| 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 | 53.3 | Low | 89.7 | Confident | 141 Ų | 141 | 78.9 Ų | 78.9 | 70% | 0.695 | 36% | 0.363 | S | S | * | . | 0 | 150.9 | 0 | -90.9 | 179.1 | 44.7 | 0 | 0 | 106.6 | D151 D152 D153 | M1-D151 PolarHBondContact N-O 3.09Å; M1-D151 CarbonylContact O-C 3.53Å; M1-D152 CarbonylContact O-C 3.31Å; M1-D153 VanDerWaalsContact C-OD1 3.28Å; M1-D153 WeakPolarHBondContact CB-OD1 3.49Å; M1-D153 WeakPolarHBondContact CE-OD1 3.34Å | |||
| 2 | P | 84.9 | Confident | 90 | Very high | 7 Ų | 7 | 76.7 Ų | 76.7 | 5% | 0.045 | 36% | 0.355 | C | S | . | . | trans | -114.4 | -166.9 | -133.2 | 10.5 | 13.3 | 0 | 0 | 0 | 112.3 | L4 R9 D148 | P2-L4 VanDerWaalsContact O-CG 3.32Å; P2-L4 WeakPolarHBondContact O-CG 3.5Å; P2-L4 PolarHBondContact O-N 3.23Å; P2-R9 HydrophobicContact CB-CG 3.92Å; P2-R9 HydrophobicContact CG-CB 4.02Å; P2-R9 HydrophobicContact CG-CG 3.56Å; P2-D148 WeakPolarHBondContact CB-OD1 3.25Å | ||
| 3 | L | 96.4 | Very high | 90 | Very high | 1 Ų | 1 | 78.8 Ų | 78.8 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 123.9 | 174.7 | -168.3 | 66.1 | 0 | 0 | 0 | 110.3 | R9 V10 V123 L144 F147 D148 I154 L156 | L3-R9 WeakPolarHBondContact O-CA 3.41Å; L3-V10 HydrophobicContact CG-CG2 4.33Å; L3-V10 WeakPolarHBondContact O-CG2 3.31Å; L3-V10 PolarHBondContact O-N 3.35Å; L3-V123 HydrophobicContact CD1-CG1 3.91Å; L3-L144 HydrophobicContact CD2-CB 4.37Å; L3-L144 HydrophobicContact CD2-CD2 3.66Å; L3-F147 HydrophobicContact CD1-CB 4.09Å; L3-D148 HydrophobicContact CB-CB 3.95Å; L3-D148 PolarHBondContact N-OD1 2.68Å; L3-I154 CarbonylContact C-O 3.56Å; L3-I154 WeakPolarHBondContact CA-O 3.4Å; L3-I154 HydrophobicContact CD1-CB 4.25Å; L3-I154 HydrophobicContact CD1-CG2 4Å; L3-L156 HydrophobicContact CD1-CB 4.01Å; L3-L156 HydrophobicContact CD2-CD2 4.47Å; L3-L156 HydrophobicContact CG-CB 4.25Å |
| 4 | L | 97.1 | Very high | 90 | Very high | 11 Ų | 11 | 79.4 Ų | 79.4 | 6% | 0.058 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139.7 | -173.9 | -55.8 | -177.4 | 0 | 0 | 0 | 112 | P2 R8 R9 D153 I154 H155 L156 | P2-L4 VanDerWaalsContact O-CG 3.32Å; P2-L4 WeakPolarHBondContact O-CG 3.5Å; P2-L4 PolarHBondContact O-N 3.23Å; L4-R8 CarbonylContact C-O 3.59Å; L4-R8 VanDerWaalsContact CA-O 3.28Å; L4-R8 WeakPolarHBondContact CA-O 3.25Å; L4-R9 HydrophobicContact CD2-CB 4.33Å; L4-D153 HydrophobicContact CD1-CB 3.9Å; L4-I154 PolarHBondContact N-O 2.69Å; L4-H155 CarbonylContact O-C 3.59Å; L4-H155 WeakPolarHBondContact O-CA 3.19Å; L4-L156 PolarHBondContact O-N 2.9Å |
