O-N 3.42Å; A79-T81 VanDerWaalsContact O-N 3.1Å | ||
| 80 | L | 94.7 | Very high | 89.7 | Confident | 25 Ų | 25 | 44.5 Ų | 44.5 | 13% | 0.131 | 28% | 0.275 | C | S | . | . | trans | -71.1 | 107 | 173.7 | -173.4 | 62.6 | 0 | 0 | 0 | 110.3 | I67 T85 I87 Y111 K114 V247 M248 | I67-L80 HydrophobicContact CD1-CB 4.2Å; I67-L80 HydrophobicContact CD1-CD1 4.47Å; L80-T85 HydrophobicContact CD1-CG2 4.23Å; L80-I87 HydrophobicContact CD1-CD1 4.27Å; L80-Y111 HydrophobicContact CD1-CD1 4.21Å; L80-Y111 HydrophobicContact CD1-CG 4.29Å; L80-Y111 HydrophobicContact CD2-CD1 3.86Å; L80-Y111 HydrophobicContact CD2-CE1 4.26Å; L80-K114 HydrophobicContact CD2-CB 4.32Å; L80-K114 HydrophobicContact CG-CB 4.43Å; L80-K114 HydrophobicContact CG-CG 4.24Å; L80-K114 VanDerWaalsContact O-CE 3.25Å; L80-K114 WeakPolarHBondContact O-CE 3.21Å; L80-V247 HydrophobicContact CD2-CG1 3.59Å; L80-M248 HydrophobicContact CB-SD 4.32Å | ||
| 81 | T | 95.3 | Very high | 90.1 | Very high | 40 Ų | 40 | 44.2 Ų | 44.2 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | trans | -105 | -176.5 | 179.7 | 67.2 | 0 | 0 | 0 | 0 | 111.7 | K65 A79 A83 K114 | K65-T81 PolarHBondContact NZ-OG1 2.9Å; A79-T81 PolarHBondContact O-N 3.42Å; A79-T81 VanDerWaalsContact O-N 3.1Å; T81-A83 PolarHBondContact O-N 2.88Å; T81-A83 PolarHBondContact OG1-N 2.91Å; T81-K114 WeakPolarHBondContact O-CG 3.29Å | ||
| 82 | D | 96.7 | Very high | 90.6 | Very high | 90 Ų | 90 | 43.7 Ų | 43.7 | 48% | 0.481 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -74.6 | -18.3 | 175.9 | -55.3 | -34.2 | 0 | 0 | 0 | 112.6 | N113 K114 | D82-N113 WeakPolarHBondContact O-CA 3.36Å; D82-N113 PolarHBondContact O-N 3.37Å; D82-N113 PolarHBondContact O-OD1 3.33Å; D82-K114 IonicContact OD1-NZ 3.82Å; D82-K114 PolarHBondContact OD1-NZ 2.85Å; D82-K114 IonicContact OD2-NZ 2.67Å |
| 83 | A | 96.8 | Very high | 91 | Very high | 33 Ų | 33 | 42.4 Ų | 42.4 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -64.9 | 148.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K65 T81 T85 | K65-A83 HydrophobicContact CD-CB 4.23Å; T81-A83 PolarHBondContact O-N 2.88Å; T81-A83 PolarHBondContact OG1-N 2.91Å; A83-T85 PolarHBondContact O-N 3.27Å; A83-T85 VanDerWaalsContact O-N 3.12Å; A83-T85 PolarHBondContact O-OG1 2.87Å |
| 84 | P | 97.5 | Very high | 91.7 | Very high | 30 Ų | 30 | 40 Ų | 40 | 20% | 0.195 | 24% | 0.24 | C | C | . | . | trans | -51.2 | 120.4 | 172.2 | -27 | 35.5 | 0 | 0 | 0 | 111.3 | H64 K65 L110 Y111 V112 | H64-P84 WeakPolarHBondContact CA-O 3.48Å; H64-P84 HydrophobicContact CB-CB 4.49Å; K65-P84 PolarHBondContact N-O 2.86Å; P84-L110 HydrophobicContact CB-CD1 4.22Å; P84-Y111 CarbonylContact C-O 3.56Å; P84-Y111 VanDerWaalsContact CA-O 3.29Å; P84-Y111 WeakPolarHBondContact CA-O 3.19Å; P84-V112 HydrophobicContact CB-CG2 4.36Å; P84-V112 HydrophobicContact CG-CG2 4.45Å | ||
| 85 | T | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 125.4 | -174.1 | -55.4 | 0 | 0 | 0 | 0 | 109.4 | K65 I67 L80 A83 Y111 | K65-T85 HydrophobicContact CB-CG2 4.09Å; K65-T85 CarbonylContact O-C 3.41Å; K65-T85 WeakPolarHBondContact O-CA 3.4Å; I67-T85 HydrophobicContact CD1-CG2 4Å; I67-T85 HydrophobicContact CG1-CG2 3.87Å; L80-T85 HydrophobicContact CD1-CG2 4.23Å; A83-T85 PolarHBondContact O-N 3.27Å; A83-T85 VanDerWaalsContact O-N 3.12Å; A83-T85 PolarHBondContact O-OG1 2.87Å; T85-Y111 PolarHBondContact N-O 2.67Å; T85-Y111 PolarHBondContact O-N 3.34Å |
| 86 | W | 98 | Very high | 93 | Very high | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 123.4 | 170.9 | -64.7 | 101.5 | 0 | 0 | 0 | 109.5 | A5 V9 L57 F61 H64 K65 F66 I67 I88 I108 A109 L110 | A5-W86 HydrophobicContact CB-CH2 3.97Å; A5-W86 HydrophobicContact CB-CZ2 3.9Å; V9-W86 HydrophobicContact CB-CH2 3.94Å; V9-W86 HydrophobicContact CB-CZ3 3.92Å; V9-W86 HydrophobicContact CG1-CH2 4.34Å; V9-W86 HydrophobicContact CG1-CZ3 4.32Å; V9-W86 HydrophobicContact CG2-CH2 4.32Å; V9-W86 HydrophobicContact CG2-CZ3 3.81Å; L57-W86 HydrophobicContact CD1-CB 4.25Å; L57-W86 HydrophobicContact CD1-CD2 3.75Å; L57-W86 HydrophobicContact CD1-CE3 4.12Å; L57-W86 HydrophobicContact CD1-CG 3.81Å; L57-W86 HydrophobicContact CD2-CD2 4.12Å; L57-W86 HydrophobicContact CD2-CE3 4.48Å; L57-W86 HydrophobicContact CD2-CH2 3.96Å; L57-W86 HydrophobicContact CD2-CZ2 3.54Å; L57-W86 HydrophobicContact CD2-CZ3 4.4Å; L57-W86 HydrophobicContact CG-CD2 4.47Å; F61-W86 HydrophobicContact CD2-CZ2 4.29Å; F61-W86 HydrophobicContact CE2-CZ2 4.31Å; H64-W86 AromaticContact CG-NE1 3.91Å; H64-W86 AromaticContact ND1-CD1 3.77Å; H64-W86 AromaticContact ND1-CE2 3.92Å; H64-W86 AromaticContact ND1-NE1 3.08Å; H64-W86 PolarHBondContact ND1-NE1 2.91Å; K65-W86 PolarHBondContact O-N 2.89Å; F66-W86 CarbonylContact C-O 3.6Å; F66-W86 WeakPolarHBondContact CA-O 3.28Å; F66-W86 HydrophobicContact CD1-CB 3.84Å; F66-W86 HydrophobicContact CD1-CG 4.44Å; F66-W86 HydrophobicContact CE1-CB 4.02Å; F66-W86 AromaticContact CE1-CD1 3.73Å; F66-W86 HydrophobicContact CE1-CG 4.14Å; I67-W86 PolarHBondContact N-O 2.93Å; W86-I88 HydrophobicContact CB-CD1 4.26Å; W86-I88 HydrophobicContact CB-CG1 4.28Å; W86-I108 HydrophobicContact CE3-CD1 3.85Å; W86-I108 HydrophobicContact CE3-CG1 3.84Å; W86-I108 HydrophobicContact CZ3-CD1 4.32Å; W86-I108 HydrophobicContact CZ3-CG1 4.31Å; W86-A109 CarbonylContact C-O 3.37Å; W86-A109 VanDerWaalsContact CA-O 3.28Å; W86-A109 WeakPolarHBondContact CA-O 3.34Å; W86-L110 HydrophobicContact CD2-CB 4.32Å; W86-L110 HydrophobicContact CD2-CD1 3.94Å; W86-L110 HydrophobicContact CE3-CB 3.85Å; W86-L110 HydrophobicContact CE3-CD1 4.34Å; W86-L110 HydrophobicContact CG-CD1 4.36Å; W86-L110 HydrophobicContact CH2-CB 3.97Å; W86-L110 HydrophobicContact CH2-CD2 4.22Å; W86-L110 HydrophobicContact CH2-CG 4.47Å; W86-L110 HydrophobicContact CZ2-CB 4.41Å; W86-L110 HydrophobicContact CZ2-CD1 4.11Å; W86-L110 HydrophobicContact CZ2-CD2 4.19Å; W86-L110 HydrophobicContact CZ2-CG 4.47Å; W86-L110 HydrophobicContact CZ3-CB 3.67Å |
| 87 | I | 98.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 123.7 | 174.3 | -49.9 | -178.5 | 0 | 0 | 0 | 107.2 | I67 L80 I108 A109 Y111 C220 W221 A224 | I67-I87 HydrophobicContact CB-CG1 4.43Å; I67-I87 HydrophobicContact CB-CG2 4.38Å; I67-I87 HydrophobicContact CD1-CG1 4.43Å; I67-I87 CarbonylContact O-C 3.53Å; I67-I87 VanDerWaalsContact O-CA 3.29Å; I67-I87 WeakPolarHBondContact O-CA 3.37Å; L80-I87 HydrophobicContact CD1-CD1 4.27Å; I87-I108 WeakPolarHBondContact O-CA 3.4Å; I87-A109 PolarHBondContact N-O 2.72Å; I87-A109 PolarHBondContact O-N 2.78Å; I87-Y111 HydrophobicContact CD1-CD1 4.47Å; I87-Y111 HydrophobicContact CD1-CD2 3.84Å; I87-Y111 HydrophobicContact CD1-CE2 4.06Å; I87-Y111 HydrophobicContact CD1-CG 4.08Å; I87-Y111 HydrophobicContact CG1-CD2 4.4Å; I87-C220 HydrophobicContact CG2-CB 4.46Å; I87-W221 HydrophobicContact CG2-CB 3.89Å; I87-A224 HydrophobicContact CB-CB 3.99Å; I87-A224 HydrophobicContact CD1-CB 3.89Å; I87-A224 HydrophobicContact CG1-CB 4.5Å; I87-A224 HydrophobicContact CG2-CB 3.98Å |
| 88 | I | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 126.1 | -164.2 | -53.8 | 179.2 | 0 | 0 | 0 | 110.3 | L53 V54 L57 F66 I67 G68 E69 W86 I108 W221 | L53-I88 HydrophobicContact CB-CD1 4.23Å; L53-I88 HydrophobicContact CD1-CG2 3.57Å; V54-I88 HydrophobicContact CG2-CD1 3.79Å; L57-I88 HydrophobicContact CD1-CD1 4.28Å; F66-I88 HydrophobicContact CD1-CD1 4.04Å; I67-I88 PolarHBondContact O-N 2.92Å; G68-I88 WeakPolarHBondContact CA-O 3.46Å; E69-I88 PolarHBondContact N-O 3.23Å; W86-I88 HydrophobicContact CB-CD1 4.26Å; W86-I88 HydrophobicContact CB-CG1 4.28Å; I88-I108 HydrophobicContact CD1-CD1 4.06Å; I88-I108 HydrophobicContact CG1-CD1 3.87Å; I88-I108 HydrophobicContact CG1-CG1 4.06Å; I88-W221 WeakPolarHBondContact O-CB 3.32Å |
| 89 | D | 98.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.011 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 112.6 | 158.3 | -176.4 | -27.4 | 0 | 0 | 0 | 107.5 | I91 D92 S107 W221 | D89-I91 VanDerWaalsContact C-N 3.35Å; D89-I91 PolarHBondContact OD1-N 2.88Å; D89-D92 PolarHBondContact OD1-N 3.45Å; D89-D92 WeakPolarHBondContact OD2-CA 3.13Å; D89-D92 VanDerWaalsContact OD2-CB 3.26Å; D89-D92 WeakPolarHBondContact OD2-CB 3.42Å; D89-S107 PolarHBondContact N-O 3.39Å; D89-S107 PolarHBondContact O-N 3.15Å; D89-S107 VanDerWaalsContact O-O 3.07Å; D89-W221 HydrophobicContact CB-CB 3.98Å; D89-W221 HydrophobicContact CB-CG 4.31Å |
| 90 | P | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | -34.1 | -178.7 | 28 | -33.8 | 0 | 0 | 0 | 113.1 | D46 V49 E50 E70 | D46-P90 HydrophobicContact CB-CG 4.25Å; D46-P90 VanDerWaalsContact O-CB 3.23Å; D46-P90 WeakPolarHBondContact O-CB 3.44Å; V49-P90 HydrophobicContact CB-CB 3.89Å; V49-P90 HydrophobicContact CG1-CB 3.8Å; V49-P90 WeakPolarHBondContact CG1-O 3.29Å; E50-P90 HydrophobicContact CB-CB 3.93Å; E50-P90 HydrophobicContact CB-CG 4.06Å; E70-P90 HydrophobicContact CG-CG 4.01Å |
| 91 | I | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 87.3 | -180 | -56.1 | -171.5 | 0 | 0 | 0 | 109.2 | I20 V45 D46 D89 G93 T94 F97 V104 C105 | I20-I91 HydrophobicContact CD1-CD1 4.24Å; I20-I91 HydrophobicContact CD1-CG1 3.78Å; I20-I91 HydrophobicContact CG1-CD1 3.92Å; I20-I91 HydrophobicContact CG1-CG1 4.03Å; V45-I91 HydrophobicContact CB-CD1 3.99Å; V45-I91 HydrophobicContact CG1-CD1 3.86Å; D46-I91 HydrophobicContact CB-CD1 4.25Å; D46-I91 HydrophobicContact CB-CG1 4.36Å; D46-I91 WeakPolarHBondContact OD1-CB 3.49Å; D89-I91 VanDerWaalsContact C-N 3.35Å; D89-I91 PolarHBondContact OD1-N 2.88Å; I91-G93 PolarHBondContact O-N 2.9Å; I91-T94 PolarHBondContact O-N 2.96Å; I91-T94 PolarHBondContact O-OG1 3.36Å; I91-T94 VanDerWaalsContact O-OG1 3.08Å; I91-F97 HydrophobicContact CD1-CD1 4.44Å; I91-F97 HydrophobicContact CD1-CE1 4.45Å; I91-F97 HydrophobicContact CG2-CB 4.12Å; I91-F97 HydrophobicContact CG2-CG 4.34Å; I91-V104 HydrophobicContact CG2-CG1 3.43Å; I91-V104 VanDerWaalsContact CG2-CG1 3.43Å; I91-C105 CarbonylContact C-O 3.53Å; I91-C105 WeakPolarHBondContact CA-O 3.35Å |
| 92 | D | 97.4 | Very high | 96.4 | Very high | 14 Ų | 14 | 28.3 Ų | 28.3 | 8% | 0.075 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 128.1 | 168.1 | 177.6 | 26 | 0 | 0 | 0 | 108.2 | D89 V104 C105 S197 A198 A199 | D89-D92 PolarHBondContact OD1-N 3.45Å; D89-D92 WeakPolarHBondContact OD2-CA 3.13Å; D89-D92 VanDerWaalsContact OD2-CB 3.26Å; D89-D92 WeakPolarHBondContact OD2-CB 3.42Å; D92-V104 WeakPolarHBondContact O-CA 3.34Å; D92-C105 PolarHBondContact N-O 3.08Å; D92-C105 PolarHBondContact O-N 3.35Å; D92-C105 VanDerWaalsContact O-N 3.13Å; D92-S197 VanDerWaalsContact OD2-C 3.26Å; D92-S197 WeakPolarHBondContact OD2-CA 3.39Å; D92-S197 VanDerWaalsContact OD2-CB 3.26Å; D92-S197 WeakPolarHBondContact OD2-CB 3.27Å; D92-S197 PolarHBondContact OD2-OG 2.9Å; D92-A198 PolarHBondContact OD1-N 3.21Å; D92-A198 PolarHBondContact OD2-N 2.8Å; D92-A199 HydrophobicContact CB-CB 4.27Å; D92-A199 WeakPolarHBondContact OD2-CB 3.42Å; D92-A199 PolarHBondContact OD2-N 3.22Å |
| 93 | G | 95.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 26.2 Ų | 26.2 | 7% | 0.072 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 39.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I91 T95 N96 F97 G196 | I91-G93 PolarHBondContact O-N 2.9Å; G93-T95 PolarHBondContact O-N 3.05Å; G93-N96 CarbonylContact O-C 3.6Å; G93-N96 WeakPolarHBondContact O-CA 3.46Å; G93-N96 VanDerWaalsContact O-CB 3.25Å; G93-N96 WeakPolarHBondContact O-CB 3.48Å; G93-N96 PolarHBondContact O-N 3.41Å; G93-F97 PolarHBondContact O-N 3.28Å; G93-G196 WeakPolarHBondContact CA-O 3.35Å |
| 94 | T | 94.7 | Very high | 96.6 | Very high | 14 Ų | 14 | 24.7 Ų | 24.7 | 9% | 0.086 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -52.6 | -38.1 | 175.3 | -44.3 | 0 | 0 | 0 | 0 | 112.9 | L41 T43 D46 I91 N96 F97 V98 | L41-T94 HydrophobicContact CB-CG2 4.16Å; L41-T94 WeakPolarHBondContact O-CG2 3.25Å; T43-T94 HydrophobicContact CG2-CG2 4.25Å; D46-T94 WeakPolarHBondContact OD1-CG2 3.1Å; D46-T94 PolarHBondContact OD1-OG1 3.23Å; D46-T94 VanDerWaalsContact OD1-OG1 3.08Å; I91-T94 PolarHBondContact O-N 2.96Å; I91-T94 PolarHBondContact O-OG1 3.36Å; I91-T94 VanDerWaalsContact O-OG1 3.08Å; T94-N96 PolarHBondContact O-N 3.29Å; T94-F97 WeakPolarHBondContact O-CB 3.33Å; T94-F97 PolarHBondContact O-N 3.27Å; T94-V98 WeakPolarHBondContact O-CG2 3.34Å; T94-V98 PolarHBondContact O-N 2.9Å |
| 95 | T | 94 | Very high | 96.6 | Very high | 72 Ų | 72 | 23.2 Ų | 23.2 | 44% | 0.442 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 173 | -54 | 0 | 0 | 0 | 0 | 111.7 | G93 F97 V98 H99 | G93-T95 PolarHBondContact O-N 3.05Å; T95-F97 VanDerWaalsContact C-N 3.31Å; T95-F97 PolarHBondContact O-N 2.89Å; T95-V98 PolarHBondContact O-N 3.44Å; T95-H99 WeakPolarHBondContact O-CB 3.43Å; T95-H99 PolarHBondContact O-CD2 3.45Å; T95-H99 VanDerWaalsContact O-CD2 3.27Å; T95-H99 PolarHBondContact O-N 2.86Å |
| 96 | N | 95.5 | Very high | 96.7 | Very high | 21 Ų | 21 | 23.2 Ų | 23.2 | 11% | 0.112 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 174.6 | -76.1 | -18.2 | 0 | 0 | 0 | 111.3 | G93 T94 H99 K100 V101 F103 V104 F195 G196 | G93-N96 CarbonylContact O-C 3.6Å; G93-N96 WeakPolarHBondContact O-CA 3.46Å; G93-N96 VanDerWaalsContact O-CB 3.25Å; G93-N96 WeakPolarHBondContact O-CB 3.48Å; G93-N96 PolarHBondContact O-N 3.41Å; T94-N96 PolarHBondContact O-N 3.29Å; N96-H99 CarbonylContact O-C 3.5Å; N96-H99 PolarHBondContact O-N 3.2Å; N96-K100 PolarHBondContact O-N 3.42Å; N96-V101 HydrophobicContact CB-CB 3.85Å; N96-V101 HydrophobicContact CB-CG1 4.27Å; N96-V101 PolarHBondContact O-N 3.45Å; N96-F103 PolarHBondContact ND2-O 2.76Å; N96-V104 HydrophobicContact CB-CG2 3.86Å; N96-F195 PolarHBondContact ND2-O 3.41Å; N96-G196 PolarHBondContact ND2-O 3.46Å |
| 97 | F | 95.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.8 | -48.8 | 178 | 178 | -109.8 | 0 | 0 | 0 | 111.9 | I20 F24 P30 T43 V45 I91 G93 T94 T95 H99 K100 V104 | I20-F97 HydrophobicContact CG2-CD2 4.11Å; I20-F97 HydrophobicContact CG2-CE2 3.99Å; F24-F97 HydrophobicContact CB-CE2 4.12Å; F24-F97 AromaticContact CD2-CD2 3.89Å; F24-F97 HydrophobicContact CD2-CD2 3.89Å; F24-F97 HydrophobicContact CD2-CE2 4.25Å; P30-F97 HydrophobicContact CB-CE1 4.32Å; P30-F97 HydrophobicContact CG-CD1 4.5Å; P30-F97 HydrophobicContact CG-CE1 3.77Å; P30-F97 HydrophobicContact CG-CZ 4.39Å; T43-F97 HydrophobicContact CG2-CD1 3.98Å; T43-F97 HydrophobicContact CG2-CE1 4.01Å; V45-F97 HydrophobicContact CB-CE1 4.19Å; V45-F97 HydrophobicContact CB-CZ 4.18Å; V45-F97 HydrophobicContact CG1-CZ 4.32Å; V45-F97 HydrophobicContact CG2-CE1 4.08Å; V45-F97 HydrophobicContact CG2-CZ 3.95Å; I91-F97 HydrophobicContact CD1-CD1 4.44Å; I91-F97 HydrophobicContact CD1-CE1 4.45Å; I91-F97 HydrophobicContact CG2-CB 4.12Å; I91-F97 HydrophobicContact CG2-CG 4.34Å; G93-F97 PolarHBondContact O-N 3.28Å; T94-F97 WeakPolarHBondContact O-CB 3.33Å; T94-F97 PolarHBondContact O-N 3.27Å; T95-F97 VanDerWaalsContact C-N 3.31Å; T95-F97 PolarHBondContact O-N 2.89Å; F97-H99 VanDerWaalsContact C-N 3.28Å; F97-H99 PolarHBondContact O-N 3.04Å; F97-K100 PolarHBondContact O-N 3.46Å; F97-V104 HydrophobicContact CB-CG1 4.02Å; F97-V104 HydrophobicContact CB-CG2 3.86Å; F97-V104 HydrophobicContact CD2-CG1 4.22Å; F97-V104 HydrophobicContact CG-CG1 4.48Å |
| 98 | V | 93.1 | Very high | 96.7 | Very high | 13 Ų | 13 | 23.2 Ų | 23.2 | 8% | 0.079 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.4 | -39.7 | 176.4 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | M29 V32 L41 T43 T94 T95 | M29-V98 HydrophobicContact CE-CG1 3.88Å; V32-V98 HydrophobicContact CG1-CG2 4.14Å; V32-V98 HydrophobicContact CG2-CG1 4.05Å; V32-V98 HydrophobicContact CG2-CG2 3.84Å; L41-V98 HydrophobicContact CD1-CB 4.29Å; L41-V98 HydrophobicContact CD1-CG1 4.26Å; L41-V98 HydrophobicContact CD1-CG2 4.11Å; T43-V98 HydrophobicContact CG2-CG2 3.89Å; T94-V98 WeakPolarHBondContact O-CG2 3.34Å; T94-V98 PolarHBondContact O-N 2.9Å; T95-V98 PolarHBondContact O-N 3.44Å |
| 99 | H | 93.4 | Very high | 96.8 | Very high | 132 Ų | 132 | 23.2 Ų | 23.2 | 61% | 0.611 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | 5.4 | -179 | -75.7 | -81.9 | 0 | 0 | 0 | 114.9 | T95 N96 F97 V101 | T95-H99 WeakPolarHBondContact O-CB 3.43Å; T95-H99 PolarHBondContact O-CD2 3.45Å; T95-H99 VanDerWaalsContact O-CD2 3.27Å; T95-H99 PolarHBondContact O-N 2.86Å; N96-H99 CarbonylContact O-C 3.5Å; N96-H99 PolarHBondContact O-N 3.2Å; F97-H99 VanDerWaalsContact C-N 3.28Å; F97-H99 PolarHBondContact O-N 3.04Å; H99-V101 HydrophobicContact CB-CG2 4.34Å; H99-V101 PolarHBondContact O-N 2.96Å |
| 100 | K | 94.1 | Very high | 96.8 | Very high | 66 Ų | 66 | 23.3 Ų | 23.3 | 29% | 0.287 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 32.8 | -177.9 | -51.1 | -64.8 | -172.2 | 167.5 | 0 | 114 | S23 F24 C26 N96 F97 | S23-K100 PolarHBondContact O-NZ 2.79Å; F24-K100 HydrophobicContact CD2-CD 4.3Å; F24-K100 HydrophobicContact CE2-CB 4.4Å; F24-K100 HydrophobicContact CE2-CD 4.39Å; F24-K100 HydrophobicContact CG-CD 4.48Å; F24-K100 VanDerWaalsContact CZ-C 3.43Å; F24-K100 HydrophobicContact CZ-CB 4.15Å; F24-K100 WeakPolarHBondContact CZ-O 3.31Å; F24-K100 WeakPolarHBondContact O-CD 3.4Å; F24-K100 PolarHBondContact O-NZ 2.98Å; C26-K100 PolarHBondContact O-NZ 3.46Å; N96-K100 PolarHBondContact O-N 3.42Å; F97-K100 PolarHBondContact O-N 3.46Å |
| 101 | V | 96.5 | Very high | 96.8 | Very high | 52 Ų | 52 | 23.6 Ų | 23.6 | 32% | 0.315 | 13% | 0.126 | S | C | . | . | trans | -84.2 | 130.1 | 168.9 | 176.6 | 0 | 0 | 0 | 0 | 108.1 | N96 H99 F103 V104 | N96-V101 HydrophobicContact CB-CB 3.85Å; N96-V101 HydrophobicContact CB-CG1 4.27Å; N96-V101 PolarHBondContact O-N 3.45Å; H99-V101 HydrophobicContact CB-CG2 4.34Å; H99-V101 PolarHBondContact O-N 2.96Å; V101-F103 HydrophobicContact CG1-CD2 3.85Å; V101-F103 PolarHBondContact O-N 3.34Å; V101-V104 WeakPolarHBondContact O-CG2 3.35Å | ||
| 102 | P | 97.3 | Very high | 96.8 | Very high | 47 Ų | 47 | 25.3 Ų | 25.3 | 31% | 0.305 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -80.6 | 19.4 | -165.1 | 34.8 | -39.1 | 0 | 0 | 0 | 114.9 | F24 N123 V125 L126 | F24-P102 HydrophobicContact CZ-CB 4.4Å; P102-N123 PolarHBondContact O-ND2 3.37Å; P102-V125 HydrophobicContact CB-CB 4.42Å; P102-V125 HydrophobicContact CB-CG1 3.63Å; P102-L126 HydrophobicContact CB-CD2 4.03Å; P102-L126 HydrophobicContact CB-CG 4.42Å; P102-L126 WeakPolarHBondContact O-CG 3.3Å |
| 103 | F | 98.3 | Very high | 96.8 | Very high | 46 Ų | 46 | 30.1 Ų | 30.1 | 20% | 0.202 | 16% | 0.162 | C | C | . | . | trans | -104.2 | 75 | 176.6 | -62.1 | -71.6 | 0 | 0 | 0 | 109.2 | N96 V101 L126 F195 L200 Y204 | N96-F103 PolarHBondContact ND2-O 2.76Å; V101-F103 HydrophobicContact CG1-CD2 3.85Å; V101-F103 PolarHBondContact O-N 3.34Å; F103-L126 HydrophobicContact CD1-CD1 4.28Å; F103-L126 HydrophobicContact CE1-CD1 4.15Å; F103-F195 HydrophobicContact CB-CB 4.29Å; F103-F195 WeakPolarHBondContact CB-O 3.34Å; F103-F195 HydrophobicContact CD1-CB 4.18Å; F103-F195 HydrophobicContact CD1-CD1 4.22Å; F103-F195 HydrophobicContact CD1-CG 4.31Å; F103-F195 HydrophobicContact CD2-CB 4.24Å; F103-F195 HydrophobicContact CD2-CD1 4.03Å; F103-F195 AromaticContact CE1-CD1 3.84Å; F103-F195 HydrophobicContact CE1-CD1 3.84Å; F103-F195 HydrophobicContact CE1-CE1 4.22Å; F103-F195 HydrophobicContact CE1-CG 4.27Å; F103-F195 AromaticContact CE2-CD1 3.64Å; F103-F195 HydrophobicContact CE2-CD1 3.64Å; F103-F195 HydrophobicContact CE2-CE1 4.23Å; F103-F195 HydrophobicContact CG-CB 3.98Å; F103-F195 HydrophobicContact CG-CD1 4.31Å; F103-F195 HydrophobicContact CG-CG 4.45Å; F103-F195 AromaticContact CZ-CD1 3.54Å; F103-F195 HydrophobicContact CZ-CD1 3.54Å; F103-F195 AromaticContact CZ-CE1 3.81Å; F103-F195 HydrophobicContact CZ-CE1 3.81Å; F103-F195 HydrophobicContact CZ-CG 4.39Å; F103-L200 HydrophobicContact CB-CD1 4.02Å; F103-L200 HydrophobicContact CD1-CD1 4.39Å; F103-Y204 HydrophobicContact CD1-CE2 4.16Å; F103-Y204 HydrophobicContact CE1-CE2 4.07Å; F103-Y204 WeakPolarHBondContact CE1-OH 3.44Å | ||
| 104 | V | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -135.3 | 134.4 | -176.2 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | I20 F24 I91 D92 N96 F97 V101 N123 | I20-V104 HydrophobicContact CG2-CG1 4.01Å; F24-V104 HydrophobicContact CE2-CG2 4.37Å; I91-V104 HydrophobicContact CG2-CG1 3.43Å; I91-V104 VanDerWaalsContact CG2-CG1 3.43Å; D92-V104 WeakPolarHBondContact O-CA 3.34Å; N96-V104 HydrophobicContact CB-CG2 3.86Å; F97-V104 HydrophobicContact CB-CG1 4.02Å; F97-V104 HydrophobicContact CB-CG2 3.86Å; F97-V104 HydrophobicContact CD2-CG1 4.22Å; F97-V104 HydrophobicContact CG-CG1 4.48Å; V101-V104 WeakPolarHBondContact O-CG2 3.35Å; V104-N123 WeakPolarHBondContact O-CA 3.13Å; V104-N123 WeakPolarHBondContact O-CB 3.32Å; V104-N123 PolarHBondContact O-OD1 2.83Å | ||
| 105 | C | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 157.2 | 179.1 | 62.7 | 0 | 0 | 0 | 0 | 114.4 | I91 D92 I121 Y122 N123 L200 | I91-C105 CarbonylContact C-O 3.53Å; I91-C105 WeakPolarHBondContact CA-O 3.35Å; D92-C105 PolarHBondContact N-O 3.08Å; D92-C105 PolarHBondContact O-N 3.35Å; D92-C105 VanDerWaalsContact O-N 3.13Å; C105-I121 HydrophobicContact CB-CG2 3.94Å; C105-Y122 CarbonylContact C-O 3.09Å; C105-Y122 WeakPolarHBondContact CA-O 3.48Å; C105-Y122 WeakPolarHBondContact CB-O 3.25Å; C105-N123 HydrophobicContact CB-CB 4.34Å; C105-L200 HydrophobicContact CB-CD1 4.31Å; C105-L200 HydrophobicContact CB-CD2 4.06Å; C105-L200 HydrophobicContact CB-CG 4.08Å |
| 106 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 132 | 159.4 | -175.1 | 0 | 0 | 0 | 0 | 107.7 | V13 I20 V49 L53 I121 Y122 | V13-V106 HydrophobicContact CG1-CB 4.31Å; V13-V106 HydrophobicContact CG1-CG1 4.45Å; V13-V106 HydrophobicContact CG2-CG1 4.26Å; I20-V106 HydrophobicContact CD1-CG2 3.42Å; I20-V106 VanDerWaalsContact CD1-CG2 3.42Å; V49-V106 HydrophobicContact CG1-CG2 4.2Å; L53-V106 HydrophobicContact CD1-CG1 3.74Å; V106-I121 CarbonylContact O-C 3.55Å; V106-I121 WeakPolarHBondContact O-CA 3.38Å; V106-Y122 PolarHBondContact N-O 2.96Å; V106-Y122 PolarHBondContact O-N 3.28Å |
| 107 | S | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 128.6 | 172.4 | 169.9 | 0 | 0 | 0 | 0 | 110.1 | D89 W221 | D89-S107 PolarHBondContact N-O 3.39Å; D89-S107 PolarHBondContact O-N 3.15Å; D89-S107 VanDerWaalsContact O-O 3.07Å; S107-W221 PolarHBondContact OG-O 3.34Å |
| 108 | I | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 134.9 | 179.6 | -178 | 162.1 | 0 | 0 | 0 | 111.9 | V9 V13 L57 W86 I87 I88 V120 A225 | V9-I108 HydrophobicContact CG2-CB 4.41Å; V9-I108 HydrophobicContact CG2-CD1 3.58Å; V9-I108 HydrophobicContact CG2-CG1 3.97Å; V9-I108 HydrophobicContact CG2-CG2 3.54Å; V13-I108 HydrophobicContact CG2-CG2 3.43Å; V13-I108 VanDerWaalsContact CG2-CG2 3.43Å; L57-I108 HydrophobicContact CD1-CD1 3.58Å; W86-I108 HydrophobicContact CE3-CD1 3.85Å; W86-I108 HydrophobicContact CE3-CG1 3.84Å; W86-I108 HydrophobicContact CZ3-CD1 4.32Å; W86-I108 HydrophobicContact CZ3-CG1 4.31Å; I87-I108 WeakPolarHBondContact O-CA 3.4Å; I88-I108 HydrophobicContact CD1-CD1 4.06Å; I88-I108 HydrophobicContact CG1-CD1 3.87Å; I88-I108 HydrophobicContact CG1-CG1 4.06Å; I108-V120 HydrophobicContact CG2-CB 3.86Å; I108-V120 PolarHBondContact N-O 3.26Å; I108-V120 PolarHBondContact O-N 3.1Å; I108-A225 WeakPolarHBondContact O-CB 3.32Å |
| 109 | A | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 146.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | W86 I87 Y111 I118 A224 A225 | W86-A109 CarbonylContact C-O 3.37Å; W86-A109 VanDerWaalsContact CA-O 3.28Å; W86-A109 WeakPolarHBondContact CA-O 3.34Å; I87-A109 PolarHBondContact N-O 2.72Å; I87-A109 PolarHBondContact O-N 2.78Å; A109-Y111 HydrophobicContact CB-CD2 4.03Å; A109-Y111 HydrophobicContact CB-CE2 3.88Å; A109-I118 CarbonylContact C-O 3.56Å; A109-I118 WeakPolarHBondContact CA-O 3.37Å; A109-A224 HydrophobicContact CB-CB 3.76Å; A109-A225 HydrophobicContact CB-CB 4.12Å |
| 110 | L | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 123.9 | 164.2 | 179.2 | 60.4 | 0 | 0 | 0 | 108.9 | A5 P84 W86 V112 A117 I118 | A5-L110 HydrophobicContact CB-CD2 4.14Å; P84-L110 HydrophobicContact CB-CD1 4.22Å; W86-L110 HydrophobicContact CD2-CB 4.32Å; W86-L110 HydrophobicContact CD2-CD1 3.94Å; W86-L110 HydrophobicContact CE3-CB 3.85Å; W86-L110 HydrophobicContact CE3-CD1 4.34Å; W86-L110 HydrophobicContact CG-CD1 4.36Å; W86-L110 HydrophobicContact CH2-CB 3.97Å; W86-L110 HydrophobicContact CH2-CD2 4.22Å; W86-L110 HydrophobicContact CH2-CG 4.47Å; W86-L110 HydrophobicContact CZ2-CB 4.41Å; W86-L110 HydrophobicContact CZ2-CD1 4.11Å; W86-L110 HydrophobicContact CZ2-CD2 4.19Å; W86-L110 HydrophobicContact CZ2-CG 4.47Å; W86-L110 HydrophobicContact CZ3-CB 3.67Å; L110-V112 HydrophobicContact CD1-CG2 4.48Å; L110-V112 HydrophobicContact CD2-CG2 4.36Å; L110-V112 HydrophobicContact CG-CG2 4.14Å; L110-A117 HydrophobicContact CG-CB 4.48Å; L110-A117 PolarHBondContact O-N 3.09Å; L110-I118 HydrophobicContact CB-CB 3.95Å; L110-I118 HydrophobicContact CB-CD1 4.37Å; L110-I118 HydrophobicContact CB-CG1 4.31Å; L110-I118 HydrophobicContact CD2-CD1 3.92Å; L110-I118 HydrophobicContact CD2-CG1 4.42Å; L110-I118 PolarHBondContact N-O 3.18Å; L110-I118 PolarHBondContact O-N 2.73Å |
| 111 | Y | 98.3 | Very high | 98.1 | Very high | 7 Ų | 7 | 23.5 Ų | 23.5 | 3% | 0.027 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 136.6 | 170.6 | -85.9 | -123 | 0 | 0 | 0 | 110.2 | L80 P84 T85 I87 A109 A115 P116 A224 V247 | L80-Y111 HydrophobicContact CD1-CD1 4.21Å; L80-Y111 HydrophobicContact CD1-CG 4.29Å; L80-Y111 HydrophobicContact CD2-CD1 3.86Å; L80-Y111 HydrophobicContact CD2-CE1 4.26Å; P84-Y111 CarbonylContact C-O 3.56Å; P84-Y111 VanDerWaalsContact CA-O 3.29Å; P84-Y111 WeakPolarHBondContact CA-O 3.19Å; T85-Y111 PolarHBondContact N-O 2.67Å; T85-Y111 PolarHBondContact O-N 3.34Å; I87-Y111 HydrophobicContact CD1-CD1 4.47Å; I87-Y111 HydrophobicContact CD1-CD2 3.84Å; I87-Y111 HydrophobicContact CD1-CE2 4.06Å; I87-Y111 HydrophobicContact CD1-CG 4.08Å; I87-Y111 HydrophobicContact CG1-CD2 4.4Å; A109-Y111 HydrophobicContact CB-CD2 4.03Å; A109-Y111 HydrophobicContact CB-CE2 3.88Å; Y111-A115 CarbonylContact C-O 3.56Å; Y111-A115 VanDerWaalsContact CA-O 3.25Å; Y111-A115 WeakPolarHBondContact CA-O 3.26Å; Y111-P116 HydrophobicContact CD2-CB 4.2Å; Y111-P116 HydrophobicContact CE1-CB 4.3Å; Y111-P116 HydrophobicContact CE2-CB 3.65Å; Y111-A224 HydrophobicContact CE2-CB 3.75Å; Y111-V247 HydrophobicContact CE1-CB 4.43Å; Y111-V247 HydrophobicContact CE1-CG1 4.09Å; Y111-V247 HydrophobicContact CE1-CG2 4.43Å |
| 112 | V | 97.5 | Very high | 98.2 | Very high | 36 Ų | 36 | 22.1 Ų | 22.1 | 22% | 0.218 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 131.5 | 175 | -176.1 | 0 | 0 | 0 | 0 | 107.7 | P84 L110 K114 A115 A117 | P84-V112 HydrophobicContact CB-CG2 4.36Å; P84-V112 HydrophobicContact CG-CG2 4.45Å; L110-V112 HydrophobicContact CD1-CG2 4.48Å; L110-V112 HydrophobicContact CD2-CG2 4.36Å; L110-V112 HydrophobicContact CG-CG2 4.14Å; V112-K114 PolarHBondContact O-N 2.56Å; V112-A115 PolarHBondContact N-O 2.85Å; V112-A115 PolarHBondContact O-N 3.37Å; V112-A117 HydrophobicContact CG2-CB 4.26Å |
| 113 | N | 97 | Very high | 98.3 | Very high | 115 Ų | 115 | 19.9 Ų | 19.9 | 62% | 0.615 | 11% | 0.108 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 40.4 | -173.2 | -57.8 | -47.6 | 0 | 0 | 0 | 112.5 | D82 A115 | D82-N113 WeakPolarHBondContact O-CA 3.36Å; D82-N113 PolarHBondContact O-N 3.37Å; D82-N113 PolarHBondContact O-OD1 3.33Å; N113-A115 PolarHBondContact O-N 3.14Å; N113-A115 VanDerWaalsContact O-N 3.09Å |
| 114 | K | 96.6 | Very high | 98.3 | Very high | 106 Ų | 106 | 17.8 Ų | 17.8 | 46% | 0.461 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 16.8 | -175.4 | -52 | -177.9 | -179.6 | 99.4 | 0 | 115.1 | L80 T81 D82 V112 | L80-K114 HydrophobicContact CD2-CB 4.32Å; L80-K114 HydrophobicContact CG-CB 4.43Å; L80-K114 HydrophobicContact CG-CG 4.24Å; L80-K114 VanDerWaalsContact O-CE 3.25Å; L80-K114 WeakPolarHBondContact O-CE 3.21Å; T81-K114 WeakPolarHBondContact O-CG 3.29Å; D82-K114 IonicContact OD1-NZ 3.82Å; D82-K114 PolarHBondContact OD1-NZ 2.85Å; D82-K114 IonicContact OD2-NZ 2.67Å; V112-K114 PolarHBondContact O-N 2.56Å |
| 115 | A | 96.9 | Very high | 98.3 | Very high | 49 Ų | 49 | 19.6 Ų | 19.6 | 41% | 0.405 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 142.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y111 V112 N113 A117 | Y111-A115 CarbonylContact C-O 3.56Å; Y111-A115 VanDerWaalsContact CA-O 3.25Å; Y111-A115 WeakPolarHBondContact CA-O 3.26Å; V112-A115 PolarHBondContact N-O 2.85Å; V112-A115 PolarHBondContact O-N 3.37Å; N113-A115 PolarHBondContact O-N 3.14Å; N113-A115 VanDerWaalsContact O-N 3.09Å; A115-A117 PolarHBondContact O-N 2.82Å |
| 116 | P | 97.6 | Very high | 98.2 | Very high | 24 Ų | 24 | 23 Ų | 23 | 16% | 0.156 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 128.2 | 177.7 | 27.4 | -33.2 | 0 | 0 | 0 | 111.2 | Y111 L228 | Y111-P116 HydrophobicContact CD2-CB 4.2Å; Y111-P116 HydrophobicContact CE1-CB 4.3Å; Y111-P116 HydrophobicContact CE2-CB 3.65Å; P116-L228 HydrophobicContact CB-CB 3.97Å; P116-L228 HydrophobicContact CB-CD1 4.19Å; P116-L228 HydrophobicContact CB-CD2 4.29Å; P116-L228 HydrophobicContact CB-CG 4.37Å; P116-L228 HydrophobicContact CG-CB 4.4Å; P116-L228 HydrophobicContact CG-CD1 4.17Å |
| 117 | A | 98.4 | Very high | 98.2 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 5% | 0.05 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L110 V112 A115 R133 K134 | L110-A117 HydrophobicContact CG-CB 4.48Å; L110-A117 PolarHBondContact O-N 3.09Å; V112-A117 HydrophobicContact CG2-CB 4.26Å; A115-A117 PolarHBondContact O-N 2.82Å; A117-R133 WeakPolarHBondContact O-CA 3.33Å; A117-K134 PolarHBondContact O-N 3.31Å |
| 118 | I | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 140.7 | -179.6 | -57.3 | 173.5 | 0 | 0 | 0 | 108.8 | A5 Y6 V9 A109 L110 V120 R133 | A5-I118 HydrophobicContact CB-CD1 3.97Å; Y6-I118 HydrophobicContact CD2-CD1 4.49Å; Y6-I118 HydrophobicContact CD2-CG2 3.73Å; Y6-I118 HydrophobicContact CE2-CG2 4.29Å; V9-I118 HydrophobicContact CG1-CG2 4.29Å; A109-I118 CarbonylContact C-O 3.56Å; A109-I118 WeakPolarHBondContact CA-O 3.37Å; L110-I118 HydrophobicContact CB-CB 3.95Å; L110-I118 HydrophobicContact CB-CD1 4.37Å; L110-I118 HydrophobicContact CB-CG1 4.31Å; L110-I118 HydrophobicContact CD2-CD1 3.92Å; L110-I118 HydrophobicContact CD2-CG1 4.42Å; L110-I118 PolarHBondContact N-O 3.18Å; L110-I118 PolarHBondContact O-N 2.73Å; I118-V120 HydrophobicContact CG2-CG2 4.1Å; I118-R133 HydrophobicContact CG1-CG 4.37Å |
| 119 | G | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 129.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110 | T131 A132 | G119-T131 CarbonylContact O-C 3.44Å; G119-T131 WeakPolarHBondContact O-CA 3.21Å; G119-A132 PolarHBondContact N-O 3.02Å; G119-A132 PolarHBondContact O-N 3.43Å |
| 120 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 126.8 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | Y6 V9 L10 V13 I108 I118 L129 F130 T131 | Y6-V120 HydrophobicContact CE2-CG2 4.46Å; V9-V120 HydrophobicContact CG1-CG2 3.96Å; L10-V120 HydrophobicContact CD2-CG1 4.09Å; L10-V120 HydrophobicContact CD2-CG2 4.1Å; V13-V120 HydrophobicContact CB-CG1 4.37Å; V13-V120 HydrophobicContact CG1-CG1 4.05Å; V13-V120 HydrophobicContact CG2-CG1 4.1Å; I108-V120 HydrophobicContact CG2-CB 3.86Å; I108-V120 PolarHBondContact N-O 3.26Å; I108-V120 PolarHBondContact O-N 3.1Å; I118-V120 HydrophobicContact CG2-CG2 4.1Å; V120-L129 HydrophobicContact CG1-CD1 3.67Å; V120-F130 WeakPolarHBondContact CA-O 3.47Å; V120-T131 HydrophobicContact CG1-CG2 4.23Å; V120-T131 HydrophobicContact CG2-CG2 4.25Å |
| 121 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 123.3 | 172.9 | -66.6 | 168.7 | 0 | 0 | 0 | 107.5 | C105 V106 F130 A199 L200 C203 A225 I229 | C105-I121 HydrophobicContact CB-CG2 3.94Å; V106-I121 CarbonylContact O-C 3.55Å; V106-I121 WeakPolarHBondContact O-CA 3.38Å; I121-F130 HydrophobicContact CB-CB 4.31Å; I121-F130 PolarHBondContact N-O 3.03Å; I121-F130 PolarHBondContact O-N 3.21Å; I121-A199 HydrophobicContact CD1-CB 3.68Å; I121-A199 HydrophobicContact CG1-CB 4.13Å; I121-A199 HydrophobicContact CG2-CB 4.14Å; I121-L200 HydrophobicContact CG2-CD2 4.05Å; I121-C203 WeakPolarHBondContact CD1-SG 3.33Å; I121-A225 HydrophobicContact CD1-CB 4.01Å; I121-A225 HydrophobicContact CG1-CB 3.74Å; I121-I229 HydrophobicContact CB-CD1 4.26Å; I121-I229 HydrophobicContact CD1-CD1 3.82Å; I121-I229 HydrophobicContact CG1-CD1 3.97Å |
| 122 | Y | 98.9 | Very high | 98.3 | Very high | 23 Ų | 23 | 29.9 Ų | 29.9 | 9% | 0.09 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 116.5 | -177 | 178.8 | -137.4 | 0 | 0 | 0 | 111.4 | V13 C105 V106 P124 E128 L129 | V13-Y122 HydrophobicContact CG1-CD1 3.73Å; V13-Y122 HydrophobicContact CG1-CG 3.87Å; C105-Y122 CarbonylContact C-O 3.09Å; C105-Y122 WeakPolarHBondContact CA-O 3.48Å; C105-Y122 WeakPolarHBondContact CB-O 3.25Å; V106-Y122 PolarHBondContact N-O 2.96Å; V106-Y122 PolarHBondContact O-N 3.28Å; Y122-P124 HydrophobicContact CD1-CB 4.22Å; Y122-P124 HydrophobicContact CE1-CB 3.66Å; Y122-P124 VanDerWaalsContact O-CD 3.25Å; Y122-P124 WeakPolarHBondContact O-CD 3.38Å; Y122-E128 WeakPolarHBondContact CA-O 3.33Å; Y122-E128 WeakPolarHBondContact CD2-O 3.32Å; Y122-L129 HydrophobicContact CD2-CB 3.92Å; Y122-L129 HydrophobicContact CD2-CD1 4.18Å; Y122-L129 HydrophobicContact CE2-CB 4.44Å; Y122-L129 HydrophobicContact CG-CD1 4.22Å |
| 123 | N | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 105.9 | 166.4 | -176.3 | -30 | 0 | 0 | 0 | 109.3 | P102 V104 C105 V125 L126 E127 E128 L200 | P102-N123 PolarHBondContact O-ND2 3.37Å; V104-N123 WeakPolarHBondContact O-CA 3.13Å; V104-N123 WeakPolarHBondContact O-CB 3.32Å; V104-N123 PolarHBondContact O-OD1 2.83Å; C105-N123 HydrophobicContact CB-CB 4.34Å; N123-V125 VanDerWaalsContact C-N 3.3Å; N123-V125 PolarHBondContact O-N 3.28Å; N123-V125 WeakPolarHBondContact OD1-CA 3.21Å; N123-V125 WeakPolarHBondContact OD1-CB 3.4Å; N123-V125 PolarHBondContact OD1-N 3.46Å; N123-L126 HydrophobicContact CB-CB 4.47Å; N123-L126 WeakPolarHBondContact ND2-CD1 3.46Å; N123-L126 PolarHBondContact OD1-N 3.14Å; N123-E127 VanDerWaalsContact O-CA 3.31Å; N123-E127 WeakPolarHBondContact O-CA 3.24Å; N123-E127 PolarHBondContact O-N 2.97Å; N123-E128 HydrophobicContact CB-CB 4.35Å; N123-E128 PolarHBondContact N-O 3.28Å; N123-E128 PolarHBondContact O-N 3.1Å; N123-L200 HydrophobicContact CB-CD1 4.42Å; N123-L200 HydrophobicContact CB-CD2 4.06Å |
| 124 | P | 98.3 | Very high | 98.4 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -10.6 | -177.1 | 34.7 | -37.1 | 0 | 0 | 0 | 113.5 | G17 I20 R21 Y122 | G17-P124 WeakPolarHBondContact O-CB 3.48Å; G17-P124 WeakPolarHBondContact O-CG 3.39Å; I20-P124 HydrophobicContact CB-CG 3.79Å; I20-P124 HydrophobicContact CD1-CG 4.37Å; I20-P124 HydrophobicContact CG2-CG 3.69Å; R21-P124 HydrophobicContact CB-CB 4.22Å; Y122-P124 HydrophobicContact CD1-CB 4.22Å; Y122-P124 HydrophobicContact CE1-CB 3.66Å; Y122-P124 VanDerWaalsContact O-CD 3.25Å; Y122-P124 WeakPolarHBondContact O-CD 3.38Å |
| 125 | V | 97.7 | Very high | 98.4 | Very high | 39 Ų | 39 | 28.8 Ų | 28.8 | 24% | 0.236 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -42.2 | 176.2 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | F24 P102 N123 | F24-V125 HydrophobicContact CB-CG2 4.19Å; F24-V125 HydrophobicContact CD1-CG1 3.91Å; F24-V125 HydrophobicContact CD1-CG2 3.84Å; F24-V125 HydrophobicContact CD2-CG2 3.82Å; F24-V125 HydrophobicContact CE1-CG1 3.58Å; F24-V125 HydrophobicContact CE1-CG2 4.12Å; F24-V125 HydrophobicContact CE2-CG2 4.08Å; F24-V125 HydrophobicContact CG-CG2 3.68Å; F24-V125 HydrophobicContact CZ-CG1 3.96Å; F24-V125 HydrophobicContact CZ-CG2 4.21Å; P102-V125 HydrophobicContact CB-CB 4.42Å; P102-V125 HydrophobicContact CB-CG1 3.63Å; N123-V125 VanDerWaalsContact C-N 3.3Å; N123-V125 PolarHBondContact O-N 3.28Å; N123-V125 WeakPolarHBondContact OD1-CA 3.21Å; N123-V125 WeakPolarHBondContact OD1-CB 3.4Å; N123-V125 PolarHBondContact OD1-N 3.46Å |