| 5 | V | 96.5 | Very high | 90 | Very high | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130.4 | 162.8 | -174.4 | 0 | 0 | 0 | 0 | 107.9 | G7 R8 V10 H23 L26 L156 | V5-G7 PolarHBondContact O-N 3.35Å; V5-G7 VanDerWaalsContact O-N 3.07Å; V5-R8 PolarHBondContact N-O 2.92Å; V5-R8 PolarHBondContact O-N 3.46Å; V5-V10 HydrophobicContact CB-CG2 4.28Å; V5-V10 HydrophobicContact CG2-CG2 3.5Å; V5-H23 HydrophobicContact CG1-CB 3.68Å; V5-H23 VanDerWaalsContact CG1-ND1 3.26Å; V5-H23 WeakPolarHBondContact CG1-ND1 3.31Å; V5-L26 HydrophobicContact CG1-CD1 3.81Å; V5-L26 HydrophobicContact CG1-CD2 4.35Å; V5-L26 HydrophobicContact CG1-CG 3.89Å; V5-L26 HydrophobicContact CG2-CD1 3.92Å; V5-L156 HydrophobicContact CG2-CB 3.87Å; V5-L156 HydrophobicContact CG2-CD2 3.94Å; V5-L156 HydrophobicContact CG2-CG 4.25Å |
| 6 | D | 92.1 | Very high | 90 | Very high | 101 Ų | 101 | 71.3 Ų | 71.3 | 54% | 0.54 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 35.2 | -175.7 | -51.1 | -45.3 | 0 | 0 | 0 | 113.5 | R8 H23 S25 | D6-R8 VanDerWaalsContact C-N 3.32Å; D6-R8 PolarHBondContact O-N 3.22Å; D6-H23 IonicContact OD2-CG 3.43Å; D6-H23 IonicContact OD2-ND1 3.55Å; D6-H23 PolarHBondContact OD2-ND1 2.71Å; D6-S25 PolarHBondContact OD1-OG 3.07Å; D6-S25 PolarHBondContact OD2-OG 3.29Å |
| 7 | G | 91.9 | Very high | 90 | Very high | 53 Ų | 53 | 68.6 Ų | 68.6 | 55% | 0.546 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 8.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V5 | V5-G7 PolarHBondContact O-N 3.35Å; V5-G7 VanDerWaalsContact O-N 3.07Å |
| 8 | R | 93.5 | Very high | 90.2 | Very high | 193 Ų | 193 | 68.4 Ų | 68.4 | 73% | 0.728 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 140.6 | 178 | -61 | -178.3 | -176.8 | -171.2 | 1.2 | 110.8 | L4 V5 D6 V10 | L4-R8 CarbonylContact C-O 3.59Å; L4-R8 VanDerWaalsContact CA-O 3.28Å; L4-R8 WeakPolarHBondContact CA-O 3.25Å; V5-R8 PolarHBondContact N-O 2.92Å; V5-R8 PolarHBondContact O-N 3.46Å; D6-R8 VanDerWaalsContact C-N 3.32Å; D6-R8 PolarHBondContact O-N 3.22Å; R8-V10 PolarHBondContact O-N 2.95Å |
| 9 | R | 94.7 | Very high | 90.3 | Very high | 148 Ų | 148 | 64.9 Ų | 64.9 | 56% | 0.558 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 130.8 | 174 | 177.3 | 178.2 | -154.3 | 157.1 | 0.5 | 110.5 | P2 L3 L4 D148 | P2-R9 HydrophobicContact CB-CG 3.92Å; P2-R9 HydrophobicContact CG-CB 4.02Å; P2-R9 HydrophobicContact CG-CG 3.56Å; L3-R9 WeakPolarHBondContact O-CA 3.41Å; L4-R9 HydrophobicContact CD2-CB 4.33Å; R9-D148 IonicContact CZ-OD1 3.5Å; R9-D148 IonicContact CZ-OD2 3.21Å; R9-D148 IonicContact NE-OD1 3.4Å; R9-D148 PolarHBondContact NE-OD1 3.28Å; R9-D148 IonicContact NE-OD2 3.82Å; R9-D148 IonicContact NH2-OD1 2.73Å; R9-D148 PolarHBondContact NH2-OD1 2.91Å; R9-D148 IonicContact NH2-OD2 2.69Å; R9-D148 PolarHBondContact NH2-OD2 2.95Å |