| 126 | L | 98 | Very high | 98.5 | Very high | 70 Ų | 70 | 31.4 Ų | 31.4 | 37% | 0.366 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -4.6 | 177 | -60 | -177.3 | 0 | 0 | 0 | 113.6 | P102 F103 N123 E128 | P102-L126 HydrophobicContact CB-CD2 4.03Å; P102-L126 HydrophobicContact CB-CG 4.42Å; P102-L126 WeakPolarHBondContact O-CG 3.3Å; F103-L126 HydrophobicContact CD1-CD1 4.28Å; F103-L126 HydrophobicContact CE1-CD1 4.15Å; N123-L126 HydrophobicContact CB-CB 4.47Å; N123-L126 WeakPolarHBondContact ND2-CD1 3.46Å; N123-L126 PolarHBondContact OD1-N 3.14Å; L126-E128 VanDerWaalsContact C-N 3.28Å; L126-E128 HydrophobicContact CB-CG 3.97Å; L126-E128 PolarHBondContact O-N 2.99Å |
| 127 | E | 98.2 | Very high | 98.6 | Very high | 104 Ų | 104 | 31.3 Ų | 31.3 | 49% | 0.486 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 43.4 | -177 | -56.1 | -176.5 | 161 | 0 | 0 | 112.1 | N123 N141 | N123-E127 VanDerWaalsContact O-CA 3.31Å; N123-E127 WeakPolarHBondContact O-CA 3.24Å; N123-E127 PolarHBondContact O-N 2.97Å; E127-N141 PolarHBondContact O-ND2 3.18Å; E127-N141 PolarHBondContact O-OD1 2.86Å |
| 128 | E | 98.6 | Very high | 98.6 | Very high | 13 Ų | 13 | 31.1 Ų | 31.1 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 109.1 | 178 | -62.6 | -179.4 | 134.3 | 0 | 0 | 110.4 | Y122 N123 L126 F130 R140 Y204 | Y122-E128 WeakPolarHBondContact CA-O 3.33Å; Y122-E128 WeakPolarHBondContact CD2-O 3.32Å; N123-E128 HydrophobicContact CB-CB 4.35Å; N123-E128 PolarHBondContact N-O 3.28Å; N123-E128 PolarHBondContact O-N 3.1Å; L126-E128 VanDerWaalsContact C-N 3.28Å; L126-E128 HydrophobicContact CB-CG 3.97Å; L126-E128 PolarHBondContact O-N 2.99Å; E128-F130 HydrophobicContact CB-CD2 4.29Å; E128-F130 HydrophobicContact CB-CE2 3.68Å; E128-F130 HydrophobicContact CB-CZ 4.44Å; E128-R140 IonicContact OE1-CZ 2.83Å; E128-R140 IonicContact OE1-NE 3.07Å; E128-R140 IonicContact OE1-NH1 2.59Å; E128-R140 PolarHBondContact OE1-NH1 2.77Å; E128-R140 VanDerWaalsContact OE1-NH1 3.07Å; E128-R140 IonicContact OE1-NH2 2.82Å; E128-R140 PolarHBondContact OE1-NH2 2.53Å; E128-Y204 PolarHBondContact OE2-OH 2.9Å |
| 129 | L | 98.9 | Very high | 98.6 | Very high | 31 Ų | 31 | 33.9 Ų | 33.9 | 16% | 0.162 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 106.6 | 175.3 | 176.9 | 63.1 | 0 | 0 | 0 | 109.7 | L10 V120 Y122 T131 R140 N141 | L10-L129 HydrophobicContact CD2-CD1 4.32Å; L10-L129 HydrophobicContact CD2-CD2 4.24Å; V120-L129 HydrophobicContact CG1-CD1 3.67Å; Y122-L129 HydrophobicContact CD2-CB 3.92Å; Y122-L129 HydrophobicContact CD2-CD1 4.18Å; Y122-L129 HydrophobicContact CE2-CB 4.44Å; Y122-L129 HydrophobicContact CG-CD1 4.22Å; L129-T131 HydrophobicContact CD1-CG2 4.05Å; L129-T131 HydrophobicContact CD2-CG2 4.47Å; L129-T131 HydrophobicContact CG-CG2 3.95Å; L129-R140 CarbonylContact O-C 3.58Å; L129-R140 WeakPolarHBondContact O-CA 3.31Å; L129-N141 WeakPolarHBondContact CB-OD1 3.15Å; L129-N141 PolarHBondContact N-OD1 2.84Å; L129-N141 PolarHBondContact O-N 2.87Å |
| 130 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 134 | 172.4 | -63.5 | -92.7 | 0 | 0 | 0 | 110.2 | V120 I121 E128 F139 R140 I145 C203 Y204 L207 I229 | V120-F130 WeakPolarHBondContact CA-O 3.47Å; I121-F130 HydrophobicContact CB-CB 4.31Å; I121-F130 PolarHBondContact N-O 3.03Å; I121-F130 PolarHBondContact O-N 3.21Å; E128-F130 HydrophobicContact CB-CD2 4.29Å; E128-F130 HydrophobicContact CB-CE2 3.68Å; E128-F130 HydrophobicContact CB-CZ 4.44Å; F130-F139 CarbonylContact C-O 3.58Å; F130-F139 VanDerWaalsContact CA-O 3.28Å; F130-F139 WeakPolarHBondContact CA-O 3.28Å; F130-R140 HydrophobicContact CD1-CB 3.92Å; F130-R140 HydrophobicContact CD1-CG 4.2Å; F130-R140 HydrophobicContact CE1-CB 3.81Å; F130-R140 HydrophobicContact CE1-CG 3.8Å; F130-R140 HydrophobicContact CZ-CB 4.49Å; F130-R140 HydrophobicContact CZ-CG 3.97Å; F130-I145 HydrophobicContact CD1-CD1 4.02Å; F130-I145 HydrophobicContact CE1-CD1 4.36Å; F130-C203 HydrophobicContact CB-CB 4.4Å; F130-C203 VanDerWaalsContact CB-SG 3.52Å; F130-C203 HydrophobicContact CD1-CB 3.75Å; F130-C203 HydrophobicContact CD2-CB 3.77Å; F130-C203 HydrophobicContact CE1-CB 3.83Å; F130-C203 HydrophobicContact CE2-CB 3.85Å; F130-C203 HydrophobicContact CG-CB 3.71Å; F130-C203 WeakPolarHBondContact CG-SG 3.35Å; F130-C203 HydrophobicContact CZ-CB 3.88Å; F130-Y204 HydrophobicContact CZ-CD1 4.35Å; F130-Y204 HydrophobicContact CZ-CE1 4.25Å; F130-L207 HydrophobicContact CE1-CB 4.36Å; F130-L207 HydrophobicContact CE1-CD2 4.49Å; F130-I229 HydrophobicContact CB-CD1 4.09Å |
| 131 | T | 98.9 | Very high | 98.6 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 6% | 0.055 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 146.4 | -176.7 | 56.8 | 0 | 0 | 0 | 0 | 111.2 | Y6 L10 G119 V120 L129 A138 F139 | Y6-T131 VanDerWaalsContact OH-CB 3.23Å; Y6-T131 WeakPolarHBondContact OH-CB 3.35Å; Y6-T131 PolarHBondContact OH-OG1 3.17Å; L10-T131 HydrophobicContact CD2-CG2 3.73Å; G119-T131 CarbonylContact O-C 3.44Å; G119-T131 WeakPolarHBondContact O-CA 3.21Å; V120-T131 HydrophobicContact CG1-CG2 4.23Å; V120-T131 HydrophobicContact CG2-CG2 4.25Å; L129-T131 HydrophobicContact CD1-CG2 4.05Å; L129-T131 HydrophobicContact CD2-CG2 4.47Å; L129-T131 HydrophobicContact CG-CG2 3.95Å; T131-A138 CarbonylContact O-C 3.57Å; T131-A138 WeakPolarHBondContact O-CA 3.32Å; T131-F139 PolarHBondContact N-O 3.13Å; T131-F139 PolarHBondContact O-N 2.84Å |
| 132 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 145.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | G119 A138 L228 I229 E232 | G119-A132 PolarHBondContact N-O 3.02Å; G119-A132 PolarHBondContact O-N 3.43Å; A132-A138 HydrophobicContact CB-CB 4.35Å; A132-L228 HydrophobicContact CB-CD2 4.26Å; A132-L228 HydrophobicContact CB-CG 4Å; A132-I229 HydrophobicContact CB-CB 4.31Å; A132-I229 HydrophobicContact CB-CG1 3.68Å; A132-E232 HydrophobicContact CB-CB 4.04Å; A132-E232 HydrophobicContact CB-CG 4.06Å |
| 133 | R | 98.5 | Very high | 98.5 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 24% | 0.238 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 142.9 | 165 | -62.6 | 179.8 | -69 | 167.8 | 3.4 | 107.4 | D3 Y6 A117 I118 G135 H136 | D3-R133 IonicContact OD1-NH1 3.21Å; D3-R133 PolarHBondContact OD1-NH1 2.86Å; Y6-R133 HydrophobicContact CD2-CG 3.69Å; Y6-R133 HydrophobicContact CE2-CG 3.81Å; Y6-R133 HydrophobicContact CG-CG 4.15Å; A117-R133 WeakPolarHBondContact O-CA 3.33Å; I118-R133 HydrophobicContact CG1-CG 4.37Å; R133-G135 PolarHBondContact O-N 3.08Å; R133-H136 HydrophobicContact CB-CB 4.04Å; R133-H136 WeakPolarHBondContact O-CB 3.36Å; R133-H136 PolarHBondContact O-N 3.22Å |
| 134 | K | 98.3 | Very high | 98.5 | Very high | 105 Ų | 105 | 55.1 Ų | 55.1 | 46% | 0.457 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 125.3 | -177.5 | -169.1 | 69.9 | -176.7 | 169.8 | 0 | 110.9 | A117 H136 L228 E232 | A117-K134 PolarHBondContact O-N 3.31Å; K134-H136 VanDerWaalsContact C-N 3.32Å; K134-H136 PolarHBondContact O-N 2.87Å; K134-H136 PolarHBondContact O-ND1 3.28Å; K134-L228 HydrophobicContact CB-CD1 4.34Å; K134-L228 HydrophobicContact CD-CD1 3.72Å; K134-E232 WeakPolarHBondContact CA-OE1 3.46Å |
| 135 | G | 98.2 | Very high | 98.6 | Very high | 66 Ų | 66 | 56.1 Ų | 56.1 | 68% | 0.68 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 11.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | R133 E232 | R133-G135 PolarHBondContact O-N 3.08Å; G135-E232 WeakPolarHBondContact CA-OE2 3.12Å; G135-E232 PolarHBondContact N-OE1 3.11Å; G135-E232 PolarHBondContact N-OE2 3.2Å |
| 136 | H | 98.3 | Very high | 98.6 | Very high | 104 Ų | 104 | 60.5 Ų | 60.5 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -117.8 | 1.1 | -176.8 | -65.7 | 76.1 | 0 | 0 | 0 | 113.8 | R133 K134 F139 E232 | R133-H136 HydrophobicContact CB-CB 4.04Å; R133-H136 WeakPolarHBondContact O-CB 3.36Å; R133-H136 PolarHBondContact O-N 3.22Å; K134-H136 VanDerWaalsContact C-N 3.32Å; K134-H136 PolarHBondContact O-N 2.87Å; K134-H136 PolarHBondContact O-ND1 3.28Å; H136-F139 VanDerWaalsContact O-CE2 3.31Å; H136-F139 WeakPolarHBondContact O-CE2 3.29Å; H136-E232 PolarHBondContact N-OE2 3.35Å; H136-E232 VanDerWaalsContact N-OE2 3.09Å |
| 137 | G | 98.6 | Very high | 98.7 | Very high | 22 Ų | 22 | 57.4 Ų | 57.4 | 23% | 0.227 | 31% | 0.31 | C | S | . | . | trans | 82.4 | 171.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E232 | G137-E232 PolarHBondContact N-OE2 3.26Š| ||
| 138 | A | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 2% | 0.017 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 146.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | T131 A132 P144 I145 I229 E232 A233 | T131-A138 CarbonylContact O-C 3.57Å; T131-A138 WeakPolarHBondContact O-CA 3.32Å; A132-A138 HydrophobicContact CB-CB 4.35Å; A138-P144 WeakPolarHBondContact O-CA 3.45Å; A138-I145 HydrophobicContact CB-CD1 4.03Å; A138-I145 HydrophobicContact CB-CG1 3.71Å; A138-I145 PolarHBondContact O-N 2.89Å; A138-I229 HydrophobicContact CB-CG2 4.36Å; A138-I229 WeakPolarHBondContact CB-O 3.4Å; A138-E232 HydrophobicContact CB-CB 4.06Å; A138-A233 HydrophobicContact CB-CB 3.91Å |
| 139 | F | 98.9 | Very high | 98.7 | Very high | 60 Ų | 60 | 59.7 Ų | 59.7 | 26% | 0.263 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 146.7 | -176.4 | -55 | -97.8 | 0 | 0 | 0 | 111.4 | F130 T131 H136 F143 P144 | F130-F139 CarbonylContact C-O 3.58Å; F130-F139 VanDerWaalsContact CA-O 3.28Å; F130-F139 WeakPolarHBondContact CA-O 3.28Å; T131-F139 PolarHBondContact N-O 3.13Å; T131-F139 PolarHBondContact O-N 2.84Å; H136-F139 VanDerWaalsContact O-CE2 3.31Å; H136-F139 WeakPolarHBondContact O-CE2 3.29Å; F139-F143 CarbonylContact C-O 3.51Å; F139-F143 WeakPolarHBondContact CA-O 3.26Å; F139-P144 HydrophobicContact CD1-CB 4.17Å; F139-P144 HydrophobicContact CE1-CB 4.07Å |
| 140 | R | 98.9 | Very high | 98.7 | Very high | 80 Ų | 80 | 59.5 Ų | 59.5 | 30% | 0.302 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 120.1 | 164.1 | 177.9 | -172.1 | 161.5 | 172.3 | -1 | 108.5 | E128 L129 F130 G142 F143 I145 L207 | E128-R140 IonicContact OE1-CZ 2.83Å; E128-R140 IonicContact OE1-NE 3.07Å; E128-R140 IonicContact OE1-NH1 2.59Å; E128-R140 PolarHBondContact OE1-NH1 2.77Å; E128-R140 VanDerWaalsContact OE1-NH1 3.07Å; E128-R140 IonicContact OE1-NH2 2.82Å; E128-R140 PolarHBondContact OE1-NH2 2.53Å; L129-R140 CarbonylContact O-C 3.58Å; L129-R140 WeakPolarHBondContact O-CA 3.31Å; F130-R140 HydrophobicContact CD1-CB 3.92Å; F130-R140 HydrophobicContact CD1-CG 4.2Å; F130-R140 HydrophobicContact CE1-CB 3.81Å; F130-R140 HydrophobicContact CE1-CG 3.8Å; F130-R140 HydrophobicContact CZ-CB 4.49Å; F130-R140 HydrophobicContact CZ-CG 3.97Å; R140-G142 PolarHBondContact O-N 2.99Å; R140-G142 VanDerWaalsContact O-N 3.16Å; R140-F143 PolarHBondContact N-O 2.95Å; R140-F143 PolarHBondContact O-N 2.83Å; R140-I145 HydrophobicContact CB-CG2 3.7Å; R140-L207 VanDerWaalsContact NH1-CD2 3.31Å |
| 141 | N | 98.6 | Very high | 98.7 | Very high | 75 Ų | 75 | 64.8 Ų | 64.8 | 40% | 0.401 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 38.2 | -177.9 | -65.5 | -8.4 | 0 | 0 | 0 | 112.8 | E127 L129 F143 | E127-N141 PolarHBondContact O-ND2 3.18Å; E127-N141 PolarHBondContact O-OD1 2.86Å; L129-N141 WeakPolarHBondContact CB-OD1 3.15Å; L129-N141 PolarHBondContact N-OD1 2.84Å; L129-N141 PolarHBondContact O-N 2.87Å; N141-F143 VanDerWaalsContact C-N 3.27Å; N141-F143 WeakPolarHBondContact O-CD2 3.39Å; N141-F143 PolarHBondContact O-N 3.13Å |
| 142 | G | 98.2 | Very high | 98.6 | Very high | 58 Ų | 58 | 68.6 Ų | 68.6 | 60% | 0.598 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | -5.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | R140 | R140-G142 PolarHBondContact O-N 2.99Å; R140-G142 VanDerWaalsContact O-N 3.16Å |
| 143 | F | 98.7 | Very high | 98.5 | Very high | 152 Ų | 152 | 69.4 Ų | 69.4 | 67% | 0.667 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 133.7 | 174.4 | -61.7 | -83 | 0 | 0 | 0 | 110.7 | F139 R140 N141 | F139-F143 CarbonylContact C-O 3.51Å; F139-F143 WeakPolarHBondContact CA-O 3.26Å; R140-F143 PolarHBondContact N-O 2.95Å; R140-F143 PolarHBondContact O-N 2.83Å; N141-F143 VanDerWaalsContact C-N 3.27Å; N141-F143 WeakPolarHBondContact O-CD2 3.39Å; N141-F143 PolarHBondContact O-N 3.13Å |
| 144 | P | 98.8 | Very high | 98.4 | Very high | 103 Ų | 103 | 70.6 Ų | 70.6 | 67% | 0.669 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64 | 141.9 | -179.9 | 27.1 | -34.3 | 0 | 0 | 0 | 110.9 | A138 F139 | A138-P144 WeakPolarHBondContact O-CA 3.45Å; F139-P144 HydrophobicContact CD1-CB 4.17Å; F139-P144 HydrophobicContact CE1-CB 4.07Å |
| 145 | I | 98.9 | Very high | 98.4 | Very high | 23 Ų | 23 | 69.8 Ų | 69.8 | 12% | 0.118 | 37% | 0.373 | C | S | . | . | trans | -120.4 | 158.4 | 178 | 64.4 | 177.2 | 0 | 0 | 0 | 110.8 | F130 A138 R140 A206 L207 I229 A233 | F130-I145 HydrophobicContact CD1-CD1 4.02Å; F130-I145 HydrophobicContact CE1-CD1 4.36Å; A138-I145 HydrophobicContact CB-CD1 4.03Å; A138-I145 HydrophobicContact CB-CG1 3.71Å; A138-I145 PolarHBondContact O-N 2.89Å; R140-I145 HydrophobicContact CB-CG2 3.7Å; I145-A206 HydrophobicContact CD1-CB 3.99Å; I145-L207 HydrophobicContact CB-CD1 4.21Å; I145-L207 HydrophobicContact CG2-CD1 3.55Å; I145-I229 HydrophobicContact CD1-CG2 4.45Å; I145-A233 HydrophobicContact CG1-CB 4.3Å | ||
| 146 | Q | 98.9 | Very high | 98.4 | Very high | 131 Ų | 131 | 66.6 Ų | 66.6 | 61% | 0.612 | 34% | 0.341 | S | S | * | . | trans | -145.8 | 146.3 | 175.6 | 61.8 | 178.9 | -7.7 | 0 | 0 | 110 | A206 L207 G208 A233 | Q146-A206 CarbonylContact C-O 3.58Å; Q146-L207 CarbonylContact O-C 3.57Å; Q146-G208 PolarHBondContact O-N 2.94Å; Q146-A233 WeakPolarHBondContact CA-O 3.37Å | ||
| 147 | V | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.024 | 33% | 0.327 | C | S | . | . | trans | -61.4 | 159.4 | 170.5 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | V205 A206 A233 S256 | V147-V205 WeakPolarHBondContact CG1-O 3.41Å; V147-A206 PolarHBondContact N-O 2.56Å; V147-A233 HydrophobicContact CG1-CB 4.19Å; V147-A233 PolarHBondContact N-O 2.81Å; V147-S256 WeakPolarHBondContact CG2-O 3.13Å | ||
| 148 | S | 98.8 | Very high | 98.4 | Very high | 22 Ų | 22 | 62.4 Ų | 62.4 | 15% | 0.154 | 32% | 0.317 | C | S | . | . | trans | -63.5 | 177.5 | 170 | 82.6 | 0 | 0 | 0 | 0 | 111.4 | T150 D211 S256 | S148-T150 PolarHBondContact OG-N 3.13Å; S148-T150 PolarHBondContact OG-OG1 2.8Å; S148-D211 VanDerWaalsContact CB-OD1 3.32Å; S148-D211 WeakPolarHBondContact CB-OD1 2.87Å; S148-D211 PolarHBondContact OG-OD1 2.71Å; S148-S256 WeakPolarHBondContact O-CB 3.42Å; S148-S256 WeakPolarHBondContact OG-CB 3.46Å; S148-S256 PolarHBondContact OG-OG 3.38Å | ||
| 149 | K | 98.7 | Very high | 98.4 | Very high | 143 Ų | 143 | 62.4 Ų | 62.4 | 62% | 0.622 | 32% | 0.316 | S | S | * | . | trans | -111.4 | 21.3 | 174.7 | -55.7 | -59.4 | 175 | -156 | 0 | 112.2 | K151 | K149-K151 PolarHBondContact O-N 3.39Š| ||
| 150 | T | 98.7 | Very high | 98.3 | Very high | 28 Ų | 28 | 59.7 Ų | 59.7 | 17% | 0.172 | 31% | 0.305 | C | S | . | . | trans | -70.2 | 122.2 | -175.4 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | S148 K155 A156 D211 S256 T257 | S148-T150 PolarHBondContact OG-N 3.13Å; S148-T150 PolarHBondContact OG-OG1 2.8Å; T150-K155 HydrophobicContact CG2-CB 4.07Å; T150-A156 HydrophobicContact CG2-CB 3.95Å; T150-D211 WeakPolarHBondContact CB-OD1 3.45Å; T150-D211 HydrophobicContact CG2-CB 4.35Å; T150-D211 PolarHBondContact OG1-OD1 3.21Å; T150-S256 PolarHBondContact O-OG 3.4Å; T150-T257 WeakPolarHBondContact O-CG2 3.1Å; T150-T257 PolarHBondContact O-OG1 3.35Å | ||
| 151 | K | 98.3 | Very high | 97.9 | Very high | 110 Ų | 110 | 57 Ų | 57 | 48% | 0.478 | 30% | 0.297 | S | S | . | . | trans | -105.3 | -28.1 | -179 | -61.6 | -175.6 | 177.7 | -148.9 | 0 | 113.6 | K149 T257 E259 | K149-K151 PolarHBondContact O-N 3.39Å; K151-T257 HydrophobicContact CG-CG2 4.18Å; K151-E259 HydrophobicContact CB-CB 3.96Å; K151-E259 HydrophobicContact CD-CG 4.33Å; K151-E259 WeakPolarHBondContact CD-OE1 3.42Å; K151-E259 VanDerWaalsContact CE-OE1 3.26Å; K151-E259 WeakPolarHBondContact CE-OE1 3.23Å; K151-E259 HydrophobicContact CG-CB 4.32Å; K151-E259 HydrophobicContact CG-CG 4.5Å; K151-E259 IonicContact NZ-OE1 2.78Å; K151-E259 PolarHBondContact NZ-OE1 3.01Å | ||
| 152 | E | 97.6 | Very high | 97.4 | Very high | 89 Ų | 89 | 57.8 Ų | 57.8 | 42% | 0.416 | 30% | 0.297 | S | S | . | . | trans | -103.9 | 129.3 | -168.5 | -61.2 | 156.9 | -138.3 | 0 | 0 | 109.9 | N154 K155 A156 | E152-N154 VanDerWaalsContact C-N 3.26Å; E152-N154 WeakPolarHBondContact CB-OD1 3.38Å; E152-N154 PolarHBondContact O-N 2.94Å; E152-K155 HydrophobicContact CB-CB 4.43Å; E152-K155 HydrophobicContact CB-CD 4.31Å; E152-K155 HydrophobicContact CB-CG 4.39Å; E152-K155 PolarHBondContact O-N 3.23Å; E152-K155 IonicContact OE1-NZ 3.75Å; E152-K155 PolarHBondContact OE1-NZ 3.24Å; E152-K155 WeakPolarHBondContact OE2-CD 3.44Å; E152-K155 WeakPolarHBondContact OE2-CE 3.4Å; E152-K155 IonicContact OE2-NZ 2.72Å; E152-K155 PolarHBondContact OE2-NZ 3.09Å; E152-A156 PolarHBondContact O-N 3.45Å | ||
| 153 | L | 97 | Very high | 96.6 | Very high | 18 Ų | 18 | 55 Ų | 55 | 9% | 0.094 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -57.1 | -39 | -176.9 | -174.9 | 60.2 | 0 | 0 | 0 | 112.4 | K155 A156 L158 K187 I189 L260 A263 I264 V267 | L153-K155 PolarHBondContact O-N 3.1Å; L153-A156 WeakPolarHBondContact O-CB 3.41Å; L153-A156 PolarHBondContact O-N 2.68Å; L153-A156 VanDerWaalsContact O-N 3.09Å; L153-L158 HydrophobicContact CD1-CD1 4.28Å; L153-L158 HydrophobicContact CD1-CD2 4.13Å; L153-K187 HydrophobicContact CD2-CB 3.58Å; L153-K187 HydrophobicContact CD2-CG 4Å; L153-K187 HydrophobicContact CG-CB 4.34Å; L153-I189 HydrophobicContact CD1-CG2 3.71Å; L153-I189 HydrophobicContact CG-CG2 3.92Å; L153-I189 WeakPolarHBondContact O-CA 3.28Å; L153-L260 HydrophobicContact CB-CD1 4.45Å; L153-L260 HydrophobicContact CD1-CD1 4.13Å; L153-A263 HydrophobicContact CB-CB 4.25Å; L153-I264 HydrophobicContact CD1-CG1 3.87Å; L153-V267 HydrophobicContact CD2-CG2 4.27Å |
| 154 | N | 97.1 | Very high | 95.8 | Very high | 87 Ų | 87 | 51.5 Ų | 51.5 | 47% | 0.465 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -71.8 | -8 | 179.5 | 69.6 | -14.6 | 0 | 0 | 0 | 114.7 | E152 G188 | E152-N154 VanDerWaalsContact C-N 3.26Å; E152-N154 WeakPolarHBondContact CB-OD1 3.38Å; E152-N154 PolarHBondContact O-N 2.94Å; N154-G188 CarbonylContact C-O 3.57Å; N154-G188 WeakPolarHBondContact CA-O 3.4Å; N154-G188 WeakPolarHBondContact CB-O 3.32Å |
| 155 | K | 97.9 | Very high | 94.8 | Very high | 88 Ų | 88 | 50.6 Ų | 50.6 | 38% | 0.383 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -103.1 | -4 | 172.9 | -69 | 179 | -178.1 | 158.6 | 0 | 112.4 | T150 E152 L153 R190 | T150-K155 HydrophobicContact CG2-CB 4.07Å; E152-K155 HydrophobicContact CB-CB 4.43Å; E152-K155 HydrophobicContact CB-CD 4.31Å; E152-K155 HydrophobicContact CB-CG 4.39Å; E152-K155 PolarHBondContact O-N 3.23Å; E152-K155 IonicContact OE1-NZ 3.75Å; E152-K155 PolarHBondContact OE1-NZ 3.24Å; E152-K155 WeakPolarHBondContact OE2-CD 3.44Å; E152-K155 WeakPolarHBondContact OE2-CE 3.4Å; E152-K155 IonicContact OE2-NZ 2.72Å; E152-K155 PolarHBondContact OE2-NZ 3.09Å; L153-K155 PolarHBondContact O-N 3.1Å; K155-R190 WeakPolarHBondContact O-CD 3.34Å; K155-R190 PolarHBondContact O-NE 3.21Å |
| 156 | A | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -91.5 | 143.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T150 E152 L153 L158 R190 D211 L260 | T150-A156 HydrophobicContact CG2-CB 3.95Å; E152-A156 PolarHBondContact O-N 3.45Å; L153-A156 WeakPolarHBondContact O-CB 3.41Å; L153-A156 PolarHBondContact O-N 2.68Å; L153-A156 VanDerWaalsContact O-N 3.09Å; A156-L158 HydrophobicContact CB-CD1 3.42Å; A156-L158 VanDerWaalsContact CB-CD1 3.42Å; A156-R190 PolarHBondContact O-N 2.88Å; A156-D211 VanDerWaalsContact CA-OD2 3.27Å; A156-D211 WeakPolarHBondContact CA-OD2 3.47Å; A156-D211 HydrophobicContact CB-CB 3.87Å; A156-L260 HydrophobicContact CB-CD1 4.01Å; A156-L260 HydrophobicContact CB-CD2 4.17Å | ||
| 157 | L | 98.8 | Very high | 93.1 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 19% | 0.194 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 118.4 | 162.9 | -178.8 | 74.7 | 0 | 0 | 0 | 108.6 | R193 C209 D211 | L157-R193 HydrophobicContact CD1-CG 4.4Å; L157-C209 WeakPolarHBondContact CD2-O 3.26Å; L157-D211 PolarHBondContact N-OD2 2.67Å; L157-D211 PolarHBondContact O-N 2.87Å |
| 158 | L | 98.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 141.7 | -176.2 | -86.7 | 63.3 | 0 | 0 | 0 | 111.8 | L153 A156 L160 I184 I189 G191 H192 R193 A212 I264 | L153-L158 HydrophobicContact CD1-CD1 4.28Å; L153-L158 HydrophobicContact CD1-CD2 4.13Å; A156-L158 HydrophobicContact CB-CD1 3.42Å; A156-L158 VanDerWaalsContact CB-CD1 3.42Å; L158-L160 HydrophobicContact CB-CD1 4.23Å; L158-L160 HydrophobicContact CB-CD2 4.22Å; L158-L160 HydrophobicContact CB-CG 4.01Å; L158-L160 HydrophobicContact CD2-CD2 4.33Å; L158-I184 HydrophobicContact CD2-CD1 4.35Å; L158-I184 HydrophobicContact CD2-CG2 3.53Å; L158-I189 HydrophobicContact CD1-CG2 4.12Å; L158-I189 HydrophobicContact CD2-CG2 4.32Å; L158-G191 PolarHBondContact N-O 3.15Å; L158-H192 CarbonylContact O-C 3.37Å; L158-H192 WeakPolarHBondContact O-CA 3.38Å; L158-R193 PolarHBondContact O-N 3.27Å; L158-A212 CarbonylContact C-O 3.55Å; L158-A212 WeakPolarHBondContact CA-O 3.37Å; L158-A212 HydrophobicContact CD1-CB 4.4Å; L158-A212 HydrophobicContact CG-CB 4.1Å; L158-I264 HydrophobicContact CD2-CD1 4.08Å; L158-I264 HydrophobicContact CD2-CG1 4.39Å |
| 159 | L | 98.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 120.6 | 165.9 | -52.3 | -177.9 | 0 | 0 | 0 | 107.4 | R193 F195 N201 V205 A210 A212 Y213 L214 | L159-R193 WeakPolarHBondContact CA-O 3.44Å; L159-R193 HydrophobicContact CD2-CB 3.65Å; L159-R193 HydrophobicContact CD2-CG 4.27Å; L159-F195 HydrophobicContact CD2-CD2 4.07Å; L159-F195 HydrophobicContact CD2-CE2 3.67Å; L159-N201 HydrophobicContact CB-CB 4.29Å; L159-N201 VanDerWaalsContact CD1-CA 3.5Å; L159-N201 HydrophobicContact CD1-CB 3.64Å; L159-N201 WeakPolarHBondContact CD1-O 3.37Å; L159-V205 HydrophobicContact CD1-CG2 4.29Å; L159-A210 HydrophobicContact CD1-CB 3.81Å; L159-A210 HydrophobicContact CD2-CB 3.88Å; L159-A210 HydrophobicContact CG-CB 3.67Å; L159-A212 PolarHBondContact N-O 3.04Å; L159-Y213 HydrophobicContact CB-CD2 3.76Å; L159-Y213 HydrophobicContact CB-CG 4.31Å; L159-Y213 WeakPolarHBondContact O-CA 3.37Å; L159-Y213 WeakPolarHBondContact O-CD2 3.36Å; L159-L214 PolarHBondContact O-N 2.87Å |
| 160 | L | 95.7 | Very high | 90.5 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | trans | -133 | 160.5 | -174.2 | -59.4 | 173.3 | 0 | 0 | 0 | 109.4 | L158 N181 I184 H192 R193 S194 L214 | L158-L160 HydrophobicContact CB-CD1 4.23Å; L158-L160 HydrophobicContact CB-CD2 4.22Å; L158-L160 HydrophobicContact CB-CG 4.01Å; L158-L160 HydrophobicContact CD2-CD2 4.33Å; L160-N181 WeakPolarHBondContact CD1-OD1 3.25Å; L160-I184 HydrophobicContact CD1-CD1 4.47Å; L160-I184 HydrophobicContact CD1-CG2 4.34Å; L160-I184 HydrophobicContact CD2-CD1 4.05Å; L160-H192 HydrophobicContact CD1-CB 3.87Å; L160-H192 HydrophobicContact CG-CB 4.39Å; L160-R193 PolarHBondContact N-O 3.04Å; L160-S194 VanDerWaalsContact O-CB 3.32Å; L160-S194 WeakPolarHBondContact O-CB 3.41Å; L160-S194 PolarHBondContact O-OG 2.79Å; L160-L214 HydrophobicContact CD2-CB 4.11Å | ||
| 161 | T | 91.5 | Very high | 89.7 | Confident | 22 Ų | 22 | 55 Ų | 55 | 14% | 0.135 | 28% | 0.279 | C | S | . | . | trans | -125.4 | 162.9 | 173.7 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | G163 Y177 N181 E215 | T161-G163 PolarHBondContact OG1-N 3.33Å; T161-G163 VanDerWaalsContact OG1-N 3.09Å; T161-Y177 HydrophobicContact CG2-CD1 4.06Å; T161-Y177 HydrophobicContact CG2-CE1 3.55Å; T161-N181 PolarHBondContact O-ND2 2.69Å; T161-E215 WeakPolarHBondContact CB-OE1 2.88Å; T161-E215 HydrophobicContact CG2-CB 4.06Å; T161-E215 HydrophobicContact CG2-CG 3.38Å; T161-E215 VanDerWaalsContact CG2-OE1 3.25Å; T161-E215 WeakPolarHBondContact CG2-OE1 3.2Å; T161-E215 PolarHBondContact OG1-OE1 3.21Å | ||
| 162 | F | 87.6 | Confident | 89.2 | Confident | 92 Ų | 92 | 54.8 Ų | 54.8 | 40% | 0.404 | 28% | 0.283 | S | S | . | . | trans | -96 | -0.3 | 167.7 | -68.5 | -78.7 | 0 | 0 | 0 | 112.6 | V164 L178 | F162-V164 VanDerWaalsContact C-N 3.32Å; F162-V164 HydrophobicContact CB-CG2 4.34Å; F162-V164 PolarHBondContact O-N 3.19Å; F162-L178 HydrophobicContact CD1-CD2 3.8Å; F162-L178 HydrophobicContact CE1-CD2 4.1Å | ||
| 163 | G | 81.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | 62.6 | 37.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T161 Q165 N166 R167 | T161-G163 PolarHBondContact OG1-N 3.33Å; T161-G163 VanDerWaalsContact OG1-N 3.09Å; G163-Q165 VanDerWaalsContact C-N 3.31Å; G163-Q165 PolarHBondContact O-N 3.04Å; G163-N166 CarbonylContact O-C 3.53Å; G163-N166 WeakPolarHBondContact O-CA 3.42Å; G163-N166 PolarHBondContact O-N 3.01Å; G163-R167 PolarHBondContact O-N 3.24Å | ||
| 164 | V | 82.3 | Confident | 88.6 | Confident | 79 Ų | 79 | 53.4 Ų | 53.4 | 48% | 0.479 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -44.4 | -176.9 | 175.6 | 0 | 0 | 0 | 0 | 111 | F162 N166 R167 | F162-V164 VanDerWaalsContact C-N 3.32Å; F162-V164 HydrophobicContact CB-CG2 4.34Å; F162-V164 PolarHBondContact O-N 3.19Å; V164-N166 PolarHBondContact O-N 2.95Å; V164-R167 WeakPolarHBondContact O-CG 3.44Å; V164-R167 PolarHBondContact O-NH1 3.35Å |
| 165 | Q | 78.1 | Confident | 88.3 | Confident | 84 Ų | 84 | 53.7 Ų | 53.7 | 39% | 0.393 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -26.6 | 174.8 | 71.3 | -83.2 | 17.2 | 0 | 0 | 112.2 | G163 E215 | G163-Q165 VanDerWaalsContact C-N 3.31Å; G163-Q165 PolarHBondContact O-N 3.04Å; Q165-E215 PolarHBondContact NE2-OE1 2.99Å |
| 166 | N | 79.5 | Confident | 88.1 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.053 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 4.9 | -173.5 | -63.7 | -36.2 | 0 | 0 | 0 | 114.9 | G163 V164 F168 C169 A173 Y177 F216 G217 | G163-N166 CarbonylContact O-C 3.53Å; G163-N166 WeakPolarHBondContact O-CA 3.42Å; G163-N166 PolarHBondContact O-N 3.01Å; V164-N166 PolarHBondContact O-N 2.95Å; N166-F168 PolarHBondContact O-N 3.31Å; N166-F168 VanDerWaalsContact O-N 3.08Å; N166-C169 WeakPolarHBondContact CA-SG 3.42Å; N166-C169 WeakPolarHBondContact O-CB 3.49Å; N166-C169 PolarHBondContact O-N 2.69Å; N166-C169 PolarHBondContact O-SG 3.2Å; N166-C169 PolarHBondContact OD1-SG 3.41Å; N166-A173 WeakPolarHBondContact O-CB 3.23Å; N166-Y177 HydrophobicContact CB-CE2 4.14Å; N166-Y177 PolarHBondContact ND2-OH 3.18Å; N166-F216 PolarHBondContact ND2-O 3.37Å; N166-G217 WeakPolarHBondContact ND2-CA 3.39Å; N166-G217 PolarHBondContact OD1-O 3.07Å |
| 167 | R | 80.9 | Confident | 87.9 | Confident | 86 Ų | 86 | 51.2 Ų | 51.2 | 33% | 0.325 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -19.1 | -177.3 | 72.9 | -176.9 | -178.7 | -93.6 | 4.2 | 113.8 | G163 V164 | G163-R167 PolarHBondContact O-N 3.24Å; V164-R167 WeakPolarHBondContact O-CG 3.44Å; V164-R167 PolarHBondContact O-NH1 3.35Å |
| 168 | F | 80.1 | Confident | 87.7 | Confident | 138 Ų | 138 | 53 Ų | 53 | 61% | 0.605 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -4.3 | 179.1 | -54.8 | -64.7 | 0 | 0 | 0 | 113.5 | N166 A170 | N166-F168 PolarHBondContact O-N 3.31Å; N166-F168 VanDerWaalsContact O-N 3.08Å; F168-A170 VanDerWaalsContact C-N 3.31Å; F168-A170 PolarHBondContact O-N 3.09Å |
| 169 | C | 78.7 | Confident | 87.5 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 37% | 0.365 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -73 | -25.2 | -175.8 | -52.4 | 0 | 0 | 0 | 0 | 113.2 | N166 L273 | N166-C169 WeakPolarHBondContact CA-SG 3.42Å; N166-C169 WeakPolarHBondContact O-CB 3.49Å; N166-C169 PolarHBondContact O-N 2.69Å; N166-C169 PolarHBondContact O-SG 3.2Å; N166-C169 PolarHBondContact OD1-SG 3.41Å; C169-L273 HydrophobicContact CB-CD2 3.51Å |
| 170 | A | 82.7 | Confident | 87.4 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 17% | 0.174 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -151.2 | 150.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.3 | F168 N172 A173 I271 | F168-A170 VanDerWaalsContact C-N 3.31Å; F168-A170 PolarHBondContact O-N 3.09Å; A170-N172 PolarHBondContact O-N 2.99Å; A170-A173 HydrophobicContact CB-CB 4.19Å; A170-A173 WeakPolarHBondContact O-CB 3.12Å; A170-A173 PolarHBondContact O-N 3.24Å; A170-A173 VanDerWaalsContact O-N 3.1Å; A170-I271 HydrophobicContact CB-CG2 3.93Å |
| 171 | P | 83.9 | Confident | 87.5 | Confident | 134 Ų | 134 | 57.1 Ų | 57.1 | 87% | 0.87 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -33.3 | -175.4 | -28.8 | 35 | 0 | 0 | 0 | 115.1 | ||
| 172 | N | 87.4 | Confident | 87.7 | Confident | 106 Ų | 106 | 61.6 Ų | 61.6 | 57% | 0.567 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | 17.4 | -176.3 | -58.8 | -20.9 | 0 | 0 | 0 | 112.6 | A170 L174 D175 V176 | A170-N172 PolarHBondContact O-N 2.99Å; N172-L174 VanDerWaalsContact C-N 3.34Å; N172-L174 PolarHBondContact O-N 2.92Å; N172-D175 PolarHBondContact O-N 2.74Å; N172-V176 WeakPolarHBondContact O-CG2 3.27Å; N172-V176 PolarHBondContact O-N 3.05Å |
| 173 | A | 90.1 | Very high | 88.2 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 2% | 0.017 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -54.8 | -49 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N166 A170 D175 V176 Y177 I271 | N166-A173 WeakPolarHBondContact O-CB 3.23Å; A170-A173 HydrophobicContact CB-CB 4.19Å; A170-A173 WeakPolarHBondContact O-CB 3.12Å; A170-A173 PolarHBondContact O-N 3.24Å; A170-A173 VanDerWaalsContact O-N 3.1Å; A173-D175 PolarHBondContact O-N 2.9Å; A173-V176 PolarHBondContact O-N 2.8Å; A173-Y177 WeakPolarHBondContact O-CD2 3.3Å; A173-Y177 PolarHBondContact O-N 2.8Å; A173-I271 HydrophobicContact CB-CD1 4.27Å |
| 174 | L | 90.5 | Very high | 88.9 | Confident | 76 Ų | 76 | 61.1 Ų | 61.1 | 40% | 0.398 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60 | -43.2 | -179.3 | -179.1 | 60.1 | 0 | 0 | 0 | 112.4 | N172 V176 Y177 L178 | N172-L174 VanDerWaalsContact C-N 3.34Å; N172-L174 PolarHBondContact O-N 2.92Å; L174-V176 VanDerWaalsContact C-N 3.32Å; L174-V176 PolarHBondContact O-N 2.91Å; L174-Y177 PolarHBondContact O-N 3.17Å; L174-L178 HydrophobicContact CD1-CD1 4.09Å; L174-L178 HydrophobicContact CD1-CG 4.16Å; L174-L178 HydrophobicContact CG-CD1 4Å; L174-L178 HydrophobicContact CG-CG 4.46Å; L174-L178 WeakPolarHBondContact O-CG 3.4Å; L174-L178 PolarHBondContact O-N 2.5Å |
| 175 | D | 92.3 | Very high | 89.6 | Confident | 93 Ų | 93 | 61 Ų | 61 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 177.7 | -71.5 | -30.6 | 0 | 0 | 0 | 111.4 | N172 A173 L178 N179 | N172-D175 PolarHBondContact O-N 2.74Å; A173-D175 PolarHBondContact O-N 2.9Å; D175-L178 PolarHBondContact O-N 3.49Å; D175-N179 WeakPolarHBondContact O-CB 3.45Å; D175-N179 VanDerWaalsContact O-CG 3.24Å; D175-N179 PolarHBondContact O-N 3.35Å; D175-N179 PolarHBondContact O-ND2 3.24Å |
| 176 | V | 93.4 | Very high | 90.5 | Very high | 27 Ų | 27 | 63.3 Ų | 63.3 | 16% | 0.164 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 176 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | N172 A173 L174 N179 N180 D269 I271 | N172-V176 WeakPolarHBondContact O-CG2 3.27Å; N172-V176 PolarHBondContact O-N 3.05Å; A173-V176 PolarHBondContact O-N 2.8Å; L174-V176 VanDerWaalsContact C-N 3.32Å; L174-V176 PolarHBondContact O-N 2.91Å; V176-N179 PolarHBondContact O-N 2.91Å; V176-N180 VanDerWaalsContact O-CB 3.25Å; V176-N180 WeakPolarHBondContact O-CB 3.46Å; V176-N180 PolarHBondContact O-N 2.78Å; V176-N180 PolarHBondContact O-ND2 2.9Å; V176-D269 HydrophobicContact CG1-CB 4.16Å; V176-I271 HydrophobicContact CB-CD1 4Å; V176-I271 HydrophobicContact CB-CG1 3.77Å; V176-I271 HydrophobicContact CG1-CD1 3.97Å; V176-I271 HydrophobicContact CG1-CG1 3.44Å; V176-I271 VanDerWaalsContact CG1-CG1 3.44Å; V176-I271 HydrophobicContact CG2-CG1 4.3Å |
| 177 | Y | 94 | Very high | 91.2 | Very high | 9 Ų | 9 | 69 Ų | 69 | 4% | 0.035 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58 | -51.5 | 174.5 | -80.5 | -72.8 | 0 | 0 | 0 | 112.2 | T161 N166 A173 L174 N179 N180 N181 F216 I271 | T161-Y177 HydrophobicContact CG2-CD1 4.06Å; T161-Y177 HydrophobicContact CG2-CE1 3.55Å; N166-Y177 HydrophobicContact CB-CE2 4.14Å; N166-Y177 PolarHBondContact ND2-OH 3.18Å; A173-Y177 WeakPolarHBondContact O-CD2 3.3Å; A173-Y177 PolarHBondContact O-N 2.8Å; L174-Y177 PolarHBondContact O-N 3.17Å; Y177-N179 PolarHBondContact O-N 3.19Å; Y177-N180 PolarHBondContact O-N 2.91Å; Y177-N181 WeakPolarHBondContact O-CB 3.13Å; Y177-N181 VanDerWaalsContact O-CG 3.32Å; Y177-N181 PolarHBondContact O-N 3.39Å; Y177-N181 PolarHBondContact O-ND2 2.88Å; Y177-F216 HydrophobicContact CD1-CD2 4.48Å; Y177-F216 HydrophobicContact CE1-CB 4.4Å; Y177-F216 AromaticContact CE1-CD2 3.85Å; Y177-F216 HydrophobicContact CE1-CD2 3.85Å; Y177-F216 WeakPolarHBondContact OH-CB 3.44Å; Y177-F216 PolarHBondContact OH-N 3.17Å; Y177-F216 PolarHBondContact OH-O 2.87Å; Y177-I271 HydrophobicContact CD2-CD1 3.94Å; Y177-I271 HydrophobicContact CE2-CD1 3.62Å |
| 178 | L | 94 | Very high | 92 | Very high | 75 Ų | 75 | 66.8 Ų | 66.8 | 39% | 0.393 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | -177.9 | -69.3 | 174.3 | 0 | 0 | 0 | 111.8 | F162 L174 D175 N181 K182 | F162-L178 HydrophobicContact CD1-CD2 3.8Å; F162-L178 HydrophobicContact CE1-CD2 4.1Å; L174-L178 HydrophobicContact CD1-CD1 4.09Å; L174-L178 HydrophobicContact CD1-CG 4.16Å; L174-L178 HydrophobicContact CG-CD1 4Å; L174-L178 HydrophobicContact CG-CG 4.46Å; L174-L178 WeakPolarHBondContact O-CG 3.4Å; L174-L178 PolarHBondContact O-N 2.5Å; D175-L178 PolarHBondContact O-N 3.49Å; L178-N181 PolarHBondContact O-N 3.41Å; L178-K182 VanDerWaalsContact O-CB 3.32Å; L178-K182 WeakPolarHBondContact O-CB 3.49Å; L178-K182 PolarHBondContact O-N 2.95Å |
| 179 | N | 95.7 | Very high | 92.8 | Very high | 68 Ų | 68 | 61.2 Ų | 61.2 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.4 | -38.7 | 178.5 | -73.8 | -43.5 | 0 | 0 | 0 | 112.2 | D175 V176 Y177 K182 R183 | D175-N179 WeakPolarHBondContact O-CB 3.45Å; D175-N179 VanDerWaalsContact O-CG 3.24Å; D175-N179 PolarHBondContact O-N 3.35Å; D175-N179 PolarHBondContact O-ND2 3.24Å; V176-N179 PolarHBondContact O-N 2.91Å; Y177-N179 PolarHBondContact O-N 3.19Å; N179-K182 PolarHBondContact O-N 3.37Å; N179-R183 WeakPolarHBondContact O-CB 3.41Å; N179-R183 VanDerWaalsContact O-CG 3.23Å; N179-R183 WeakPolarHBondContact O-CG 3.29Å; N179-R183 PolarHBondContact O-N 3.46Å |
| 180 | N | 96.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.7 | -48.7 | 173.4 | -75.8 | -12.1 | 0 | 0 | 0 | 111.4 | V176 Y177 K182 R183 I184 I268 D269 | V176-N180 VanDerWaalsContact O-CB 3.25Å; V176-N180 WeakPolarHBondContact O-CB 3.46Å; V176-N180 PolarHBondContact O-N 2.78Å; V176-N180 PolarHBondContact O-ND2 2.9Å; Y177-N180 PolarHBondContact O-N 2.91Å; N180-K182 VanDerWaalsContact C-N 3.3Å; N180-K182 PolarHBondContact O-N 2.74Å; N180-R183 PolarHBondContact O-N 2.88Å; N180-R183 PolarHBondContact OD1-NH1 2.9Å; N180-I184 WeakPolarHBondContact O-CB 3.35Å; N180-I184 VanDerWaalsContact O-CG1 3.23Å; N180-I184 WeakPolarHBondContact O-CG1 3.38Å; N180-I184 PolarHBondContact O-N 3.08Å; N180-I268 HydrophobicContact CB-CB 4.48Å; N180-I268 HydrophobicContact CB-CG2 4.24Å; N180-I268 WeakPolarHBondContact OD1-CA 3.43Å; N180-D269 PolarHBondContact ND2-O 3.05Å; N180-D269 PolarHBondContact OD1-N 2.93Å |
| 181 | N | 96 | Very high | 94.4 | Very high | 20 Ų | 20 | 67.2 Ų | 67.2 | 11% | 0.107 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.8 | -45.2 | 175.7 | -75.3 | -31.5 | 0 | 0 | 0 | 111.3 | L160 T161 Y177 L178 I184 V185 | L160-N181 WeakPolarHBondContact CD1-OD1 3.25Å; T161-N181 PolarHBondContact O-ND2 2.69Å; Y177-N181 WeakPolarHBondContact O-CB 3.13Å; Y177-N181 VanDerWaalsContact O-CG 3.32Å; Y177-N181 PolarHBondContact O-N 3.39Å; Y177-N181 PolarHBondContact O-ND2 2.88Å; L178-N181 PolarHBondContact O-N 3.41Å; N181-I184 PolarHBondContact O-N 2.6Å; N181-V185 WeakPolarHBondContact O-CB 3.29Å; N181-V185 VanDerWaalsContact O-CG2 3.25Å; N181-V185 WeakPolarHBondContact O-CG2 3.33Å; N181-V185 PolarHBondContact O-N 3.15Å |