| 10 | V | 93.4 | Very high | 90.3 | Very high | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.03 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 134.6 | 170.5 | -179.6 | 0 | 0 | 0 | 0 | 110 | L3 V5 R8 L12 L19 | L3-V10 HydrophobicContact CG-CG2 4.33Å; L3-V10 WeakPolarHBondContact O-CG2 3.31Å; L3-V10 PolarHBondContact O-N 3.35Å; V5-V10 HydrophobicContact CB-CG2 4.28Å; V5-V10 HydrophobicContact CG2-CG2 3.5Å; R8-V10 PolarHBondContact O-N 2.95Å; V10-L12 HydrophobicContact CG1-CD2 3.76Å; V10-L12 HydrophobicContact CG1-CG 4.07Å; V10-L19 HydrophobicContact CG1-CD1 4.13Å; V10-L19 HydrophobicContact CG1-CD2 3.4Å; V10-L19 HydrophobicContact CG1-CG 4.43Å |
| 11 | R | 92.6 | Very high | 90.3 | Very high | 207 Ų | 207 | 67.3 Ų | 67.3 | 78% | 0.781 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -88.5 | 122.2 | 170.6 | -66.3 | -178.7 | -179.2 | 174.5 | 0.5 | 108.5 | R14 | R11-R14 WeakPolarHBondContact O-CG 3.26Š|
| 12 | L | 93.2 | Very high | 92.2 | Very high | 52 Ų | 52 | 65.9 Ų | 65.9 | 27% | 0.272 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -115.6 | 153 | 177.1 | -63.7 | 177.4 | 0 | 0 | 0 | 110.7 | V10 L144 D148 | V10-L12 HydrophobicContact CG1-CD2 3.76Å; V10-L12 HydrophobicContact CG1-CG 4.07Å; L12-L144 HydrophobicContact CD1-CB 4.01Å; L12-L144 WeakPolarHBondContact CD1-O 3.21Å; L12-L144 HydrophobicContact CD2-CB 4.17Å; L12-L144 HydrophobicContact CD2-CD1 4.4Å; L12-D148 HydrophobicContact CD1-CB 3.68Å |
| 13 | P | 90.6 | Very high | 92.7 | Very high | 104 Ų | 104 | 66.8 Ų | 66.8 | 68% | 0.675 | 31% | 0.314 | S | S | * | . | S | Bend | cis | -78.2 | 146.7 | -0.7 | 33 | -34.9 | 0 | 0 | 0 | 112.8 | ||
| 14 | R | 89.8 | Confident | 92.6 | Very high | 88 Ų | 88 | 71.1 Ų | 71.1 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | trans | -146.8 | 148 | 174.4 | -75.3 | -68.1 | -167.2 | -135.4 | 5.2 | 109.1 | R11 E18 L19 | R11-R14 WeakPolarHBondContact O-CG 3.26Å; R14-E18 WeakPolarHBondContact CD-OE2 3.49Å; R14-L19 HydrophobicContact CB-CD1 4.45Å; R14-L19 HydrophobicContact CB-CD2 3.97Å; R14-L19 HydrophobicContact CB-CG 3.92Å; R14-L19 HydrophobicContact CG-CD2 4.21Å | ||
| 15 | S | 90.1 | Very high | 92.5 | Very high | 28 Ų | 28 | 72.7 Ų | 72.7 | 20% | 0.196 | 35% | 0.354 | C | S | . | . | trans | -67.9 | 159 | 167 | 60.4 | 0 | 0 | 0 | 0 | 111 | A17 E18 L19 | S15-A17 VanDerWaalsContact C-N 3.31Å; S15-A17 PolarHBondContact O-N 2.96Å; S15-E18 PolarHBondContact N-OE2 3.29Å; S15-E18 PolarHBondContact O-N 3.5Å; S15-E18 VanDerWaalsContact OG-CB 3.32Å; S15-E18 WeakPolarHBondContact OG-CB 3.3Å; S15-E18 WeakPolarHBondContact OG-CG 3.28Å; S15-E18 PolarHBondContact OG-N 3.14Å; S15-E18 PolarHBondContact OG-OE2 3.32Å; S15-L19 PolarHBondContact O-N 2.85Å | ||