| 182 | K | 96.7 | Very high | 95 | Very high | 116 Ų | 116 | 64.7 Ų | 64.7 | 50% | 0.504 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.6 | -54.5 | 175.3 | 177.3 | -177.9 | 172.4 | -176.8 | 0 | 111.8 | L178 N179 N180 I184 V185 E186 | L178-K182 VanDerWaalsContact O-CB 3.32Å; L178-K182 WeakPolarHBondContact O-CB 3.49Å; L178-K182 PolarHBondContact O-N 2.95Å; N179-K182 PolarHBondContact O-N 3.37Å; N180-K182 VanDerWaalsContact C-N 3.3Å; N180-K182 PolarHBondContact O-N 2.74Å; K182-I184 VanDerWaalsContact C-N 3.32Å; K182-I184 PolarHBondContact O-N 3.04Å; K182-V185 PolarHBondContact O-N 3.36Å; K182-V185 VanDerWaalsContact O-N 3.17Å; K182-E186 WeakPolarHBondContact CE-OE1 3.47Å; K182-E186 HydrophobicContact CG-CG 4.31Å; K182-E186 IonicContact NZ-OE1 3.87Å; K182-E186 WeakPolarHBondContact O-CB 3.26Å; K182-E186 WeakPolarHBondContact O-CG 3.43Å; K182-E186 PolarHBondContact O-N 2.97Å |
| 183 | R | 97.2 | Very high | 95.4 | Very high | 81 Ų | 81 | 65.4 Ų | 65.4 | 31% | 0.306 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.8 | -42.6 | -177.7 | -70.4 | 171.8 | -169.2 | 138.2 | -10.4 | 111.9 | N179 N180 E186 K187 V267 D269 | N179-R183 WeakPolarHBondContact O-CB 3.41Å; N179-R183 VanDerWaalsContact O-CG 3.23Å; N179-R183 WeakPolarHBondContact O-CG 3.29Å; N179-R183 PolarHBondContact O-N 3.46Å; N180-R183 PolarHBondContact O-N 2.88Å; N180-R183 PolarHBondContact OD1-NH1 2.9Å; R183-E186 PolarHBondContact O-N 3.19Å; R183-K187 WeakPolarHBondContact O-CG 3.41Å; R183-K187 PolarHBondContact O-N 3.05Å; R183-K187 VanDerWaalsContact O-N 3.11Å; R183-V267 HydrophobicContact CB-CG1 3.62Å; R183-V267 WeakPolarHBondContact CD-O 3.43Å; R183-D269 IonicContact CZ-OD2 3.37Å; R183-D269 IonicContact NH1-OD1 3.94Å; R183-D269 IonicContact NH1-OD2 3.04Å; R183-D269 PolarHBondContact NH1-OD2 3.38Å; R183-D269 IonicContact NH2-OD2 2.71Å; R183-D269 PolarHBondContact NH2-OD2 3.08Å |
| 184 | I | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.8 | -47 | 176.7 | -68.6 | 170.6 | 0 | 0 | 0 | 110.3 | L158 L160 N180 N181 K182 E186 K187 I189 L214 V267 I268 | L158-I184 HydrophobicContact CD2-CD1 4.35Å; L158-I184 HydrophobicContact CD2-CG2 3.53Å; L160-I184 HydrophobicContact CD1-CD1 4.47Å; L160-I184 HydrophobicContact CD1-CG2 4.34Å; L160-I184 HydrophobicContact CD2-CD1 4.05Å; N180-I184 WeakPolarHBondContact O-CB 3.35Å; N180-I184 VanDerWaalsContact O-CG1 3.23Å; N180-I184 WeakPolarHBondContact O-CG1 3.38Å; N180-I184 PolarHBondContact O-N 3.08Å; N181-I184 PolarHBondContact O-N 2.6Å; K182-I184 VanDerWaalsContact C-N 3.32Å; K182-I184 PolarHBondContact O-N 3.04Å; I184-E186 PolarHBondContact O-N 3.24Å; I184-K187 WeakPolarHBondContact O-CB 3.16Å; I184-K187 PolarHBondContact O-N 3.32Å; I184-I189 HydrophobicContact CG2-CD1 3.96Å; I184-I189 HydrophobicContact CG2-CG2 3.58Å; I184-L214 HydrophobicContact CD1-CD2 4.1Å; I184-V267 HydrophobicContact CG1-CG1 4.31Å; I184-I268 HydrophobicContact CD1-CG2 3.82Å; I184-I268 HydrophobicContact CG1-CG2 4.07Å |
| 185 | V | 96.2 | Very high | 96 | Very high | 77 Ų | 77 | 66.9 Ų | 66.9 | 47% | 0.467 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 178.2 | 170 | 0 | 0 | 0 | 0 | 111.5 | N181 K182 K187 G188 I189 | N181-V185 WeakPolarHBondContact O-CB 3.29Å; N181-V185 VanDerWaalsContact O-CG2 3.25Å; N181-V185 WeakPolarHBondContact O-CG2 3.33Å; N181-V185 PolarHBondContact O-N 3.15Å; K182-V185 PolarHBondContact O-N 3.36Å; K182-V185 VanDerWaalsContact O-N 3.17Å; V185-K187 PolarHBondContact O-N 3.13Å; V185-G188 PolarHBondContact O-N 2.85Å; V185-I189 HydrophobicContact CG2-CD1 4.21Å |
| 186 | E | 97.1 | Very high | 96.1 | Very high | 133 Ų | 133 | 64.7 Ų | 64.7 | 62% | 0.621 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.9 | -23.5 | 177 | -73.5 | 176.4 | 158.3 | 0 | 0 | 113 | K182 R183 I184 G188 | K182-E186 WeakPolarHBondContact CE-OE1 3.47Å; K182-E186 HydrophobicContact CG-CG 4.31Å; K182-E186 IonicContact NZ-OE1 3.87Å; K182-E186 WeakPolarHBondContact O-CB 3.26Å; K182-E186 WeakPolarHBondContact O-CG 3.43Å; K182-E186 PolarHBondContact O-N 2.97Å; R183-E186 PolarHBondContact O-N 3.19Å; I184-E186 PolarHBondContact O-N 3.24Å; E186-G188 PolarHBondContact O-N 3.32Å |
| 187 | K | 95.8 | Very high | 96.3 | Very high | 130 Ų | 130 | 63.5 Ų | 63.5 | 57% | 0.565 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -4.5 | 171.1 | -69.4 | -69.6 | -176.2 | 178.5 | 0 | 114 | L153 R183 I184 V185 V267 | L153-K187 HydrophobicContact CD2-CB 3.58Å; L153-K187 HydrophobicContact CD2-CG 4Å; L153-K187 HydrophobicContact CG-CB 4.34Å; R183-K187 WeakPolarHBondContact O-CG 3.41Å; R183-K187 PolarHBondContact O-N 3.05Å; R183-K187 VanDerWaalsContact O-N 3.11Å; I184-K187 WeakPolarHBondContact O-CB 3.16Å; I184-K187 PolarHBondContact O-N 3.32Å; V185-K187 PolarHBondContact O-N 3.13Å; K187-V267 HydrophobicContact CD-CG2 4.43Å; K187-V267 HydrophobicContact CG-CG1 3.97Å; K187-V267 HydrophobicContact CG-CG2 4.07Å |
| 188 | G | 96 | Very high | 96.5 | Very high | 39 Ų | 39 | 63.3 Ų | 63.3 | 40% | 0.402 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 34.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115 | N154 V185 E186 | N154-G188 CarbonylContact C-O 3.57Å; N154-G188 WeakPolarHBondContact CA-O 3.4Å; N154-G188 WeakPolarHBondContact CB-O 3.32Å; V185-G188 PolarHBondContact O-N 2.85Å; E186-G188 PolarHBondContact O-N 3.32Å |
| 189 | I | 97.7 | Very high | 96.7 | Very high | 21 Ų | 21 | 59.7 Ų | 59.7 | 11% | 0.108 | 30% | 0.301 | C | S | . | . | trans | -50.3 | 155 | 169.4 | 63.8 | 170.7 | 0 | 0 | 0 | 111.3 | L153 L158 I184 V185 G191 H192 | L153-I189 HydrophobicContact CD1-CG2 3.71Å; L153-I189 HydrophobicContact CG-CG2 3.92Å; L153-I189 WeakPolarHBondContact O-CA 3.28Å; L158-I189 HydrophobicContact CD1-CG2 4.12Å; L158-I189 HydrophobicContact CD2-CG2 4.32Å; I184-I189 HydrophobicContact CG2-CD1 3.96Å; I184-I189 HydrophobicContact CG2-CG2 3.58Å; V185-I189 HydrophobicContact CG2-CD1 4.21Å; I189-G191 VanDerWaalsContact CD1-O 3.31Å; I189-G191 WeakPolarHBondContact CD1-O 3.37Å; I189-G191 PolarHBondContact O-N 3.47Å; I189-H192 HydrophobicContact CD1-CB 4.17Å | ||
| 190 | R | 97.5 | Very high | 96.8 | Very high | 184 Ų | 184 | 56.5 Ų | 56.5 | 69% | 0.694 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -67 | -27.2 | 175 | -73.7 | -171.6 | 178.5 | 168.7 | -2 | 112.9 | K155 A156 | K155-R190 WeakPolarHBondContact O-CD 3.34Å; K155-R190 PolarHBondContact O-NE 3.21Å; A156-R190 PolarHBondContact O-N 2.88Å |
| 191 | G | 97.1 | Very high | 96.9 | Very high | 16 Ų | 16 | 56.5 Ų | 56.5 | 17% | 0.165 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.5 | 175.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L158 I189 | L158-G191 PolarHBondContact N-O 3.15Å; I189-G191 VanDerWaalsContact CD1-O 3.31Å; I189-G191 WeakPolarHBondContact CD1-O 3.37Å; I189-G191 PolarHBondContact O-N 3.47Å |
| 192 | H | 96.3 | Very high | 97.1 | Very high | 82 Ų | 82 | 55.5 Ų | 55.5 | 38% | 0.38 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 160.4 | 172.2 | 77.1 | -79.6 | 0 | 0 | 0 | 111.5 | L158 L160 I189 | L158-H192 CarbonylContact O-C 3.37Å; L158-H192 WeakPolarHBondContact O-CA 3.38Å; L160-H192 HydrophobicContact CD1-CB 3.87Å; L160-H192 HydrophobicContact CG-CB 4.39Å; I189-H192 HydrophobicContact CD1-CB 4.17Å |
| 193 | R | 97.4 | Very high | 97.2 | Very high | 120 Ų | 120 | 50 Ų | 50 | 45% | 0.453 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 158.1 | 166.8 | -56.7 | -69.9 | -179.4 | -87.3 | -0.8 | 109.8 | L157 L158 L159 L160 F195 | L157-R193 HydrophobicContact CD1-CG 4.4Å; L158-R193 PolarHBondContact O-N 3.27Å; L159-R193 WeakPolarHBondContact CA-O 3.44Å; L159-R193 HydrophobicContact CD2-CB 3.65Å; L159-R193 HydrophobicContact CD2-CG 4.27Å; L160-R193 PolarHBondContact N-O 3.04Å; R193-F195 HydrophobicContact CB-CD2 4.48Å; R193-F195 HydrophobicContact CB-CE1 4.35Å; R193-F195 HydrophobicContact CB-CE2 3.92Å; R193-F195 HydrophobicContact CB-CZ 3.85Å; R193-F195 HydrophobicContact CG-CE2 4.35Å; R193-F195 HydrophobicContact CG-CZ 3.96Å |
| 194 | S | 95.9 | Very high | 97.2 | Very high | 61 Ų | 61 | 46.9 Ų | 46.9 | 43% | 0.427 | 24% | 0.243 | S | C | . | . | trans | -140.1 | 104.8 | 172.4 | -54.9 | 0 | 0 | 0 | 0 | 107.7 | L160 | L160-S194 VanDerWaalsContact O-CB 3.32Å; L160-S194 WeakPolarHBondContact O-CB 3.41Å; L160-S194 PolarHBondContact O-OG 2.79Å | ||
| 195 | F | 95.8 | Very high | 97.3 | Very high | 49 Ų | 49 | 46.9 Ų | 46.9 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | trans | -92.4 | -13.2 | -176.8 | -63.7 | -59.2 | 0 | 0 | 0 | 113.8 | N96 F103 L159 R193 N201 Y204 | N96-F195 PolarHBondContact ND2-O 3.41Å; F103-F195 HydrophobicContact CB-CB 4.29Å; F103-F195 WeakPolarHBondContact CB-O 3.34Å; F103-F195 HydrophobicContact CD1-CB 4.18Å; F103-F195 HydrophobicContact CD1-CD1 4.22Å; F103-F195 HydrophobicContact CD1-CG 4.31Å; F103-F195 HydrophobicContact CD2-CB 4.24Å; F103-F195 HydrophobicContact CD2-CD1 4.03Å; F103-F195 AromaticContact CE1-CD1 3.84Å; F103-F195 HydrophobicContact CE1-CD1 3.84Å; F103-F195 HydrophobicContact CE1-CE1 4.22Å; F103-F195 HydrophobicContact CE1-CG 4.27Å; F103-F195 AromaticContact CE2-CD1 3.64Å; F103-F195 HydrophobicContact CE2-CD1 3.64Å; F103-F195 HydrophobicContact CE2-CE1 4.23Å; F103-F195 HydrophobicContact CG-CB 3.98Å; F103-F195 HydrophobicContact CG-CD1 4.31Å; F103-F195 HydrophobicContact CG-CG 4.45Å; F103-F195 AromaticContact CZ-CD1 3.54Å; F103-F195 HydrophobicContact CZ-CD1 3.54Å; F103-F195 AromaticContact CZ-CE1 3.81Å; F103-F195 HydrophobicContact CZ-CE1 3.81Å; F103-F195 HydrophobicContact CZ-CG 4.39Å; L159-F195 HydrophobicContact CD2-CD2 4.07Å; L159-F195 HydrophobicContact CD2-CE2 3.67Å; R193-F195 HydrophobicContact CB-CD2 4.48Å; R193-F195 HydrophobicContact CB-CE1 4.35Å; R193-F195 HydrophobicContact CB-CE2 3.92Å; R193-F195 HydrophobicContact CB-CZ 3.85Å; R193-F195 HydrophobicContact CG-CE2 4.35Å; R193-F195 HydrophobicContact CG-CZ 3.96Å; F195-N201 WeakPolarHBondContact CD2-OD1 3.26Å; F195-Y204 AromaticContact CD2-CD2 3.61Å; F195-Y204 HydrophobicContact CD2-CD2 3.61Å; F195-Y204 AromaticContact CD2-CE2 3.74Å; F195-Y204 HydrophobicContact CD2-CE2 3.74Å; F195-Y204 AromaticContact CE2-CD2 3.63Å; F195-Y204 HydrophobicContact CE2-CD2 3.63Å; F195-Y204 AromaticContact CE2-CE2 3.93Å; F195-Y204 HydrophobicContact CE2-CE2 3.93Å; F195-Y204 HydrophobicContact CG-CE2 4.25Å | ||
| 196 | G | 95.4 | Very high | 97.5 | Very high | 47 Ų | 47 | 43.2 Ų | 43.2 | 49% | 0.485 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 79.6 | 15.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | G93 N96 | G93-G196 WeakPolarHBondContact CA-O 3.35Å; N96-G196 PolarHBondContact ND2-O 3.46Å |
| 197 | S | 97.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | trans | -139.5 | 122.3 | 170.2 | 148.8 | 0 | 0 | 0 | 0 | 108.3 | D92 L200 N201 | D92-S197 VanDerWaalsContact OD2-C 3.26Å; D92-S197 WeakPolarHBondContact OD2-CA 3.39Å; D92-S197 VanDerWaalsContact OD2-CB 3.26Å; D92-S197 WeakPolarHBondContact OD2-CB 3.27Å; D92-S197 PolarHBondContact OD2-OG 2.9Å; S197-L200 VanDerWaalsContact OG-CB 3.31Å; S197-L200 WeakPolarHBondContact OG-CB 3.35Å; S197-L200 VanDerWaalsContact OG-CG 3.28Å; S197-L200 WeakPolarHBondContact OG-CG 3.38Å; S197-L200 PolarHBondContact OG-N 3.37Å; S197-L200 VanDerWaalsContact OG-N 3.13Å; S197-N201 PolarHBondContact O-N 2.84Å; S197-N201 VanDerWaalsContact O-N 3.08Å; S197-N201 PolarHBondContact O-ND2 3.15Å | ||
| 198 | A | 97.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 34 Ų | 34 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.9 | -41.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | D92 L200 N201 L202 Y213 L218 D222 | D92-A198 PolarHBondContact OD1-N 3.21Å; D92-A198 PolarHBondContact OD2-N 2.8Å; A198-L200 PolarHBondContact O-N 2.54Å; A198-N201 WeakPolarHBondContact O-CB 3.45Å; A198-N201 PolarHBondContact O-N 3.47Å; A198-L202 PolarHBondContact O-N 2.99Å; A198-Y213 VanDerWaalsContact CA-OH 3.32Å; A198-Y213 WeakPolarHBondContact CA-OH 3.3Å; A198-Y213 HydrophobicContact CB-CE1 4.44Å; A198-Y213 WeakPolarHBondContact CB-OH 3.41Å; A198-L218 HydrophobicContact CB-CD1 3.81Å; A198-L218 HydrophobicContact CB-CD2 3.71Å; A198-L218 HydrophobicContact CB-CG 4.4Å; A198-D222 HydrophobicContact CB-CB 3.97Å |
| 199 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.7 | -44.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | D92 I121 L202 C203 | D92-A199 HydrophobicContact CB-CB 4.27Å; D92-A199 WeakPolarHBondContact OD2-CB 3.42Å; D92-A199 PolarHBondContact OD2-N 3.22Å; I121-A199 HydrophobicContact CD1-CB 3.68Å; I121-A199 HydrophobicContact CG1-CB 4.13Å; I121-A199 HydrophobicContact CG2-CB 4.14Å; A199-L202 PolarHBondContact O-N 3.27Å; A199-C203 PolarHBondContact O-N 2.97Å; A199-C203 PolarHBondContact O-SG 3.47Å; A199-C203 VanDerWaalsContact O-SG 3.42Å |
| 200 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.9 | -35.7 | 175.5 | -67.9 | 175.3 | 0 | 0 | 0 | 112.8 | F103 C105 I121 N123 S197 A198 L202 C203 Y204 | F103-L200 HydrophobicContact CB-CD1 4.02Å; F103-L200 HydrophobicContact CD1-CD1 4.39Å; C105-L200 HydrophobicContact CB-CD1 4.31Å; C105-L200 HydrophobicContact CB-CD2 4.06Å; C105-L200 HydrophobicContact CB-CG 4.08Å; I121-L200 HydrophobicContact CG2-CD2 4.05Å; N123-L200 HydrophobicContact CB-CD1 4.42Å; N123-L200 HydrophobicContact CB-CD2 4.06Å; S197-L200 VanDerWaalsContact OG-CB 3.31Å; S197-L200 WeakPolarHBondContact OG-CB 3.35Å; S197-L200 VanDerWaalsContact OG-CG 3.28Å; S197-L200 WeakPolarHBondContact OG-CG 3.38Å; S197-L200 PolarHBondContact OG-N 3.37Å; S197-L200 VanDerWaalsContact OG-N 3.13Å; A198-L200 PolarHBondContact O-N 2.54Å; L200-L202 VanDerWaalsContact C-N 3.31Å; L200-L202 PolarHBondContact O-N 3.22Å; L200-C203 WeakPolarHBondContact O-CB 3.48Å; L200-C203 PolarHBondContact O-N 3.42Å; L200-Y204 HydrophobicContact CB-CE2 4.25Å; L200-Y204 WeakPolarHBondContact O-CD2 3.25Å; L200-Y204 VanDerWaalsContact O-CG 3.29Å; L200-Y204 PolarHBondContact O-N 3.4Å |
| 201 | N | 98.5 | Very high | 97.9 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.4 | -43.9 | 173.9 | -72.6 | -26.9 | 0 | 0 | 0 | 111.3 | L159 F195 S197 A198 Y204 V205 Y213 | L159-N201 HydrophobicContact CB-CB 4.29Å; L159-N201 VanDerWaalsContact CD1-CA 3.5Å; L159-N201 HydrophobicContact CD1-CB 3.64Å; L159-N201 WeakPolarHBondContact CD1-O 3.37Å; F195-N201 WeakPolarHBondContact CD2-OD1 3.26Å; S197-N201 PolarHBondContact O-N 2.84Å; S197-N201 VanDerWaalsContact O-N 3.08Å; S197-N201 PolarHBondContact O-ND2 3.15Å; A198-N201 WeakPolarHBondContact O-CB 3.45Å; A198-N201 PolarHBondContact O-N 3.47Å; N201-Y204 PolarHBondContact O-N 3.14Å; N201-V205 PolarHBondContact O-N 2.89Å; N201-V205 VanDerWaalsContact O-N 3.1Å; N201-Y213 HydrophobicContact CB-CD1 3.99Å; N201-Y213 HydrophobicContact CB-CD2 3.68Å; N201-Y213 HydrophobicContact CB-CE1 4.03Å; N201-Y213 HydrophobicContact CB-CE2 3.75Å; N201-Y213 HydrophobicContact CB-CG 3.8Å; N201-Y213 VanDerWaalsContact ND2-CE2 3.29Å; N201-Y213 WeakPolarHBondContact ND2-CE2 3.26Å |
| 202 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 174.3 | -70.9 | 166.1 | 0 | 0 | 0 | 111.7 | A198 A199 L200 Y204 V205 A206 Y213 I223 V230 I252 A254 | A198-L202 PolarHBondContact O-N 2.99Å; A199-L202 PolarHBondContact O-N 3.27Å; L200-L202 VanDerWaalsContact C-N 3.31Å; L200-L202 PolarHBondContact O-N 3.22Å; L202-Y204 VanDerWaalsContact C-N 3.3Å; L202-Y204 PolarHBondContact O-N 3.33Å; L202-V205 PolarHBondContact O-N 3.04Å; L202-A206 PolarHBondContact O-N 3.05Å; L202-Y213 HydrophobicContact CD2-CD1 3.72Å; L202-Y213 HydrophobicContact CD2-CE1 4.26Å; L202-Y213 HydrophobicContact CG-CD1 3.82Å; L202-Y213 HydrophobicContact CG-CE1 3.98Å; L202-I223 HydrophobicContact CD1-CB 4.01Å; L202-I223 HydrophobicContact CD1-CG2 4.06Å; L202-V230 HydrophobicContact CB-CG2 4.14Å; L202-V230 HydrophobicContact CD2-CG2 4.1Å; L202-V230 VanDerWaalsContact O-CG2 3.24Å; L202-V230 WeakPolarHBondContact O-CG2 3.42Å; L202-I252 HydrophobicContact CD2-CG1 4.31Å; L202-A254 HydrophobicContact CD2-CB 3.46Å; L202-A254 VanDerWaalsContact CD2-CB 3.46Å |
| 203 | C | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.1 | -37.5 | 176.1 | -73.7 | 0 | 0 | 0 | 0 | 113.2 | I121 F130 A199 L200 A206 L207 | I121-C203 WeakPolarHBondContact CD1-SG 3.33Å; F130-C203 HydrophobicContact CB-CB 4.4Å; F130-C203 VanDerWaalsContact CB-SG 3.52Å; F130-C203 HydrophobicContact CD1-CB 3.75Å; F130-C203 HydrophobicContact CD2-CB 3.77Å; F130-C203 HydrophobicContact CE1-CB 3.83Å; F130-C203 HydrophobicContact CE2-CB 3.85Å; F130-C203 HydrophobicContact CG-CB 3.71Å; F130-C203 WeakPolarHBondContact CG-SG 3.35Å; F130-C203 HydrophobicContact CZ-CB 3.88Å; A199-C203 PolarHBondContact O-N 2.97Å; A199-C203 PolarHBondContact O-SG 3.47Å; A199-C203 VanDerWaalsContact O-SG 3.42Å; L200-C203 WeakPolarHBondContact O-CB 3.48Å; L200-C203 PolarHBondContact O-N 3.42Å; C203-A206 CarbonylContact O-C 3.57Å; C203-A206 WeakPolarHBondContact O-CB 3.21Å; C203-A206 PolarHBondContact O-N 2.8Å; C203-L207 VanDerWaalsContact O-CB 3.31Å; C203-L207 WeakPolarHBondContact O-CB 3.24Å; C203-L207 PolarHBondContact O-N 2.62Å |
| 204 | Y | 98.8 | Very high | 98.1 | Very high | 15 Ų | 15 | 16.6 Ų | 16.6 | 6% | 0.059 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -74.1 | -29.2 | 178.7 | -67.4 | -27 | 0 | 0 | 0 | 113.5 | F103 E128 F130 F195 L200 N201 L202 L207 G208 C209 A210 | F103-Y204 HydrophobicContact CD1-CE2 4.16Å; F103-Y204 HydrophobicContact CE1-CE2 4.07Å; F103-Y204 WeakPolarHBondContact CE1-OH 3.44Å; E128-Y204 PolarHBondContact OE2-OH 2.9Å; F130-Y204 HydrophobicContact CZ-CD1 4.35Å; F130-Y204 HydrophobicContact CZ-CE1 4.25Å; F195-Y204 AromaticContact CD2-CD2 3.61Å; F195-Y204 HydrophobicContact CD2-CD2 3.61Å; F195-Y204 AromaticContact CD2-CE2 3.74Å; F195-Y204 HydrophobicContact CD2-CE2 3.74Å; F195-Y204 AromaticContact CE2-CD2 3.63Å; F195-Y204 HydrophobicContact CE2-CD2 3.63Å; F195-Y204 AromaticContact CE2-CE2 3.93Å; F195-Y204 HydrophobicContact CE2-CE2 3.93Å; F195-Y204 HydrophobicContact CG-CE2 4.25Å; L200-Y204 HydrophobicContact CB-CE2 4.25Å; L200-Y204 WeakPolarHBondContact O-CD2 3.25Å; L200-Y204 VanDerWaalsContact O-CG 3.29Å; L200-Y204 PolarHBondContact O-N 3.4Å; N201-Y204 PolarHBondContact O-N 3.14Å; L202-Y204 VanDerWaalsContact C-N 3.3Å; L202-Y204 PolarHBondContact O-N 3.33Å; Y204-L207 HydrophobicContact CD1-CD2 4.38Å; Y204-G208 PolarHBondContact O-N 3.33Å; Y204-C209 VanDerWaalsContact CB-SG 3.59Å; Y204-C209 PolarHBondContact O-N 2.87Å; Y204-C209 PolarHBondContact O-SG 2.97Å; Y204-A210 PolarHBondContact O-N 3.17Å |