| 16 | A | 90.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.008 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L19 V20 T140 L159 V161 E163 L164 | A16-L19 PolarHBondContact O-N 3.14Å; A16-V20 WeakPolarHBondContact O-CG2 3.46Å; A16-V20 PolarHBondContact O-N 3.06Å; A16-T140 HydrophobicContact CB-CG2 4.29Å; A16-L159 HydrophobicContact CB-CD2 3.93Å; A16-L159 HydrophobicContact CB-CG 4.29Å; A16-V161 HydrophobicContact CB-CG2 3.85Å; A16-E163 PolarHBondContact N-OE1 3.04Å; A16-E163 VanDerWaalsContact N-OE1 3.09Å; A16-L164 HydrophobicContact CB-CD1 3.75Å; A16-L164 HydrophobicContact CB-CG 4.36Å |
| 17 | A | 89.8 | Confident | 92.6 | Very high | 25 Ų | 25 | 72.8 Ų | 72.8 | 21% | 0.207 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.9 | -32.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S15 R21 E163 L164 | S15-A17 VanDerWaalsContact C-N 3.31Å; S15-A17 PolarHBondContact O-N 2.96Å; A17-R21 WeakPolarHBondContact O-CB 3.47Å; A17-R21 VanDerWaalsContact O-CG 3.24Å; A17-R21 WeakPolarHBondContact O-CG 3.28Å; A17-R21 PolarHBondContact O-N 3.31Å; A17-R21 PolarHBondContact O-NE 2.93Å; A17-E163 HydrophobicContact CB-CG 3.62Å; A17-E163 WeakPolarHBondContact CB-OE1 3.38Å; A17-E163 PolarHBondContact N-OE1 3.43Å; A17-L164 HydrophobicContact CB-CD2 4.46Å |
| 18 | E | 93.1 | Very high | 92.8 | Very high | 65 Ų | 65 | 74.1 Ų | 74.1 | 30% | 0.304 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.8 | -47.6 | 169.9 | -77.3 | 165.9 | 156.6 | 0 | 0 | 111.2 | R14 S15 V20 R21 E22 | R14-E18 WeakPolarHBondContact CD-OE2 3.49Å; S15-E18 PolarHBondContact N-OE2 3.29Å; S15-E18 PolarHBondContact O-N 3.5Å; S15-E18 VanDerWaalsContact OG-CB 3.32Å; S15-E18 WeakPolarHBondContact OG-CB 3.3Å; S15-E18 WeakPolarHBondContact OG-CG 3.28Å; S15-E18 PolarHBondContact OG-N 3.14Å; S15-E18 PolarHBondContact OG-OE2 3.32Å; E18-V20 VanDerWaalsContact C-N 3.33Å; E18-V20 PolarHBondContact O-N 3.43Å; E18-R21 VanDerWaalsContact CG-NH2 3.34Å; E18-R21 PolarHBondContact O-N 2.9Å; E18-E22 WeakPolarHBondContact O-CG 3.27Å; E18-E22 PolarHBondContact O-N 3.14Å |
| 19 | L | 92.5 | Very high | 93 | Very high | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 178.4 | -69 | 176.9 | 0 | 0 | 0 | 111.9 | V10 R14 S15 A16 E22 H23 L144 L159 | V10-L19 HydrophobicContact CG1-CD1 4.13Å; V10-L19 HydrophobicContact CG1-CD2 3.4Å; V10-L19 HydrophobicContact CG1-CG 4.43Å; R14-L19 HydrophobicContact CB-CD1 4.45Å; R14-L19 HydrophobicContact CB-CD2 3.97Å; R14-L19 HydrophobicContact CB-CG 3.92Å; R14-L19 HydrophobicContact CG-CD2 4.21Å; S15-L19 PolarHBondContact O-N 2.85Å; A16-L19 PolarHBondContact O-N 3.14Å; L19-E22 PolarHBondContact O-N 3.18Å; L19-H23 WeakPolarHBondContact O-CB 3.43Å; L19-H23 PolarHBondContact O-CD2 2.85Å; L19-H23 PolarHBondContact O-N 3.01Å; L19-L144 HydrophobicContact CD1-CD1 3.86Å; L19-L159 HydrophobicContact CB-CD2 4.09Å; L19-L159 HydrophobicContact CD1-CD2 4.06Å |