| 205 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.5 | -49.1 | 165 | 175.9 | 0 | 0 | 0 | 0 | 109.9 | V147 L159 N201 L202 L207 G208 A210 | V147-V205 WeakPolarHBondContact CG1-O 3.41Å; L159-V205 HydrophobicContact CD1-CG2 4.29Å; N201-V205 PolarHBondContact O-N 2.89Å; N201-V205 VanDerWaalsContact O-N 3.1Å; L202-V205 PolarHBondContact O-N 3.04Å; V205-L207 VanDerWaalsContact C-N 3.26Å; V205-L207 PolarHBondContact O-N 3.38Å; V205-G208 PolarHBondContact O-N 2.85Å; V205-A210 HydrophobicContact CG2-CB 4.34Å |
| 206 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.8 | -34.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I145 Q146 V147 L202 C203 G208 I229 V230 A233 | I145-A206 HydrophobicContact CD1-CB 3.99Å; Q146-A206 CarbonylContact C-O 3.58Å; V147-A206 PolarHBondContact N-O 2.56Å; L202-A206 PolarHBondContact O-N 3.05Å; C203-A206 CarbonylContact O-C 3.57Å; C203-A206 WeakPolarHBondContact O-CB 3.21Å; C203-A206 PolarHBondContact O-N 2.8Å; A206-G208 PolarHBondContact O-N 3.2Å; A206-I229 HydrophobicContact CB-CG2 3.65Å; A206-V230 HydrophobicContact CB-CG2 4.06Å; A206-A233 HydrophobicContact CB-CB 3.81Å; A206-A233 WeakPolarHBondContact O-CB 3.43Å |
| 207 | L | 98.8 | Very high | 97.8 | Very high | 46 Ų | 46 | 9.8 Ų | 9.8 | 24% | 0.241 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -18 | 175.7 | -176 | 60.6 | 0 | 0 | 0 | 112.9 | F130 R140 I145 Q146 C203 Y204 V205 C209 | F130-L207 HydrophobicContact CE1-CB 4.36Å; F130-L207 HydrophobicContact CE1-CD2 4.49Å; R140-L207 VanDerWaalsContact NH1-CD2 3.31Å; I145-L207 HydrophobicContact CB-CD1 4.21Å; I145-L207 HydrophobicContact CG2-CD1 3.55Å; Q146-L207 CarbonylContact O-C 3.57Å; C203-L207 VanDerWaalsContact O-CB 3.31Å; C203-L207 WeakPolarHBondContact O-CB 3.24Å; C203-L207 PolarHBondContact O-N 2.62Å; Y204-L207 HydrophobicContact CD1-CD2 4.38Å; V205-L207 VanDerWaalsContact C-N 3.26Å; V205-L207 PolarHBondContact O-N 3.38Å; L207-C209 VanDerWaalsContact C-N 3.32Å |
| 208 | G | 98.7 | Very high | 97.7 | Very high | 24 Ų | 24 | 10 Ų | 10 | 25% | 0.247 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 12.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q146 Y204 V205 A206 | Q146-G208 PolarHBondContact O-N 2.94Å; Y204-G208 PolarHBondContact O-N 3.33Å; V205-G208 PolarHBondContact O-N 2.85Å; A206-G208 PolarHBondContact O-N 3.2Å |
| 209 | C | 98.2 | Very high | 97.5 | Very high | 72 Ų | 72 | 12.3 Ų | 12.3 | 49% | 0.486 | 7% | 0.074 | S | C | . | . | S | Bend | trans | -87.4 | -16.3 | 173.6 | 67.9 | 0 | 0 | 0 | 0 | 113 | L157 Y204 L207 | L157-C209 WeakPolarHBondContact CD2-O 3.26Å; Y204-C209 VanDerWaalsContact CB-SG 3.59Å; Y204-C209 PolarHBondContact O-N 2.87Å; Y204-C209 PolarHBondContact O-SG 2.97Å; L207-C209 VanDerWaalsContact C-N 3.32Å |
| 210 | A | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 12.3 Ų | 12.3 | 2% | 0.017 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -123.7 | 156.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | L159 Y204 V205 | L159-A210 HydrophobicContact CD1-CB 3.81Å; L159-A210 HydrophobicContact CD2-CB 3.88Å; L159-A210 HydrophobicContact CG-CB 3.67Å; Y204-A210 PolarHBondContact O-N 3.17Å; V205-A210 HydrophobicContact CG2-CB 4.34Å |
| 211 | D | 98.8 | Very high | 97.4 | Very high | 13 Ų | 13 | 13.1 Ų | 13.1 | 7% | 0.07 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -99 | -25.7 | -173.5 | -61.3 | -65.5 | 0 | 0 | 0 | 112.9 | S148 T150 A156 L157 T255 S256 L260 | S148-D211 VanDerWaalsContact CB-OD1 3.32Å; S148-D211 WeakPolarHBondContact CB-OD1 2.87Å; S148-D211 PolarHBondContact OG-OD1 2.71Å; T150-D211 WeakPolarHBondContact CB-OD1 3.45Å; T150-D211 HydrophobicContact CG2-CB 4.35Å; T150-D211 PolarHBondContact OG1-OD1 3.21Å; A156-D211 VanDerWaalsContact CA-OD2 3.27Å; A156-D211 WeakPolarHBondContact CA-OD2 3.47Å; A156-D211 HydrophobicContact CB-CB 3.87Å; L157-D211 PolarHBondContact N-OD2 2.67Å; L157-D211 PolarHBondContact O-N 2.87Å; D211-T255 CarbonylContact O-C 3.56Å; D211-T255 WeakPolarHBondContact O-CA 3.28Å; D211-S256 PolarHBondContact O-N 2.7Å; D211-S256 PolarHBondContact O-OG 3.06Å; D211-S256 VanDerWaalsContact O-OG 3.14Å; D211-L260 HydrophobicContact CB-CD2 3.82Å; D211-L260 VanDerWaalsContact O-CD2 3.3Å; D211-L260 WeakPolarHBondContact O-CD2 3.39Å |
| 212 | A | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 158.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L158 L159 A254 T255 L260 I264 | L158-A212 CarbonylContact C-O 3.55Å; L158-A212 WeakPolarHBondContact CA-O 3.37Å; L158-A212 HydrophobicContact CD1-CB 4.4Å; L158-A212 HydrophobicContact CG-CB 4.1Å; L159-A212 PolarHBondContact N-O 3.04Å; A212-A254 CarbonylContact C-O 3.54Å; A212-A254 WeakPolarHBondContact CA-O 3.43Å; A212-A254 WeakPolarHBondContact CB-O 3.43Å; A212-T255 HydrophobicContact CB-CG2 3.84Å; A212-L260 HydrophobicContact CB-CD2 3.98Å; A212-L260 HydrophobicContact CB-CG 4.49Å; A212-I264 HydrophobicContact CB-CD1 3.52Å |
| 213 | Y | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 131.1 | 173.3 | 170.1 | -129 | 0 | 0 | 0 | 109.6 | L159 A198 N201 L202 E215 L218 I252 L253 A254 | L159-Y213 HydrophobicContact CB-CD2 3.76Å; L159-Y213 HydrophobicContact CB-CG 4.31Å; L159-Y213 WeakPolarHBondContact O-CA 3.37Å; L159-Y213 WeakPolarHBondContact O-CD2 3.36Å; A198-Y213 VanDerWaalsContact CA-OH 3.32Å; A198-Y213 WeakPolarHBondContact CA-OH 3.3Å; A198-Y213 HydrophobicContact CB-CE1 4.44Å; A198-Y213 WeakPolarHBondContact CB-OH 3.41Å; N201-Y213 HydrophobicContact CB-CD1 3.99Å; N201-Y213 HydrophobicContact CB-CD2 3.68Å; N201-Y213 HydrophobicContact CB-CE1 4.03Å; N201-Y213 HydrophobicContact CB-CE2 3.75Å; N201-Y213 HydrophobicContact CB-CG 3.8Å; N201-Y213 VanDerWaalsContact ND2-CE2 3.29Å; N201-Y213 WeakPolarHBondContact ND2-CE2 3.26Å; L202-Y213 HydrophobicContact CD2-CD1 3.72Å; L202-Y213 HydrophobicContact CD2-CE1 4.26Å; L202-Y213 HydrophobicContact CG-CD1 3.82Å; L202-Y213 HydrophobicContact CG-CE1 3.98Å; Y213-E215 HydrophobicContact CE1-CB 4.43Å; Y213-E215 HydrophobicContact CE2-CB 3.76Å; Y213-E215 VanDerWaalsContact CE2-OE2 3.26Å; Y213-E215 WeakPolarHBondContact CE2-OE2 3.33Å; Y213-E215 VanDerWaalsContact CZ-OE2 3.25Å; Y213-E215 WeakPolarHBondContact OH-CB 3.14Å; Y213-E215 VanDerWaalsContact OH-CD 3.32Å; Y213-E215 PolarHBondContact OH-OE2 3.35Å; Y213-L218 HydrophobicContact CE1-CD1 4.26Å; Y213-L218 WeakPolarHBondContact OH-CD1 3.49Å; Y213-I252 HydrophobicContact CD1-CG2 4.44Å; Y213-I252 HydrophobicContact CE1-CG2 4.03Å; Y213-L253 WeakPolarHBondContact O-CA 3.43Å; Y213-A254 PolarHBondContact N-O 3.41Å; Y213-A254 PolarHBondContact O-N 3.48Å |
| 214 | L | 97.3 | Very high | 97.2 | Very high | 10 Ų | 10 | 13.7 Ų | 13.7 | 5% | 0.052 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 125.9 | 178.4 | 171.7 | 67.8 | 0 | 0 | 0 | 109.6 | L159 L160 I184 F216 A240 L253 I264 I268 | L159-L214 PolarHBondContact O-N 2.87Å; L160-L214 HydrophobicContact CD2-CB 4.11Å; I184-L214 HydrophobicContact CD1-CD2 4.1Å; L214-F216 HydrophobicContact CD1-CE2 4.09Å; L214-F216 HydrophobicContact CD1-CZ 4.12Å; L214-F216 HydrophobicContact CD2-CE2 4.44Å; L214-F216 HydrophobicContact CG-CE2 4.26Å; L214-A240 HydrophobicContact CD1-CB 4.07Å; L214-L253 HydrophobicContact CB-CD1 4.32Å; L214-L253 HydrophobicContact CD1-CB 4.45Å; L214-I264 HydrophobicContact CD2-CG2 4.45Å; L214-I268 HydrophobicContact CD1-CD1 3.77Å; L214-I268 HydrophobicContact CD2-CD1 3.77Å; L214-I268 HydrophobicContact CD2-CG2 3.86Å; L214-I268 HydrophobicContact CG-CD1 4.45Å |
| 215 | E | 95.4 | Very high | 97.2 | Very high | 9 Ų | 9 | 13 Ų | 13 | 4% | 0.042 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 150.4 | 173.5 | -168.8 | 147.7 | -172.3 | 0 | 0 | 111.7 | T161 Q165 Y213 L218 I252 | T161-E215 WeakPolarHBondContact CB-OE1 2.88Å; T161-E215 HydrophobicContact CG2-CB 4.06Å; T161-E215 HydrophobicContact CG2-CG 3.38Å; T161-E215 VanDerWaalsContact CG2-OE1 3.25Å; T161-E215 WeakPolarHBondContact CG2-OE1 3.2Å; T161-E215 PolarHBondContact OG1-OE1 3.21Å; Q165-E215 PolarHBondContact NE2-OE1 2.99Å; Y213-E215 HydrophobicContact CE1-CB 4.43Å; Y213-E215 HydrophobicContact CE2-CB 3.76Å; Y213-E215 VanDerWaalsContact CE2-OE2 3.26Å; Y213-E215 WeakPolarHBondContact CE2-OE2 3.33Å; Y213-E215 VanDerWaalsContact CZ-OE2 3.25Å; Y213-E215 WeakPolarHBondContact OH-CB 3.14Å; Y213-E215 VanDerWaalsContact OH-CD 3.32Å; Y213-E215 PolarHBondContact OH-OE2 3.35Å; E215-L218 HydrophobicContact CB-CD1 3.93Å; E215-L218 HydrophobicContact CB-CG 4.14Å; E215-L218 HydrophobicContact CG-CD1 4.08Å; E215-L218 HydrophobicContact CG-CD2 3.78Å; E215-L218 HydrophobicContact CG-CG 3.75Å; E215-I252 HydrophobicContact CB-CG2 4.36Å; E215-I252 PolarHBondContact N-O 3.2Å; E215-I252 PolarHBondContact O-N 2.97Å |
| 216 | F | 94.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.009 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 164 | 173.4 | -52.4 | -96.9 | 0 | 0 | 0 | 108.6 | N166 Y177 L214 L218 A240 R250 R251 I268 D269 V270 I271 L273 | N166-F216 PolarHBondContact ND2-O 3.37Å; Y177-F216 HydrophobicContact CD1-CD2 4.48Å; Y177-F216 HydrophobicContact CE1-CB 4.4Å; Y177-F216 AromaticContact CE1-CD2 3.85Å; Y177-F216 HydrophobicContact CE1-CD2 3.85Å; Y177-F216 WeakPolarHBondContact OH-CB 3.44Å; Y177-F216 PolarHBondContact OH-N 3.17Å; Y177-F216 PolarHBondContact OH-O 2.87Å; L214-F216 HydrophobicContact CD1-CE2 4.09Å; L214-F216 HydrophobicContact CD1-CZ 4.12Å; L214-F216 HydrophobicContact CD2-CE2 4.44Å; L214-F216 HydrophobicContact CG-CE2 4.26Å; F216-L218 PolarHBondContact O-N 2.61Å; F216-A240 HydrophobicContact CD1-CB 4.23Å; F216-A240 HydrophobicContact CE1-CB 3.35Å; F216-A240 HydrophobicContact CZ-CB 3.71Å; F216-R250 CarbonylContact C-O 3.54Å; F216-R250 WeakPolarHBondContact CA-O 3.45Å; F216-R251 HydrophobicContact CD1-CB 3.87Å; F216-R251 HydrophobicContact CE1-CB 4.48Å; F216-I268 HydrophobicContact CZ-CD1 4.46Å; F216-D269 WeakPolarHBondContact CZ-O 2.87Å; F216-V270 HydrophobicContact CE1-CB 4.39Å; F216-V270 HydrophobicContact CE1-CG1 4.14Å; F216-V270 HydrophobicContact CE1-CG2 4.48Å; F216-I271 HydrophobicContact CB-CB 4.46Å; F216-I271 HydrophobicContact CB-CD1 4.1Å; F216-I271 HydrophobicContact CD1-CB 4.1Å; F216-I271 HydrophobicContact CD1-CG1 4.31Å; F216-I271 HydrophobicContact CD2-CD1 4.11Å; F216-I271 HydrophobicContact CD2-CG1 4.43Å; F216-I271 HydrophobicContact CG-CB 4.31Å; F216-I271 HydrophobicContact CG-CD1 4.06Å; F216-I271 HydrophobicContact CG-CG1 4.21Å; F216-L273 HydrophobicContact CB-CD1 4.05Å |
| 217 | G | 92.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 13.2 Ų | 13.2 | 3% | 0.031 | 8% | 0.078 | C | C | . | . | S | Bend | trans | 71.5 | 3.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | N166 R250 | N166-G217 WeakPolarHBondContact ND2-CA 3.39Å; N166-G217 PolarHBondContact OD1-O 3.07Å; G217-R250 PolarHBondContact N-O 3.38Å; G217-R250 PolarHBondContact O-NE 2.91Å; G217-R250 PolarHBondContact O-NH2 2.93Å |
| 218 | L | 93.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 11 Ų | 11 | 2% | 0.021 | 7% | 0.067 | C | C | . | . | trans | -66.4 | 152.8 | 169.6 | -60 | 179.4 | 0 | 0 | 0 | 111.1 | A198 Y213 E215 F216 D222 I223 R250 I252 | A198-L218 HydrophobicContact CB-CD1 3.81Å; A198-L218 HydrophobicContact CB-CD2 3.71Å; A198-L218 HydrophobicContact CB-CG 4.4Å; Y213-L218 HydrophobicContact CE1-CD1 4.26Å; Y213-L218 WeakPolarHBondContact OH-CD1 3.49Å; E215-L218 HydrophobicContact CB-CD1 3.93Å; E215-L218 HydrophobicContact CB-CG 4.14Å; E215-L218 HydrophobicContact CG-CD1 4.08Å; E215-L218 HydrophobicContact CG-CD2 3.78Å; E215-L218 HydrophobicContact CG-CG 3.75Å; F216-L218 PolarHBondContact O-N 2.61Å; L218-D222 VanDerWaalsContact CA-OD2 3.28Å; L218-D222 WeakPolarHBondContact CA-OD2 3.37Å; L218-D222 HydrophobicContact CB-CB 4.05Å; L218-D222 WeakPolarHBondContact CB-OD2 3.31Å; L218-D222 HydrophobicContact CD1-CB 4.49Å; L218-D222 HydrophobicContact CD2-CB 4.29Å; L218-I223 HydrophobicContact CB-CG2 4.16Å; L218-I223 HydrophobicContact CD1-CG2 3.42Å; L218-I223 VanDerWaalsContact CD1-CG2 3.42Å; L218-I223 HydrophobicContact CG-CG2 4.47Å; L218-R250 WeakPolarHBondContact O-CA 3.36Å; L218-R250 WeakPolarHBondContact O-CB 3.18Å; L218-R250 WeakPolarHBondContact O-CD 3.46Å; L218-R250 PolarHBondContact O-NE 2.73Å; L218-I252 HydrophobicContact CD1-CG2 3.59Å | ||
| 219 | H | 94.3 | Very high | 97.2 | Very high | 55 Ų | 55 | 9.9 Ų | 9.9 | 26% | 0.255 | 6% | 0.055 | S | C | . | . | trans | -93.4 | 168.1 | 171 | -68.1 | -81.5 | 0 | 0 | 0 | 111.4 | W221 D222 R250 D276 | H219-W221 HydrophobicContact CB-CD2 3.69Å; H219-W221 HydrophobicContact CB-CE3 4.2Å; H219-W221 HydrophobicContact CB-CG 4.23Å; H219-W221 HydrophobicContact CB-CH2 3.92Å; H219-W221 HydrophobicContact CB-CZ2 3.36Å; H219-W221 HydrophobicContact CB-CZ3 4.3Å; H219-W221 AromaticContact CD2-CZ2 3.74Å; H219-W221 AromaticContact CG-CE2 3.71Å; H219-W221 AromaticContact CG-CH2 3.85Å; H219-W221 AromaticContact CG-CZ2 3.31Å; H219-W221 AromaticContact ND1-CH2 3.8Å; H219-W221 AromaticContact ND1-CZ2 3.71Å; H219-W221 PolarHBondContact O-N 3.17Å; H219-D222 PolarHBondContact N-OD2 2.81Å; H219-D222 WeakPolarHBondContact O-CB 3.27Å; H219-D222 PolarHBondContact O-N 3.5Å; H219-R250 PolarHBondContact CE1-NH1 3.44Å; H219-R250 PolarHBondContact CE1-NH2 3.3Å; H219-R250 PolarHBondContact NE2-NH2 2.81Å; H219-D276 WeakPolarHBondContact CA-OD2 3.27Å; H219-D276 IonicContact CE1-OD1 2.7Å; H219-D276 PolarHBondContact CE1-OD1 3.05Å; H219-D276 IonicContact CG-OD1 3.12Å; H219-D276 IonicContact ND1-OD1 3.75Å; H219-D276 PolarHBondContact ND1-OD1 3.1Å; H219-D276 IonicContact ND1-OD2 3.81Å | ||
| 220 | C | 96.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -58.5 | -34.1 | -178.6 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | I87 I223 A224 V247 M248 D276 | I87-C220 HydrophobicContact CG2-CB 4.46Å; C220-I223 PolarHBondContact O-N 2.67Å; C220-A224 WeakPolarHBondContact O-CB 3.11Å; C220-A224 PolarHBondContact O-N 3.25Å; C220-V247 WeakPolarHBondContact CA-O 3.49Å; C220-V247 HydrophobicContact CB-CG2 4.09Å; C220-V247 VanDerWaalsContact CB-O 3.29Å; C220-V247 WeakPolarHBondContact CB-O 3.37Å; C220-M248 HydrophobicContact CB-SD 3.6Å; C220-M248 VanDerWaalsContact CB-SD 3.6Å; C220-D276 PolarHBondContact N-OD2 2.75Å |
| 221 | W | 97.4 | Very high | 97.3 | Very high | 16 Ų | 16 | 9.5 Ų | 9.5 | 6% | 0.061 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -69.2 | -30.2 | 179.5 | 49.9 | 77.8 | 0 | 0 | 0 | 113.8 | I67 E69 T72 I87 I88 D89 S107 H219 I223 | I67-W221 HydrophobicContact CG2-CE3 4.04Å; I67-W221 HydrophobicContact CG2-CZ3 4.22Å; E69-W221 HydrophobicContact CB-CD2 3.88Å; E69-W221 HydrophobicContact CB-CG 4.06Å; E69-W221 HydrophobicContact CB-CZ2 4.08Å; E69-W221 HydrophobicContact CG-CD2 4.43Å; E69-W221 HydrophobicContact CG-CZ2 3.82Å; T72-W221 HydrophobicContact CG2-CH2 3.98Å; T72-W221 HydrophobicContact CG2-CZ3 4.15Å; I87-W221 HydrophobicContact CG2-CB 3.89Å; I88-W221 WeakPolarHBondContact O-CB 3.32Å; D89-W221 HydrophobicContact CB-CB 3.98Å; D89-W221 HydrophobicContact CB-CG 4.31Å; S107-W221 PolarHBondContact OG-O 3.34Å; H219-W221 HydrophobicContact CB-CD2 3.69Å; H219-W221 HydrophobicContact CB-CE3 4.2Å; H219-W221 HydrophobicContact CB-CG 4.23Å; H219-W221 HydrophobicContact CB-CH2 3.92Å; H219-W221 HydrophobicContact CB-CZ2 3.36Å; H219-W221 HydrophobicContact CB-CZ3 4.3Å; H219-W221 AromaticContact CD2-CZ2 3.74Å; H219-W221 AromaticContact CG-CE2 3.71Å; H219-W221 AromaticContact CG-CH2 3.85Å; H219-W221 AromaticContact CG-CZ2 3.31Å; H219-W221 AromaticContact ND1-CH2 3.8Å; H219-W221 AromaticContact ND1-CZ2 3.71Å; H219-W221 PolarHBondContact O-N 3.17Å; W221-I223 VanDerWaalsContact C-N 3.26Å; W221-I223 PolarHBondContact O-N 3.31Å |
| 222 | D | 97.2 | Very high | 97.3 | Very high | 17 Ų | 17 | 10.7 Ų | 10.7 | 9% | 0.091 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.5 | -31.9 | 175.5 | -58.3 | -26.6 | 0 | 0 | 0 | 112.3 | A198 L218 H219 | A198-D222 HydrophobicContact CB-CB 3.97Å; L218-D222 VanDerWaalsContact CA-OD2 3.28Å; L218-D222 WeakPolarHBondContact CA-OD2 3.37Å; L218-D222 HydrophobicContact CB-CB 4.05Å; L218-D222 WeakPolarHBondContact CB-OD2 3.31Å; L218-D222 HydrophobicContact CD1-CB 4.49Å; L218-D222 HydrophobicContact CD2-CB 4.29Å; H219-D222 PolarHBondContact N-OD2 2.81Å; H219-D222 WeakPolarHBondContact O-CB 3.27Å; H219-D222 PolarHBondContact O-N 3.5Å |
| 223 | I | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -114.9 | -28.7 | -168.2 | 66 | 175.5 | 0 | 0 | 0 | 114.2 | L202 L218 C220 W221 A225 G226 L227 V247 I252 | L202-I223 HydrophobicContact CD1-CB 4.01Å; L202-I223 HydrophobicContact CD1-CG2 4.06Å; L218-I223 HydrophobicContact CB-CG2 4.16Å; L218-I223 HydrophobicContact CD1-CG2 3.42Å; L218-I223 VanDerWaalsContact CD1-CG2 3.42Å; L218-I223 HydrophobicContact CG-CG2 4.47Å; C220-I223 PolarHBondContact O-N 2.67Å; W221-I223 VanDerWaalsContact C-N 3.26Å; W221-I223 PolarHBondContact O-N 3.31Å; I223-A225 VanDerWaalsContact C-N 3.32Å; I223-A225 PolarHBondContact O-N 3.33Å; I223-A225 VanDerWaalsContact O-N 3.14Å; I223-G226 CarbonylContact O-C 3.42Å; I223-G226 PolarHBondContact O-N 3.3Å; I223-L227 HydrophobicContact CB-CG 4.27Å; I223-L227 HydrophobicContact CD1-CD1 4.21Å; I223-L227 HydrophobicContact CG1-CD1 4.22Å; I223-L227 HydrophobicContact CG1-CG 4.44Å; I223-L227 VanDerWaalsContact O-CG 3.32Å; I223-L227 WeakPolarHBondContact O-CG 3.33Å; I223-L227 PolarHBondContact O-N 2.97Å; I223-V247 HydrophobicContact CD1-CG2 4.39Å; I223-V247 HydrophobicContact CG1-CG2 4.16Å; I223-I252 HydrophobicContact CG2-CB 4.46Å; I223-I252 HydrophobicContact CG2-CG2 4.21Å |
| 224 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -50.7 | -46.6 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I87 A109 Y111 C220 V247 | I87-A224 HydrophobicContact CB-CB 3.99Å; I87-A224 HydrophobicContact CD1-CB 3.89Å; I87-A224 HydrophobicContact CG1-CB 4.5Å; I87-A224 HydrophobicContact CG2-CB 3.98Å; A109-A224 HydrophobicContact CB-CB 3.76Å; Y111-A224 HydrophobicContact CE2-CB 3.75Å; C220-A224 WeakPolarHBondContact O-CB 3.11Å; C220-A224 PolarHBondContact O-N 3.25Å; A224-V247 HydrophobicContact CB-CG2 4.1Å |
| 225 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -71.4 | -44.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I108 A109 I121 I223 L227 L228 I229 | I108-A225 WeakPolarHBondContact O-CB 3.32Å; A109-A225 HydrophobicContact CB-CB 4.12Å; I121-A225 HydrophobicContact CD1-CB 4.01Å; I121-A225 HydrophobicContact CG1-CB 3.74Å; I223-A225 VanDerWaalsContact C-N 3.32Å; I223-A225 PolarHBondContact O-N 3.33Å; I223-A225 VanDerWaalsContact O-N 3.14Å; A225-L227 VanDerWaalsContact C-N 3.31Å; A225-L227 PolarHBondContact O-N 2.95Å; A225-L228 PolarHBondContact O-N 2.93Å; A225-I229 WeakPolarHBondContact O-CG1 3.49Å; A225-I229 PolarHBondContact O-N 3.08Å |
| 226 | G | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.5 | -32.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I223 L228 I229 V230 | I223-G226 CarbonylContact O-C 3.42Å; I223-G226 PolarHBondContact O-N 3.3Å; G226-L228 PolarHBondContact O-N 2.78Å; G226-I229 PolarHBondContact O-N 2.87Å; G226-V230 WeakPolarHBondContact O-CG2 3.28Å; G226-V230 PolarHBondContact O-N 3.24Å |
| 227 | L | 98.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.9 | -49.6 | 174.6 | -70.1 | -179.6 | 0 | 0 | 0 | 111.6 | I223 A225 Q231 V237 V245 V247 I252 | I223-L227 HydrophobicContact CB-CG 4.27Å; I223-L227 HydrophobicContact CD1-CD1 4.21Å; I223-L227 HydrophobicContact CG1-CD1 4.22Å; I223-L227 HydrophobicContact CG1-CG 4.44Å; I223-L227 VanDerWaalsContact O-CG 3.32Å; I223-L227 WeakPolarHBondContact O-CG 3.33Å; I223-L227 PolarHBondContact O-N 2.97Å; A225-L227 VanDerWaalsContact C-N 3.31Å; A225-L227 PolarHBondContact O-N 2.95Å; L227-Q231 VanDerWaalsContact O-CG 3.3Å; L227-Q231 WeakPolarHBondContact O-CG 3.15Å; L227-Q231 PolarHBondContact O-N 3.19Å; L227-Q231 VanDerWaalsContact O-N 3.08Å; L227-V237 HydrophobicContact CD2-CB 3.92Å; L227-V237 HydrophobicContact CD2-CG1 3.94Å; L227-V237 HydrophobicContact CD2-CG2 4.33Å; L227-V245 HydrophobicContact CD1-CG1 4.13Å; L227-V245 HydrophobicContact CD1-CG2 4.09Å; L227-V245 HydrophobicContact CD2-CG1 4.27Å; L227-V245 HydrophobicContact CD2-CG2 4.07Å; L227-V247 HydrophobicContact CD1-CB 4.27Å; L227-V247 HydrophobicContact CD1-CG2 4.01Å; L227-I252 HydrophobicContact CD2-CD1 3.36Å; L227-I252 HydrophobicContact CD2-CG1 4.2Å |
| 228 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.9 | -42.7 | 178.6 | -175 | 63.1 | 0 | 0 | 0 | 111.2 | P116 A132 K134 A225 G226 V230 Q231 E232 | P116-L228 HydrophobicContact CB-CB 3.97Å; P116-L228 HydrophobicContact CB-CD1 4.19Å; P116-L228 HydrophobicContact CB-CD2 4.29Å; P116-L228 HydrophobicContact CB-CG 4.37Å; P116-L228 HydrophobicContact CG-CB 4.4Å; P116-L228 HydrophobicContact CG-CD1 4.17Å; A132-L228 HydrophobicContact CB-CD2 4.26Å; A132-L228 HydrophobicContact CB-CG 4Å; K134-L228 HydrophobicContact CB-CD1 4.34Å; K134-L228 HydrophobicContact CD-CD1 3.72Å; A225-L228 PolarHBondContact O-N 2.93Å; G226-L228 PolarHBondContact O-N 2.78Å; L228-V230 PolarHBondContact O-N 3.41Å; L228-Q231 PolarHBondContact O-N 2.99Å; L228-E232 HydrophobicContact CD1-CG 3.86Å; L228-E232 HydrophobicContact CG-CG 4.13Å; L228-E232 WeakPolarHBondContact O-CB 3.42Å; L228-E232 WeakPolarHBondContact O-CG 2.98Å; L228-E232 PolarHBondContact O-N 3.41Å |
| 229 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | -180 | -69.9 | 163.7 | 0 | 0 | 0 | 111 | I121 F130 A132 A138 I145 A206 A225 G226 A233 | I121-I229 HydrophobicContact CB-CD1 4.26Å; I121-I229 HydrophobicContact CD1-CD1 3.82Å; I121-I229 HydrophobicContact CG1-CD1 3.97Å; F130-I229 HydrophobicContact CB-CD1 4.09Å; A132-I229 HydrophobicContact CB-CB 4.31Å; A132-I229 HydrophobicContact CB-CG1 3.68Å; A138-I229 HydrophobicContact CB-CG2 4.36Å; A138-I229 WeakPolarHBondContact CB-O 3.4Å; I145-I229 HydrophobicContact CD1-CG2 4.45Å; A206-I229 HydrophobicContact CB-CG2 3.65Å; A225-I229 WeakPolarHBondContact O-CG1 3.49Å; A225-I229 PolarHBondContact O-N 3.08Å; G226-I229 PolarHBondContact O-N 2.87Å; I229-A233 VanDerWaalsContact O-CB 3.31Å; I229-A233 WeakPolarHBondContact O-CB 3.34Å; I229-A233 PolarHBondContact O-N 3.33Å |
| 230 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64 | -46 | 175.7 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | L202 A206 G226 L228 A233 G234 G235 V237 A254 | L202-V230 HydrophobicContact CB-CG2 4.14Å; L202-V230 HydrophobicContact CD2-CG2 4.1Å; L202-V230 VanDerWaalsContact O-CG2 3.24Å; L202-V230 WeakPolarHBondContact O-CG2 3.42Å; A206-V230 HydrophobicContact CB-CG2 4.06Å; G226-V230 WeakPolarHBondContact O-CG2 3.28Å; G226-V230 PolarHBondContact O-N 3.24Å; L228-V230 PolarHBondContact O-N 3.41Å; V230-A233 PolarHBondContact O-N 3.18Å; V230-G234 PolarHBondContact O-N 3.17Å; V230-G235 WeakPolarHBondContact O-CA 3Å; V230-G235 PolarHBondContact O-N 3.49Å; V230-V237 HydrophobicContact CB-CG1 3.83Å; V230-V237 HydrophobicContact CG1-CG1 3.64Å; V230-A254 HydrophobicContact CG1-CB 4.3Å; V230-A254 HydrophobicContact CG2-CB 4.35Å |
| 231 | Q | 98.7 | Very high | 97.7 | Very high | 66 Ų | 66 | 17.7 Ų | 17.7 | 31% | 0.308 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -60.6 | -47.2 | 179.4 | -75.7 | 179 | -16.7 | 0 | 0 | 112.3 | L227 L228 A233 G234 V237 | L227-Q231 VanDerWaalsContact O-CG 3.3Å; L227-Q231 WeakPolarHBondContact O-CG 3.15Å; L227-Q231 PolarHBondContact O-N 3.19Å; L227-Q231 VanDerWaalsContact O-N 3.08Å; L228-Q231 PolarHBondContact O-N 2.99Å; Q231-A233 VanDerWaalsContact C-N 3.27Å; Q231-A233 PolarHBondContact O-N 2.97Å; Q231-G234 WeakPolarHBondContact O-CA 3.38Å; Q231-G234 PolarHBondContact O-N 3.5Å; Q231-V237 HydrophobicContact CG-CG1 4.39Å; Q231-V237 HydrophobicContact CG-CG2 3.52Å |
| 232 | E | 98.8 | Very high | 97.4 | Very high | 38 Ų | 38 | 18.8 Ų | 18.8 | 18% | 0.178 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -71.8 | -21.4 | -179.1 | -68.3 | -65.8 | 139.9 | 0 | 0 | 112.6 | A132 K134 G135 H136 G137 A138 L228 G234 | A132-E232 HydrophobicContact CB-CB 4.04Å; A132-E232 HydrophobicContact CB-CG 4.06Å; K134-E232 WeakPolarHBondContact CA-OE1 3.46Å; G135-E232 WeakPolarHBondContact CA-OE2 3.12Å; G135-E232 PolarHBondContact N-OE1 3.11Å; G135-E232 PolarHBondContact N-OE2 3.2Å; H136-E232 PolarHBondContact N-OE2 3.35Å; H136-E232 VanDerWaalsContact N-OE2 3.09Å; G137-E232 PolarHBondContact N-OE2 3.26Å; A138-E232 HydrophobicContact CB-CB 4.06Å; L228-E232 HydrophobicContact CD1-CG 3.86Å; L228-E232 HydrophobicContact CG-CG 4.13Å; L228-E232 WeakPolarHBondContact O-CB 3.42Å; L228-E232 WeakPolarHBondContact O-CG 2.98Å; L228-E232 PolarHBondContact O-N 3.41Å; E232-G234 PolarHBondContact O-N 2.93Å |
| 233 | A | 98.9 | Very high | 97.3 | Very high | 7 Ų | 7 | 24.2 Ų | 24.2 | 6% | 0.058 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 0.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A138 I145 Q146 V147 A206 I229 V230 Q231 | A138-A233 HydrophobicContact CB-CB 3.91Å; I145-A233 HydrophobicContact CG1-CB 4.3Å; Q146-A233 WeakPolarHBondContact CA-O 3.37Å; V147-A233 HydrophobicContact CG1-CB 4.19Å; V147-A233 PolarHBondContact N-O 2.81Å; A206-A233 HydrophobicContact CB-CB 3.81Å; A206-A233 WeakPolarHBondContact O-CB 3.43Å; I229-A233 VanDerWaalsContact O-CB 3.31Å; I229-A233 WeakPolarHBondContact O-CB 3.34Å; I229-A233 PolarHBondContact O-N 3.33Å; V230-A233 PolarHBondContact O-N 3.18Å; Q231-A233 VanDerWaalsContact C-N 3.27Å; Q231-A233 PolarHBondContact O-N 2.97Å |
| 234 | G | 98.7 | Very high | 97.2 | Very high | 42 Ų | 42 | 29.8 Ų | 29.8 | 43% | 0.433 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 12.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | V230 Q231 E232 | V230-G234 PolarHBondContact O-N 3.17Å; Q231-G234 WeakPolarHBondContact O-CA 3.38Å; Q231-G234 PolarHBondContact O-N 3.5Å; E232-G234 PolarHBondContact O-N 2.93Å |
| 235 | G | 98.7 | Very high | 97 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 7% | 0.072 | 19% | 0.189 | C | C | . | . | trans | -79.3 | 173.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V230 T255 | V230-G235 WeakPolarHBondContact O-CA 3Å; V230-G235 PolarHBondContact O-N 3.49Å; G235-T255 CarbonylContact C-O 3.53Å; G235-T255 WeakPolarHBondContact CA-O 3.3Å | ||
| 236 | Q | 98.3 | Very high | 96.8 | Very high | 83 Ų | 83 | 34.3 Ų | 34.3 | 39% | 0.388 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 140.8 | 172.7 | -51.7 | -57.1 | -60.9 | 0 | 0 | 109.6 | A254 T255 | Q236-A254 CarbonylContact O-C 3.44Å; Q236-A254 WeakPolarHBondContact O-CA 3.32Å; Q236-T255 PolarHBondContact N-O 2.81Å; Q236-T255 PolarHBondContact O-N 2.8Å |
| 237 | V | 98.2 | Very high | 96.7 | Very high | 20 Ų | 20 | 34.9 Ų | 34.9 | 12% | 0.121 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 127.7 | 169.6 | -63.8 | 0 | 0 | 0 | 0 | 108.7 | L227 V230 Q231 V245 I252 A254 | L227-V237 HydrophobicContact CD2-CB 3.92Å; L227-V237 HydrophobicContact CD2-CG1 3.94Å; L227-V237 HydrophobicContact CD2-CG2 4.33Å; V230-V237 HydrophobicContact CB-CG1 3.83Å; V230-V237 HydrophobicContact CG1-CG1 3.64Å; Q231-V237 HydrophobicContact CG-CG1 4.39Å; Q231-V237 HydrophobicContact CG-CG2 3.52Å; V237-V245 HydrophobicContact CB-CG1 4.45Å; V237-V245 HydrophobicContact CG2-CG1 4.01Å; V237-I252 HydrophobicContact CB-CD1 4.44Å; V237-A254 HydrophobicContact CG1-CB 4.3Å |
| 238 | S | 97.4 | Very high | 96.5 | Very high | 8 Ų | 8 | 35.8 Ų | 35.8 | 6% | 0.056 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 169 | 177.7 | 66.8 | 0 | 0 | 0 | 0 | 109.2 | K243 I252 L253 | S238-K243 CarbonylContact C-O 3.59Å; S238-K243 VanDerWaalsContact CA-O 3.3Å; S238-K243 WeakPolarHBondContact CA-O 3.43Å; S238-K243 VanDerWaalsContact CB-O 3.23Å; S238-K243 WeakPolarHBondContact CB-O 3.26Å; S238-I252 WeakPolarHBondContact O-CD1 3.4Å; S238-L253 PolarHBondContact N-O 3.08Å; S238-L253 PolarHBondContact O-N 3.01Å |
| 239 | D | 94.2 | Very high | 96.3 | Very high | 11 Ų | 11 | 36.2 Ų | 36.2 | 6% | 0.059 | 22% | 0.217 | C | C | . | . | trans | -70.1 | 172.7 | 159.2 | 84.3 | -3.1 | 0 | 0 | 0 | 110.1 | T241 G242 K243 R251 | D239-T241 PolarHBondContact O-N 3.37Å; D239-T241 VanDerWaalsContact OD1-CA 3.26Å; D239-T241 WeakPolarHBondContact OD1-CA 3.34Å; D239-T241 WeakPolarHBondContact OD1-CB 3.48Å; D239-T241 PolarHBondContact OD1-N 2.94Å; D239-T241 PolarHBondContact OD1-OG1 2.73Å; D239-T241 PolarHBondContact OD2-OG1 2.71Å; D239-G242 PolarHBondContact O-N 2.81Å; D239-G242 PolarHBondContact OD1-N 3.49Å; D239-K243 PolarHBondContact N-O 3.23Å; D239-K243 PolarHBondContact OD1-N 3.48Å; D239-R251 HydrophobicContact CB-CG 4.03Å; D239-R251 IonicContact OD2-CZ 3.5Å; D239-R251 IonicContact OD2-NE 3.7Å; D239-R251 PolarHBondContact OD2-NE 3.21Å; D239-R251 IonicContact OD2-NH2 2.67Å; D239-R251 PolarHBondContact OD2-NH2 3Å | ||
| 240 | A | 92.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -9.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | L214 F216 R251 I268 V270 | L214-A240 HydrophobicContact CD1-CB 4.07Å; F216-A240 HydrophobicContact CD1-CB 4.23Å; F216-A240 HydrophobicContact CE1-CB 3.35Å; F216-A240 HydrophobicContact CZ-CB 3.71Å; A240-R251 HydrophobicContact CB-CB 4.43Å; A240-I268 HydrophobicContact CB-CD1 4.22Å; A240-V270 HydrophobicContact CB-CG2 4.22Å |
| 241 | T | 92.5 | Very high | 95.9 | Very high | 51 Ų | 51 | 39.7 Ų | 39.7 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -3.5 | 172.2 | 72.6 | 0 | 0 | 0 | 0 | 112.8 | D239 K243 V270 | D239-T241 PolarHBondContact O-N 3.37Å; D239-T241 VanDerWaalsContact OD1-CA 3.26Å; D239-T241 WeakPolarHBondContact OD1-CA 3.34Å; D239-T241 WeakPolarHBondContact OD1-CB 3.48Å; D239-T241 PolarHBondContact OD1-N 2.94Å; D239-T241 PolarHBondContact OD1-OG1 2.73Å; D239-T241 PolarHBondContact OD2-OG1 2.71Å; T241-K243 VanDerWaalsContact C-N 3.34Å; T241-K243 WeakPolarHBondContact OG1-CD 3.23Å; T241-K243 WeakPolarHBondContact OG1-CG 3.25Å; T241-V270 HydrophobicContact CG2-CB 4.45Å; T241-V270 HydrophobicContact CG2-CG1 4.13Å; T241-V270 HydrophobicContact CG2-CG2 3.86Å |
| 242 | G | 92.6 | Very high | 95.8 | Very high | 39 Ų | 39 | 36.5 Ų | 36.5 | 40% | 0.402 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 82.7 | 6.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D239 | D239-G242 PolarHBondContact O-N 2.81Å; D239-G242 PolarHBondContact OD1-N 3.49Å |
| 243 | K | 94.5 | Very high | 95.7 | Very high | 131 Ų | 131 | 34.7 Ų | 34.7 | 57% | 0.57 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -82.9 | 164.9 | 174.8 | -68.3 | 176.3 | -172.7 | 174.5 | 0 | 110.6 | S238 D239 T241 V245 | S238-K243 CarbonylContact C-O 3.59Å; S238-K243 VanDerWaalsContact CA-O 3.3Å; S238-K243 WeakPolarHBondContact CA-O 3.43Å; S238-K243 VanDerWaalsContact CB-O 3.23Å; S238-K243 WeakPolarHBondContact CB-O 3.26Å; D239-K243 PolarHBondContact N-O 3.23Å; D239-K243 PolarHBondContact OD1-N 3.48Å; T241-K243 VanDerWaalsContact C-N 3.34Å; T241-K243 WeakPolarHBondContact OG1-CD 3.23Å; T241-K243 WeakPolarHBondContact OG1-CG 3.25Å; K243-V245 PolarHBondContact O-N 3.37Å |
| 244 | P | 95.3 | Very high | 95.7 | Very high | 118 Ų | 118 | 34.4 Ų | 34.4 | 77% | 0.766 | 20% | 0.204 | S | C | * | . | B | Isolated β-bridge | trans | -49.4 | 135.1 | 172.3 | -28.1 | 36.1 | 0 | 0 | 0 | 111.5 | D246 | P244-D246 PolarHBondContact O-N 3.39Å |
| 245 | V | 95 | Very high | 95.7 | Very high | 36 Ų | 36 | 32.4 Ų | 32.4 | 22% | 0.218 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 129.8 | -179.8 | 64.2 | 0 | 0 | 0 | 0 | 110.3 | L227 V237 K243 I252 | L227-V245 HydrophobicContact CD1-CG1 4.13Å; L227-V245 HydrophobicContact CD1-CG2 4.09Å; L227-V245 HydrophobicContact CD2-CG1 4.27Å; L227-V245 HydrophobicContact CD2-CG2 4.07Å; V237-V245 HydrophobicContact CB-CG1 4.45Å; V237-V245 HydrophobicContact CG2-CG1 4.01Å; K243-V245 PolarHBondContact O-N 3.37Å; V245-I252 HydrophobicContact CG2-CD1 3.85Å |
| 246 | D | 95.1 | Very high | 95.7 | Very high | 59 Ų | 59 | 32.3 Ų | 32.3 | 32% | 0.316 | 18% | 0.181 | S | C | . | . | trans | -96.6 | 115.1 | 162.9 | -178.5 | -5.1 | 0 | 0 | 0 | 107.2 | P244 M248 G249 K275 | P244-D246 PolarHBondContact O-N 3.39Å; D246-M248 PolarHBondContact O-N 2.93Å; D246-M248 VanDerWaalsContact O-N 3.17Å; D246-M248 PolarHBondContact OD1-N 3.09Å; D246-G249 WeakPolarHBondContact O-CA 3.43Å; D246-G249 PolarHBondContact O-N 3.41Å; D246-K275 WeakPolarHBondContact OD2-CE 3.48Å; D246-K275 IonicContact OD2-NZ 2.68Å; D246-K275 PolarHBondContact OD2-NZ 3.21Å | ||
| 247 | V | 96.3 | Very high | 95.7 | Very high | 12 Ų | 12 | 29 Ų | 29 | 7% | 0.073 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -24 | -177.9 | 69.7 | 0 | 0 | 0 | 0 | 112.2 | L80 Y111 C220 I223 A224 L227 | L80-V247 HydrophobicContact CD2-CG1 3.59Å; Y111-V247 HydrophobicContact CE1-CB 4.43Å; Y111-V247 HydrophobicContact CE1-CG1 4.09Å; Y111-V247 HydrophobicContact CE1-CG2 4.43Å; C220-V247 WeakPolarHBondContact CA-O 3.49Å; C220-V247 HydrophobicContact CB-CG2 4.09Å; C220-V247 VanDerWaalsContact CB-O 3.29Å; C220-V247 WeakPolarHBondContact CB-O 3.37Å; I223-V247 HydrophobicContact CD1-CG2 4.39Å; I223-V247 HydrophobicContact CG1-CG2 4.16Å; A224-V247 HydrophobicContact CB-CG2 4.1Å; L227-V247 HydrophobicContact CD1-CB 4.27Å; L227-V247 HydrophobicContact CD1-CG2 4.01Å |
| 248 | M | 95 | Very high | 95.7 | Very high | 22 Ų | 22 | 31.4 Ų | 31.4 | 11% | 0.108 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -0.1 | 175.6 | -50.5 | -58.3 | -76.3 | 0 | 0 | 112.2 | L80 C220 D246 R250 K275 D276 | L80-M248 HydrophobicContact CB-SD 4.32Å; C220-M248 HydrophobicContact CB-SD 3.6Å; C220-M248 VanDerWaalsContact CB-SD 3.6Å; D246-M248 PolarHBondContact O-N 2.93Å; D246-M248 VanDerWaalsContact O-N 3.17Å; D246-M248 PolarHBondContact OD1-N 3.09Å; M248-R250 VanDerWaalsContact C-N 3.33Å; M248-R250 PolarHBondContact O-N 2.95Å; M248-K275 VanDerWaalsContact O-CA 3.27Å; M248-K275 WeakPolarHBondContact O-CA 3.39Å; M248-K275 VanDerWaalsContact O-CB 3.27Å; M248-K275 WeakPolarHBondContact O-CB 3.25Å; M248-D276 HydrophobicContact CB-CB 4.3Å; M248-D276 HydrophobicContact CE-CB 3.41Å; M248-D276 VanDerWaalsContact CE-CB 3.41Å; M248-D276 PolarHBondContact O-N 3.47Å; M248-D276 HydrophobicContact SD-CB 4.33Å |
| 249 | G | 94.1 | Very high | 95.7 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 10% | 0.103 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -82.1 | -1.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | D246 R251 | D246-G249 WeakPolarHBondContact O-CA 3.43Å; D246-G249 PolarHBondContact O-N 3.41Å; G249-R251 PolarHBondContact O-N 3.45Å; G249-R251 VanDerWaalsContact O-N 3.17Å |
| 250 | R | 94 | Very high | 95.9 | Very high | 32 Ų | 32 | 34.2 Ų | 34.2 | 12% | 0.121 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 57.4 | 23.1 | 179.6 | -49.2 | -72.5 | -59 | -88.2 | 0.4 | 116.6 | F216 G217 L218 H219 M248 L273 E274 D276 | F216-R250 CarbonylContact C-O 3.54Å; F216-R250 WeakPolarHBondContact CA-O 3.45Å; G217-R250 PolarHBondContact N-O 3.38Å; G217-R250 PolarHBondContact O-NE 2.91Å; G217-R250 PolarHBondContact O-NH2 2.93Å; L218-R250 WeakPolarHBondContact O-CA 3.36Å; L218-R250 WeakPolarHBondContact O-CB 3.18Å; L218-R250 WeakPolarHBondContact O-CD 3.46Å; L218-R250 PolarHBondContact O-NE 2.73Å; H219-R250 PolarHBondContact CE1-NH1 3.44Å; H219-R250 PolarHBondContact CE1-NH2 3.3Å; H219-R250 PolarHBondContact NE2-NH2 2.81Å; M248-R250 VanDerWaalsContact C-N 3.33Å; M248-R250 PolarHBondContact O-N 2.95Å; R250-L273 HydrophobicContact CB-CB 4.08Å; R250-L273 HydrophobicContact CB-CD1 3.92Å; R250-L273 WeakPolarHBondContact O-CD1 3.18Å; R250-E274 WeakPolarHBondContact CG-O 3.21Å; R250-D276 WeakPolarHBondContact CD-OD1 3.45Å; R250-D276 IonicContact NE-OD1 3.75Å; R250-D276 IonicContact NH1-OD1 3.18Å |