| 20 | V | 90.1 | Very high | 93 | Very high | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 179.1 | 167 | 0 | 0 | 0 | 0 | 112.3 | A16 E18 E22 H23 L26 E27 L159 L164 | A16-V20 WeakPolarHBondContact O-CG2 3.46Å; A16-V20 PolarHBondContact O-N 3.06Å; E18-V20 VanDerWaalsContact C-N 3.33Å; E18-V20 PolarHBondContact O-N 3.43Å; V20-E22 VanDerWaalsContact C-N 3.3Å; V20-E22 PolarHBondContact O-N 3.17Å; V20-H23 CarbonylContact O-C 3.41Å; V20-H23 VanDerWaalsContact O-C 3.3Å; V20-H23 PolarHBondContact O-N 3.4Å; V20-H23 VanDerWaalsContact O-N 3.16Å; V20-H23 VanDerWaalsContact O-O 3.05Å; V20-L26 HydrophobicContact CG2-CB 3.92Å; V20-E27 HydrophobicContact CG1-CB 3.46Å; V20-E27 VanDerWaalsContact CG1-CB 3.46Å; V20-E27 HydrophobicContact CG1-CG 3.79Å; V20-L159 HydrophobicContact CG2-CD2 4.31Å; V20-L164 HydrophobicContact CB-CD1 4.16Å; V20-L164 HydrophobicContact CB-CD2 4.16Å; V20-L164 HydrophobicContact CG1-CD2 4.2Å; V20-L164 HydrophobicContact CG2-CD1 3.37Å; V20-L164 HydrophobicContact CG2-CD2 4.19Å; V20-L164 HydrophobicContact CG2-CG 4.42Å |
| 21 | R | 91.4 | Very high | 93.2 | Very high | 175 Ų | 175 | 69.5 Ų | 69.5 | 66% | 0.66 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.2 | -32.3 | 176.9 | -76.1 | -177.4 | -63.7 | 164.9 | 0.1 | 113.3 | A17 E18 H23 | A17-R21 WeakPolarHBondContact O-CB 3.47Å; A17-R21 VanDerWaalsContact O-CG 3.24Å; A17-R21 WeakPolarHBondContact O-CG 3.28Å; A17-R21 PolarHBondContact O-N 3.31Å; A17-R21 PolarHBondContact O-NE 2.93Å; E18-R21 VanDerWaalsContact CG-NH2 3.34Å; E18-R21 PolarHBondContact O-N 2.9Å; R21-H23 VanDerWaalsContact C-N 3.29Å |
| 22 | E | 93.4 | Very high | 93.5 | Very high | 111 Ų | 111 | 63.9 Ų | 63.9 | 52% | 0.519 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -76.3 | -19.4 | 176.6 | -70.9 | -179.9 | -175.2 | 0 | 0 | 112.4 | E18 L19 V20 | E18-E22 WeakPolarHBondContact O-CG 3.27Å; E18-E22 PolarHBondContact O-N 3.14Å; L19-E22 PolarHBondContact O-N 3.18Å; V20-E22 VanDerWaalsContact C-N 3.3Å; V20-E22 PolarHBondContact O-N 3.17Å |
| 23 | H | 94.6 | Very high | 93.7 | Very high | 26 Ų | 26 | 61.8 Ų | 61.8 | 12% | 0.12 | 30% | 0.299 | C | S | . | . | trans | -132.5 | 91.8 | -171.6 | -66 | -80.2 | 0 | 0 | 0 | 112.2 | V5 D6 L19 V20 R21 S25 L26 E27 | V5-H23 HydrophobicContact CG1-CB 3.68Å; V5-H23 VanDerWaalsContact CG1-ND1 3.26Å; V5-H23 WeakPolarHBondContact CG1-ND1 3.31Å; D6-H23 IonicContact OD2-CG 3.43Å; D6-H23 IonicContact OD2-ND1 3.55Å; D6-H23 PolarHBondContact OD2-ND1 2.71Å; L19-H23 WeakPolarHBondContact O-CB 3.43Å; L19-H23 PolarHBondContact O-CD2 2.85Å; L19-H23 PolarHBondContact O-N 3.01Å; V20-H23 CarbonylContact O-C 3.41Å; V20-H23 VanDerWaalsContact O-C 3.3Å; V20-H23 PolarHBondContact O-N 3.4Å; V20-H23 VanDerWaalsContact O-N 3.16Å; V20-H23 VanDerWaalsContact O-O 3.05Å; R21-H23 VanDerWaalsContact C-N 3.29Å; H23-S25 PolarHBondContact O-N 3.03Å; H23-L26 HydrophobicContact CB-CB 4.41Å; H23-L26 HydrophobicContact CB-CD1 4.04Å; H23-L26 HydrophobicContact CB-CG 4.06Å; H23-L26 PolarHBondContact O-N 2.87Å; H23-E27 PolarHBondContact O-N 2.87Å | ||