| 251 | R | 94 | Very high | 96.2 | Very high | 40 Ų | 40 | 34.9 Ų | 34.9 | 15% | 0.151 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 134.1 | -179.7 | 65.3 | -168.3 | -163.8 | -171.9 | 3 | 111.2 | F216 D239 A240 G249 E272 | F216-R251 HydrophobicContact CD1-CB 3.87Å; F216-R251 HydrophobicContact CE1-CB 4.48Å; D239-R251 HydrophobicContact CB-CG 4.03Å; D239-R251 IonicContact OD2-CZ 3.5Å; D239-R251 IonicContact OD2-NE 3.7Å; D239-R251 PolarHBondContact OD2-NE 3.21Å; D239-R251 IonicContact OD2-NH2 2.67Å; D239-R251 PolarHBondContact OD2-NH2 3Å; A240-R251 HydrophobicContact CB-CB 4.43Å; G249-R251 PolarHBondContact O-N 3.45Å; G249-R251 VanDerWaalsContact O-N 3.17Å; R251-E272 IonicContact NH1-OE1 2.6Å; R251-E272 PolarHBondContact NH1-OE1 3.47Å; R251-E272 IonicContact NH1-OE2 2.87Å |
| 252 | I | 96.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 139.5 | -175 | -174.6 | 54.4 | 0 | 0 | 0 | 111.3 | L202 Y213 E215 L218 I223 L227 V237 S238 V245 | L202-I252 HydrophobicContact CD2-CG1 4.31Å; Y213-I252 HydrophobicContact CD1-CG2 4.44Å; Y213-I252 HydrophobicContact CE1-CG2 4.03Å; E215-I252 HydrophobicContact CB-CG2 4.36Å; E215-I252 PolarHBondContact N-O 3.2Å; E215-I252 PolarHBondContact O-N 2.97Å; L218-I252 HydrophobicContact CD1-CG2 3.59Å; I223-I252 HydrophobicContact CG2-CB 4.46Å; I223-I252 HydrophobicContact CG2-CG2 4.21Å; L227-I252 HydrophobicContact CD2-CD1 3.36Å; L227-I252 HydrophobicContact CD2-CG1 4.2Å; V237-I252 HydrophobicContact CB-CD1 4.44Å; S238-I252 WeakPolarHBondContact O-CD1 3.4Å; V245-I252 HydrophobicContact CG2-CD1 3.85Å |
| 253 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 113.3 | 161.1 | 174.5 | 57.6 | 0 | 0 | 0 | 108 | Y213 L214 S238 T255 T261 I264 T265 | Y213-L253 WeakPolarHBondContact O-CA 3.43Å; L214-L253 HydrophobicContact CB-CD1 4.32Å; L214-L253 HydrophobicContact CD1-CB 4.45Å; S238-L253 PolarHBondContact N-O 3.08Å; S238-L253 PolarHBondContact O-N 3.01Å; L253-T255 HydrophobicContact CD1-CG2 3.64Å; L253-T255 HydrophobicContact CD2-CG2 4.44Å; L253-T255 HydrophobicContact CG-CG2 3.85Å; L253-T261 HydrophobicContact CD2-CG2 3.85Å; L253-I264 HydrophobicContact CD1-CB 4.44Å; L253-I264 HydrophobicContact CD1-CD1 4Å; L253-I264 HydrophobicContact CD1-CG2 3.94Å; L253-I264 HydrophobicContact CD2-CB 4.26Å; L253-I264 HydrophobicContact CD2-CG2 4.05Å; L253-T265 HydrophobicContact CD2-CG2 3.64Å |
| 254 | A | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | L202 A212 Y213 V230 Q236 V237 | L202-A254 HydrophobicContact CD2-CB 3.46Å; L202-A254 VanDerWaalsContact CD2-CB 3.46Å; A212-A254 CarbonylContact C-O 3.54Å; A212-A254 WeakPolarHBondContact CA-O 3.43Å; A212-A254 WeakPolarHBondContact CB-O 3.43Å; Y213-A254 PolarHBondContact N-O 3.41Å; Y213-A254 PolarHBondContact O-N 3.48Å; V230-A254 HydrophobicContact CG1-CB 4.3Å; V230-A254 HydrophobicContact CG2-CB 4.35Å; Q236-A254 CarbonylContact O-C 3.44Å; Q236-A254 WeakPolarHBondContact O-CA 3.32Å; V237-A254 HydrophobicContact CG1-CB 4.3Å |
| 255 | T | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 162.2 | -178.6 | 71.5 | 0 | 0 | 0 | 0 | 111.8 | D211 A212 G235 Q236 L253 T257 T261 I264 | D211-T255 CarbonylContact O-C 3.56Å; D211-T255 WeakPolarHBondContact O-CA 3.28Å; A212-T255 HydrophobicContact CB-CG2 3.84Å; G235-T255 CarbonylContact C-O 3.53Å; G235-T255 WeakPolarHBondContact CA-O 3.3Å; Q236-T255 PolarHBondContact N-O 2.81Å; Q236-T255 PolarHBondContact O-N 2.8Å; L253-T255 HydrophobicContact CD1-CG2 3.64Å; L253-T255 HydrophobicContact CD2-CG2 4.44Å; L253-T255 HydrophobicContact CG-CG2 3.85Å; T255-T257 PolarHBondContact OG1-O 2.85Å; T255-T261 WeakPolarHBondContact CG2-OG1 3.36Å; T255-T261 PolarHBondContact OG1-OG1 3.49Å; T255-I264 HydrophobicContact CG2-CD1 4.12Å |
| 256 | S | 98.6 | Very high | 96.9 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 4% | 0.035 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -71.2 | -31.8 | 172.5 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | V147 S148 T150 D211 | V147-S256 WeakPolarHBondContact CG2-O 3.13Å; S148-S256 WeakPolarHBondContact O-CB 3.42Å; S148-S256 WeakPolarHBondContact OG-CB 3.46Å; S148-S256 PolarHBondContact OG-OG 3.38Å; T150-S256 PolarHBondContact O-OG 3.4Å; D211-S256 PolarHBondContact O-N 2.7Å; D211-S256 PolarHBondContact O-OG 3.06Å; D211-S256 VanDerWaalsContact O-OG 3.14Å |
| 257 | T | 98.6 | Very high | 97 | Very high | 14 Ų | 14 | 30.8 Ų | 30.8 | 9% | 0.086 | 16% | 0.161 | C | C | . | . | trans | -145.4 | 153.7 | -174.5 | 67.3 | 0 | 0 | 0 | 0 | 112.6 | T150 K151 T255 E259 L260 T261 | T150-T257 WeakPolarHBondContact O-CG2 3.1Å; T150-T257 PolarHBondContact O-OG1 3.35Å; K151-T257 HydrophobicContact CG-CG2 4.18Å; T255-T257 PolarHBondContact OG1-O 2.85Å; T257-E259 VanDerWaalsContact C-N 3.26Å; T257-E259 PolarHBondContact O-N 3.37Å; T257-L260 PolarHBondContact O-N 2.89Å; T257-L260 WeakPolarHBondContact OG1-CB 3.48Å; T257-L260 PolarHBondContact OG1-N 3.48Å; T257-T261 PolarHBondContact O-N 3.4Å; T257-T261 PolarHBondContact O-OG1 3.26Å | ||
| 258 | S | 97.8 | Very high | 97 | Very high | 70 Ų | 70 | 30.9 Ų | 30.9 | 49% | 0.49 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.9 | -34.3 | 175.7 | 44.9 | 0 | 0 | 0 | 0 | 113.2 | L260 T261 K262 | S258-L260 VanDerWaalsContact C-N 3.34Å; S258-T261 WeakPolarHBondContact O-CB 3.23Å; S258-T261 PolarHBondContact O-N 2.88Å; S258-K262 PolarHBondContact O-N 2.89Å |
| 259 | E | 98.2 | Very high | 97 | Very high | 79 Ų | 79 | 33.5 Ų | 33.5 | 37% | 0.369 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 177 | -63.9 | 93.4 | 134.8 | 0 | 0 | 110.8 | K151 T257 K262 A263 | K151-E259 HydrophobicContact CB-CB 3.96Å; K151-E259 HydrophobicContact CD-CG 4.33Å; K151-E259 WeakPolarHBondContact CD-OE1 3.42Å; K151-E259 VanDerWaalsContact CE-OE1 3.26Å; K151-E259 WeakPolarHBondContact CE-OE1 3.23Å; K151-E259 HydrophobicContact CG-CB 4.32Å; K151-E259 HydrophobicContact CG-CG 4.5Å; K151-E259 IonicContact NZ-OE1 2.78Å; K151-E259 PolarHBondContact NZ-OE1 3.01Å; T257-E259 VanDerWaalsContact C-N 3.26Å; T257-E259 PolarHBondContact O-N 3.37Å; E259-K262 PolarHBondContact O-N 3.39Å; E259-A263 WeakPolarHBondContact O-CB 3.25Å; E259-A263 PolarHBondContact O-N 3.31Å |
| 260 | L | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.3 | -37.6 | 175.7 | -174.4 | 59.4 | 0 | 0 | 0 | 111.8 | L153 A156 D211 A212 T257 S258 K262 A263 I264 | L153-L260 HydrophobicContact CB-CD1 4.45Å; L153-L260 HydrophobicContact CD1-CD1 4.13Å; A156-L260 HydrophobicContact CB-CD1 4.01Å; A156-L260 HydrophobicContact CB-CD2 4.17Å; D211-L260 HydrophobicContact CB-CD2 3.82Å; D211-L260 VanDerWaalsContact O-CD2 3.3Å; D211-L260 WeakPolarHBondContact O-CD2 3.39Å; A212-L260 HydrophobicContact CB-CD2 3.98Å; A212-L260 HydrophobicContact CB-CG 4.49Å; T257-L260 PolarHBondContact O-N 2.89Å; T257-L260 WeakPolarHBondContact OG1-CB 3.48Å; T257-L260 PolarHBondContact OG1-N 3.48Å; S258-L260 VanDerWaalsContact C-N 3.34Å; L260-K262 VanDerWaalsContact C-N 3.34Å; L260-K262 PolarHBondContact O-N 2.93Å; L260-A263 PolarHBondContact O-N 2.98Å; L260-I264 HydrophobicContact CD1-CD1 4.12Å; L260-I264 HydrophobicContact CD1-CG1 4.28Å; L260-I264 HydrophobicContact CG-CD1 3.97Å; L260-I264 WeakPolarHBondContact O-CG1 3.5Å; L260-I264 PolarHBondContact O-N 3.31Å |
| 261 | T | 98.1 | Very high | 96.8 | Very high | 15 Ų | 15 | 34 Ų | 34 | 9% | 0.092 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -54.3 | -53 | 171.3 | -57.9 | 0 | 0 | 0 | 0 | 110.4 | L253 T255 T257 S258 A263 I264 T265 | L253-T261 HydrophobicContact CD2-CG2 3.85Å; T255-T261 WeakPolarHBondContact CG2-OG1 3.36Å; T255-T261 PolarHBondContact OG1-OG1 3.49Å; T257-T261 PolarHBondContact O-N 3.4Å; T257-T261 PolarHBondContact O-OG1 3.26Å; S258-T261 WeakPolarHBondContact O-CB 3.23Å; S258-T261 PolarHBondContact O-N 2.88Å; T261-A263 PolarHBondContact O-N 3.46Å; T261-I264 PolarHBondContact O-N 3.18Å; T261-T265 HydrophobicContact CG2-CG2 4.36Å; T261-T265 WeakPolarHBondContact O-CG2 3.11Å; T261-T265 PolarHBondContact O-N 3.47Å; T261-T265 PolarHBondContact O-OG1 3.49Å |
| 262 | K | 97.4 | Very high | 96.4 | Very high | 132 Ų | 132 | 38.7 Ų | 38.7 | 57% | 0.574 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -57.5 | -49.4 | 179.3 | -177.9 | 175.7 | 173.4 | 179 | 0 | 111.3 | S258 E259 L260 I264 T265 E266 | S258-K262 PolarHBondContact O-N 2.89Å; E259-K262 PolarHBondContact O-N 3.39Å; L260-K262 VanDerWaalsContact C-N 3.34Å; L260-K262 PolarHBondContact O-N 2.93Å; K262-I264 VanDerWaalsContact C-N 3.27Å; K262-I264 PolarHBondContact O-N 3.41Å; K262-T265 WeakPolarHBondContact CA-OG1 3.47Å; K262-T265 PolarHBondContact O-N 2.88Å; K262-T265 PolarHBondContact O-OG1 2.95Å; K262-E266 WeakPolarHBondContact CE-OE1 3.32Å; K262-E266 HydrophobicContact CG-CG 4.49Å; K262-E266 IonicContact NZ-OE1 2.73Å; K262-E266 WeakPolarHBondContact O-CG 3.45Å; K262-E266 PolarHBondContact O-N 3.48Å; K262-E266 VanDerWaalsContact O-N 3.08Å |
| 263 | A | 97.1 | Very high | 96 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 19% | 0.19 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.9 | -34.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L153 E259 L260 T261 V267 | L153-A263 HydrophobicContact CB-CB 4.25Å; E259-A263 WeakPolarHBondContact O-CB 3.25Å; E259-A263 PolarHBondContact O-N 3.31Å; L260-A263 PolarHBondContact O-N 2.98Å; T261-A263 PolarHBondContact O-N 3.46Å; A263-V267 VanDerWaalsContact O-CG2 3.26Å; A263-V267 WeakPolarHBondContact O-CG2 3.35Å |
| 264 | I | 97.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -75.2 | -47.5 | 176.3 | -68.2 | 168.7 | 0 | 0 | 0 | 110.6 | L153 L158 A212 L214 L253 T255 L260 T261 K262 E266 V267 I268 | L153-I264 HydrophobicContact CD1-CG1 3.87Å; L158-I264 HydrophobicContact CD2-CD1 4.08Å; L158-I264 HydrophobicContact CD2-CG1 4.39Å; A212-I264 HydrophobicContact CB-CD1 3.52Å; L214-I264 HydrophobicContact CD2-CG2 4.45Å; L253-I264 HydrophobicContact CD1-CB 4.44Å; L253-I264 HydrophobicContact CD1-CD1 4Å; L253-I264 HydrophobicContact CD1-CG2 3.94Å; L253-I264 HydrophobicContact CD2-CB 4.26Å; L253-I264 HydrophobicContact CD2-CG2 4.05Å; T255-I264 HydrophobicContact CG2-CD1 4.12Å; L260-I264 HydrophobicContact CD1-CD1 4.12Å; L260-I264 HydrophobicContact CD1-CG1 4.28Å; L260-I264 HydrophobicContact CG-CD1 3.97Å; L260-I264 WeakPolarHBondContact O-CG1 3.5Å; L260-I264 PolarHBondContact O-N 3.31Å; T261-I264 PolarHBondContact O-N 3.18Å; K262-I264 VanDerWaalsContact C-N 3.27Å; K262-I264 PolarHBondContact O-N 3.41Å; I264-E266 PolarHBondContact O-N 3.06Å; I264-V267 PolarHBondContact O-N 3.08Å; I264-I268 HydrophobicContact CG2-CD1 4.16Å; I264-I268 HydrophobicContact CG2-CG2 4.22Å; I264-I268 PolarHBondContact O-N 3.45Å |
| 265 | T | 97.2 | Very high | 95.2 | Very high | 37 Ų | 37 | 53.9 Ų | 53.9 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.8 | -25.9 | -178.6 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | L253 T261 K262 V267 | L253-T265 HydrophobicContact CD2-CG2 3.64Å; T261-T265 HydrophobicContact CG2-CG2 4.36Å; T261-T265 WeakPolarHBondContact O-CG2 3.11Å; T261-T265 PolarHBondContact O-N 3.47Å; T261-T265 PolarHBondContact O-OG1 3.49Å; K262-T265 WeakPolarHBondContact CA-OG1 3.47Å; K262-T265 PolarHBondContact O-N 2.88Å; K262-T265 PolarHBondContact O-OG1 2.95Å; T265-V267 PolarHBondContact O-N 2.71Å |
| 266 | E | 96.5 | Very high | 94.7 | Very high | 134 Ų | 134 | 57.2 Ų | 57.2 | 63% | 0.626 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -10.4 | 175.4 | -73.9 | 175.7 | 175.5 | 0 | 0 | 113.8 | K262 I264 | K262-E266 WeakPolarHBondContact CE-OE1 3.32Å; K262-E266 HydrophobicContact CG-CG 4.49Å; K262-E266 IonicContact NZ-OE1 2.73Å; K262-E266 WeakPolarHBondContact O-CG 3.45Å; K262-E266 PolarHBondContact O-N 3.48Å; K262-E266 VanDerWaalsContact O-N 3.08Å; I264-E266 PolarHBondContact O-N 3.06Å |
| 267 | V | 96 | Very high | 94.5 | Very high | 21 Ų | 21 | 59.9 Ų | 59.9 | 13% | 0.127 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -19.6 | -170.4 | 179.5 | 0 | 0 | 0 | 0 | 112.6 | L153 R183 I184 K187 A263 I264 T265 | L153-V267 HydrophobicContact CD2-CG2 4.27Å; R183-V267 HydrophobicContact CB-CG1 3.62Å; R183-V267 WeakPolarHBondContact CD-O 3.43Å; I184-V267 HydrophobicContact CG1-CG1 4.31Å; K187-V267 HydrophobicContact CD-CG2 4.43Å; K187-V267 HydrophobicContact CG-CG1 3.97Å; K187-V267 HydrophobicContact CG-CG2 4.07Å; A263-V267 VanDerWaalsContact O-CG2 3.26Å; A263-V267 WeakPolarHBondContact O-CG2 3.35Å; I264-V267 PolarHBondContact O-N 3.08Å; T265-V267 PolarHBondContact O-N 2.71Å |
| 268 | I | 96.4 | Very high | 94.3 | Very high | 14 Ų | 14 | 62.3 Ų | 62.3 | 7% | 0.072 | 32% | 0.315 | C | S | . | . | trans | -104.2 | 149.3 | -173.6 | 66.2 | 174.3 | 0 | 0 | 0 | 112.4 | N180 I184 L214 F216 A240 I264 | N180-I268 HydrophobicContact CB-CB 4.48Å; N180-I268 HydrophobicContact CB-CG2 4.24Å; N180-I268 WeakPolarHBondContact OD1-CA 3.43Å; I184-I268 HydrophobicContact CD1-CG2 3.82Å; I184-I268 HydrophobicContact CG1-CG2 4.07Å; L214-I268 HydrophobicContact CD1-CD1 3.77Å; L214-I268 HydrophobicContact CD2-CD1 3.77Å; L214-I268 HydrophobicContact CD2-CG2 3.86Å; L214-I268 HydrophobicContact CG-CD1 4.45Å; F216-I268 HydrophobicContact CZ-CD1 4.46Å; A240-I268 HydrophobicContact CB-CD1 4.22Å; I264-I268 HydrophobicContact CG2-CD1 4.16Å; I264-I268 HydrophobicContact CG2-CG2 4.22Å; I264-I268 PolarHBondContact O-N 3.45Å | ||
| 269 | D | 95.3 | Very high | 94.1 | Very high | 76 Ų | 76 | 61.8 Ų | 61.8 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | trans | -90.2 | 158.1 | 161.4 | -65.9 | -29.3 | 0 | 0 | 0 | 109.9 | V176 N180 R183 F216 | V176-D269 HydrophobicContact CG1-CB 4.16Å; N180-D269 PolarHBondContact ND2-O 3.05Å; N180-D269 PolarHBondContact OD1-N 2.93Å; R183-D269 IonicContact CZ-OD2 3.37Å; R183-D269 IonicContact NH1-OD1 3.94Å; R183-D269 IonicContact NH1-OD2 3.04Å; R183-D269 PolarHBondContact NH1-OD2 3.38Å; R183-D269 IonicContact NH2-OD2 2.71Å; R183-D269 PolarHBondContact NH2-OD2 3.08Å; F216-D269 WeakPolarHBondContact CZ-O 2.87Å | ||
| 270 | V | 93 | Very high | 93.9 | Very high | 44 Ų | 44 | 60.8 Ų | 60.8 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | trans | -108.9 | 139.6 | -177.9 | 175 | 0 | 0 | 0 | 0 | 110.5 | F216 A240 T241 | F216-V270 HydrophobicContact CE1-CB 4.39Å; F216-V270 HydrophobicContact CE1-CG1 4.14Å; F216-V270 HydrophobicContact CE1-CG2 4.48Å; A240-V270 HydrophobicContact CB-CG2 4.22Å; T241-V270 HydrophobicContact CG2-CB 4.45Å; T241-V270 HydrophobicContact CG2-CG1 4.13Å; T241-V270 HydrophobicContact CG2-CG2 3.86Å | ||
| 271 | I | 89.8 | Confident | 93.6 | Very high | 8 Ų | 8 | 64.6 Ų | 64.6 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | trans | -92 | 125.9 | 170.4 | -51.4 | 176.7 | 0 | 0 | 0 | 107.7 | A170 A173 V176 Y177 F216 L273 | A170-I271 HydrophobicContact CB-CG2 3.93Å; A173-I271 HydrophobicContact CB-CD1 4.27Å; V176-I271 HydrophobicContact CB-CD1 4Å; V176-I271 HydrophobicContact CB-CG1 3.77Å; V176-I271 HydrophobicContact CG1-CD1 3.97Å; V176-I271 HydrophobicContact CG1-CG1 3.44Å; V176-I271 VanDerWaalsContact CG1-CG1 3.44Å; V176-I271 HydrophobicContact CG2-CG1 4.3Å; Y177-I271 HydrophobicContact CD2-CD1 3.94Å; Y177-I271 HydrophobicContact CE2-CD1 3.62Å; F216-I271 HydrophobicContact CB-CB 4.46Å; F216-I271 HydrophobicContact CB-CD1 4.1Å; F216-I271 HydrophobicContact CD1-CB 4.1Å; F216-I271 HydrophobicContact CD1-CG1 4.31Å; F216-I271 HydrophobicContact CD2-CD1 4.11Å; F216-I271 HydrophobicContact CD2-CG1 4.43Å; F216-I271 HydrophobicContact CG-CB 4.31Å; F216-I271 HydrophobicContact CG-CD1 4.06Å; F216-I271 HydrophobicContact CG-CG1 4.21Å; I271-L273 HydrophobicContact CB-CG 4.46Å; I271-L273 HydrophobicContact CG2-CD1 4.44Å; I271-L273 HydrophobicContact CG2-CD2 3.82Å; I271-L273 HydrophobicContact CG2-CG 3.9Å | ||
| 272 | E | 87 | Confident | 93.3 | Very high | 140 Ų | 140 | 67.9 Ų | 67.9 | 65% | 0.654 | 34% | 0.336 | S | S | * | . | trans | -83 | 129 | 169.8 | -67.8 | -60 | 143.1 | 0 | 0 | 109.4 | R251 | R251-E272 IonicContact NH1-OE1 2.6Å; R251-E272 PolarHBondContact NH1-OE1 3.47Å; R251-E272 IonicContact NH1-OE2 2.87Å | ||
| 273 | L | 87.7 | Confident | 93 | Very high | 32 Ų | 32 | 63.4 Ų | 63.4 | 17% | 0.168 | 32% | 0.319 | C | S | . | . | trans | -136.8 | 147.8 | -171.9 | -65.9 | 169.3 | 0 | 0 | 0 | 109.8 | C169 F216 R250 I271 | C169-L273 HydrophobicContact CB-CD2 3.51Å; F216-L273 HydrophobicContact CB-CD1 4.05Å; R250-L273 HydrophobicContact CB-CB 4.08Å; R250-L273 HydrophobicContact CB-CD1 3.92Å; R250-L273 WeakPolarHBondContact O-CD1 3.18Å; I271-L273 HydrophobicContact CB-CG 4.46Å; I271-L273 HydrophobicContact CG2-CD1 4.44Å; I271-L273 HydrophobicContact CG2-CD2 3.82Å; I271-L273 HydrophobicContact CG2-CG 3.9Å | ||
| 274 | E | 88.1 | Confident | 92.7 | Very high | 166 Ų | 166 | 66.5 Ų | 66.5 | 78% | 0.776 | 33% | 0.328 | S | S | * | . | trans | -65.9 | 133.1 | 169.8 | -169.3 | 179.8 | -179.2 | 0 | 0 | 109.6 | R250 | R250-E274 WeakPolarHBondContact CG-O 3.21Š| ||
| 275 | K | 91.2 | Very high | 92.2 | Very high | 121 Ų | 121 | 71.9 Ų | 71.9 | 53% | 0.526 | 36% | 0.355 | S | S | . | . | trans | -67.8 | 158.4 | 176.3 | -61.6 | -167.6 | -177.7 | -172.5 | 0 | 111.1 | D246 M248 | D246-K275 WeakPolarHBondContact OD2-CE 3.48Å; D246-K275 IonicContact OD2-NZ 2.68Å; D246-K275 PolarHBondContact OD2-NZ 3.21Å; M248-K275 VanDerWaalsContact O-CA 3.27Å; M248-K275 WeakPolarHBondContact O-CA 3.39Å; M248-K275 VanDerWaalsContact O-CB 3.27Å; M248-K275 WeakPolarHBondContact O-CB 3.25Å | ||
| 276 | D | 88.8 | Confident | 91.8 | Very high | 70 Ų | 70 | 75.1 Ų | 75.1 | 37% | 0.374 | 37% | 0.367 | S | S | . | . | trans | -60.3 | 0 | 170.1 | -72.7 | -29.2 | 0 | 0 | 0 | 113.1 | H219 C220 M248 R250 | H219-D276 WeakPolarHBondContact CA-OD2 3.27Å; H219-D276 IonicContact CE1-OD1 2.7Å; H219-D276 PolarHBondContact CE1-OD1 3.05Å; H219-D276 IonicContact CG-OD1 3.12Å; H219-D276 IonicContact ND1-OD1 3.75Å; H219-D276 PolarHBondContact ND1-OD1 3.1Å; H219-D276 IonicContact ND1-OD2 3.81Å; C220-D276 PolarHBondContact N-OD2 2.75Å; M248-D276 HydrophobicContact CB-CB 4.3Å; M248-D276 HydrophobicContact CE-CB 3.41Å; M248-D276 VanDerWaalsContact CE-CB 3.41Å; M248-D276 PolarHBondContact O-N 3.47Å; M248-D276 HydrophobicContact SD-CB 4.33Å; R250-D276 WeakPolarHBondContact CD-OD1 3.45Å; R250-D276 IonicContact NE-OD1 3.75Å; R250-D276 IonicContact NH1-OD1 3.18Å |
Retrieved 276 of 276 residues in 656 ms
(Link to these results)