| 24 | P | 93.8 | Very high | 94.1 | Very high | 91 Ų | 91 | 60.1 Ų | 60.1 | 59% | 0.591 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -55.4 | -27 | -178 | -27.9 | 35.2 | 0 | 0 | 0 | 114.7 | L26 E27 E28 | P24-L26 VanDerWaalsContact C-N 3.33Å; P24-E27 PolarHBondContact O-N 2.93Å; P24-E28 PolarHBondContact O-N 3.14Å |
| 25 | S | 95.2 | Very high | 94.4 | Very high | 44 Ų | 44 | 59.1 Ų | 59.1 | 31% | 0.308 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.6 | -35.7 | 176.5 | 59 | 0 | 0 | 0 | 0 | 112.6 | D6 H23 R29 | D6-S25 PolarHBondContact OD1-OG 3.07Å; D6-S25 PolarHBondContact OD2-OG 3.29Å; H23-S25 PolarHBondContact O-N 3.03Å; S25-R29 WeakPolarHBondContact O-CG 3.36Å; S25-R29 PolarHBondContact O-N 2.92Å |
| 26 | L | 96.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -74.8 | -39.6 | 174.9 | -63.2 | -177.8 | 0 | 0 | 0 | 111.3 | V5 V20 H23 P24 R29 A30 L156 | V5-L26 HydrophobicContact CG1-CD1 3.81Å; V5-L26 HydrophobicContact CG1-CD2 4.35Å; V5-L26 HydrophobicContact CG1-CG 3.89Å; V5-L26 HydrophobicContact CG2-CD1 3.92Å; V20-L26 HydrophobicContact CG2-CB 3.92Å; H23-L26 HydrophobicContact CB-CB 4.41Å; H23-L26 HydrophobicContact CB-CD1 4.04Å; H23-L26 HydrophobicContact CB-CG 4.06Å; H23-L26 PolarHBondContact O-N 2.87Å; P24-L26 VanDerWaalsContact C-N 3.33Å; L26-R29 PolarHBondContact O-N 2.63Å; L26-A30 WeakPolarHBondContact O-CB 3.49Å; L26-A30 PolarHBondContact O-N 2.93Å; L26-L156 HydrophobicContact CD1-CD2 4.21Å; L26-L156 HydrophobicContact CD2-CG 4.29Å |
| 27 | E | 94.8 | Very high | 95.2 | Very high | 104 Ų | 104 | 65 Ų | 65 | 49% | 0.486 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.5 | -50 | 178.4 | -169.4 | 176.3 | -178.2 | 0 | 0 | 111.5 | V20 H23 P24 R29 A30 R31 | V20-E27 HydrophobicContact CG1-CB 3.46Å; V20-E27 VanDerWaalsContact CG1-CB 3.46Å; V20-E27 HydrophobicContact CG1-CG 3.79Å; H23-E27 PolarHBondContact O-N 2.87Å; P24-E27 PolarHBondContact O-N 2.93Å; E27-R29 VanDerWaalsContact C-N 3.33Å; E27-R29 PolarHBondContact O-N 2.78Å; E27-A30 PolarHBondContact O-N 3.4Å; E27-R31 WeakPolarHBondContact O-CB 3.38Å; E27-R31 PolarHBondContact O-N 3.23Å |
| 28 | E | 95.9 | Very high | 95.6 | Very high | 81 Ų | 81 | 66.9 Ų | 66.9 | 38% | 0.379 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | -178.9 | 179.5 | 58.4 | -171.6 | 0 | 0 | 111.5 | P24 R31 L32 | P24-E28 PolarHBondContact O-N 3.14Å; E28-R31 VanDerWaalsContact CD-NH2 3.35Å; E28-R31 PolarHBondContact O-N 2.96Å; E28-R31 IonicContact OE1-CZ 3.66Å; E28-R31 IonicContact OE1-NE 3.79Å; E28-R31 IonicContact OE1-NH2 2.71Å; E28-R31 PolarHBondContact OE1-NH2 2.79Å; E28-R31 IonicContact OE2-CZ 3.43Å; E28-R31 IonicContact OE2-NE 2.79Å; E28-R31 PolarHBondContact OE2-NE 2.71Å; E28-R31 IonicContact OE2-NH2 3.22Å; E28-R31 PolarHBondContact OE2-NH2 3.4Å; E28-L32 HydrophobicContact CG-CD1 4.02Å; E28-L32 HydrophobicContact CG-CG 4.43Å; E28-L32 WeakPolarHBondContact O-CB 3.34Å; E28-L32 VanDerWaalsContact O-CG 3.25Å; E28-L32 WeakPolarHBondContact O-CG 3.45Å; E28-L32 PolarHBondContact O-N 3.25Å |
| 29 | R | 96.8 | Very high | 95.9 | Very high | 121 Ų | 121 | 68 Ų | 68 | 46% | 0.457 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 177.1 | -74.7 | 176.8 | 179.8 | -100.8 | 7.9 | 112.4 | S25 L26 E27 R31 L32 L33 V157 | S25-R29 WeakPolarHBondContact O-CG 3.36Å; S25-R29 PolarHBondContact O-N 2.92Å; L26-R29 PolarHBondContact O-N 2.63Å; E27-R29 VanDerWaalsContact C-N 3.33Å; E27-R29 PolarHBondContact O-N 2.78Å; R29-R31 VanDerWaalsContact C-N 3.35Å; R29-L32 PolarHBondContact O-N 3.29Å; R29-L33 VanDerWaalsContact O-CB 3.32Å; R29-L33 WeakPolarHBondContact O-CB 3.08Å; R29-L33 PolarHBondContact O-N 3.32Å; R29-V157 WeakPolarHBondContact CD-O 3.47Å |
| 30 | A | 96.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.008 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L26 E27 L33 R34 C160 | L26-A30 WeakPolarHBondContact O-CB 3.49Å; L26-A30 PolarHBondContact O-N 2.93Å; E27-A30 PolarHBondContact O-N 3.4Å; A30-L33 PolarHBondContact O-N 3.36Å; A30-R34 WeakPolarHBondContact O-CB 3.45Å; A30-R34 WeakPolarHBondContact O-CG 3.48Å; A30-R34 PolarHBondContact O-N 3.17Å; A30-C160 HydrophobicContact CB-CB 4.11Å |
| 31 | R | 97.4 | Very high | 96.6 | Very high | 127 Ų | 127 | 74.2 Ų | 74.2 | 48% | 0.479 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.8 | -48.9 | 175.6 | -171.6 | -166.6 | 71.4 | 76.6 | 0.3 | 111.9 | E27 E28 R29 G35 | E27-R31 WeakPolarHBondContact O-CB 3.38Å; E27-R31 PolarHBondContact O-N 3.23Å; E28-R31 VanDerWaalsContact CD-NH2 3.35Å; E28-R31 PolarHBondContact O-N 2.96Å; E28-R31 IonicContact OE1-CZ 3.66Å; E28-R31 IonicContact OE1-NE 3.79Å; E28-R31 IonicContact OE1-NH2 2.71Å; E28-R31 PolarHBondContact OE1-NH2 2.79Å; E28-R31 IonicContact OE2-CZ 3.43Å; E28-R31 IonicContact OE2-NE 2.79Å; E28-R31 PolarHBondContact OE2-NE 2.71Å; E28-R31 IonicContact OE2-NH2 3.22Å; E28-R31 PolarHBondContact OE2-NH2 3.4Å; R29-R31 VanDerWaalsContact C-N 3.35Å; R31-G35 PolarHBondContact O-N 3Å |
| 32 | L | 97.9 | Very high | 96.9 | Very high | 88 Ų | 88 | 67.9 Ų | 67.9 | 46% | 0.461 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 178.7 | -74.2 | 172.5 | 0 | 0 | 0 | 111.2 | E28 R29 G35 Q36 | E28-L32 HydrophobicContact CG-CD1 4.02Å; E28-L32 HydrophobicContact CG-CG 4.43Å; E28-L32 WeakPolarHBondContact O-CB 3.34Å; E28-L32 VanDerWaalsContact O-CG 3.25Å; E28-L32 WeakPolarHBondContact O-CG 3.45Å; E28-L32 PolarHBondContact O-N 3.25Å; R29-L32 PolarHBondContact O-N 3.29Å; L32-G35 PolarHBondContact O-N 3.46Å; L32-G35 VanDerWaalsContact O-N 3.17Å; L32-Q36 WeakPolarHBondContact O-CG 3.33Å; L32-Q36 PolarHBondContact O-N 3.42Å |
| 33 | L | 98.3 | Very high | 97.1 | Very high | 9 Ų | 9 | 64.6 Ų | 64.6 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 179.9 | -175.7 | 63.9 | 0 | 0 | 0 | 111.4 | R29 A30 G35 Q36 V126 T158 C160 I177 R191 | R29-L33 VanDerWaalsContact O-CB 3.32Å; R29-L33 WeakPolarHBondContact O-CB 3.08Å; R29-L33 PolarHBondContact O-N 3.32Å; A30-L33 PolarHBondContact O-N 3.36Å; L33-G35 PolarHBondContact O-N 2.87Å; L33-Q36 WeakPolarHBondContact O-CB 2.87Å; L33-Q36 PolarHBondContact O-N 3.39Å; L33-V126 HydrophobicContact CD2-CG1 4.17Å; L33-V126 HydrophobicContact CD2-CG2 3.72Å; L33-T158 HydrophobicContact CD2-CG2 4.05Å; L33-C160 HydrophobicContact CD2-CB 4.2Å; L33-I177 HydrophobicContact CD2-CD1 3.85Å; L33-I177 HydrophobicContact CG-CD1 3.71Å; L33-R191 HydrophobicContact CD1-CG 4.28Å; L33-R191 WeakPolarHBondContact O-CD 3.05Å; L33-R191 WeakPolarHBondContact O-CG 3.31Å |
| 34 | R | 97.9 | Very high | 97.3 | Very high | 69 Ų | 69 | 70.2 Ų | 70.2 | 26% | 0.26 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.1 | -34.8 | 174.9 | -72.8 | -167.1 | -61.4 | -84.2 | -2.7 | 113 | A30 Q36 L164 I176 I177 R191 | A30-R34 WeakPolarHBondContact O-CB 3.45Å; A30-R34 WeakPolarHBondContact O-CG 3.48Å; A30-R34 PolarHBondContact O-N 3.17Å; R34-Q36 VanDerWaalsContact C-N 3.27Å; R34-Q36 PolarHBondContact O-N 3.4Å; R34-L164 VanDerWaalsContact CD-O 3.25Å; R34-L164 WeakPolarHBondContact CD-O 3.32Å; R34-L164 PolarHBondContact NH1-O 3.02Å; R34-I176 HydrophobicContact CB-CG2 4.42Å; R34-I176 HydrophobicContact CG-CG2 4.27Å; R34-I177 HydrophobicContact CG-CD1 4.17Å; R34-R191 PolarHBondContact O-NH1 3Å |
| 35 | G | 97.7 | Very high | 97.5 | Very high | 66 Ų | 66 | 66.2 Ų | 66.2 | 68% | 0.68 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -74.4 | -10.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | R31 L32 L33 | R31-G35 PolarHBondContact O-N 3Å; L32-G35 PolarHBondContact O-N 3.46Å; L32-G35 VanDerWaalsContact O-N 3.17Å; L33-G35 PolarHBondContact O-N 2.87Å |
| 36 | Q | 98.2 | Very high | 97.6 | Very high | 57 Ų | 57 | 64.3 Ų | 64.3 | 27% | 0.266 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -70.8 | 147.7 | 177.5 | -69.4 | 172.7 | -4 | 0 | 0 | 111.9 | L32 L33 R34 R191 | L32-Q36 WeakPolarHBondContact O-CG 3.33Å; L32-Q36 PolarHBondContact O-N 3.42Å; L33-Q36 WeakPolarHBondContact O-CB 2.87Å; L33-Q36 PolarHBondContact O-N 3.39Å; R34-Q36 VanDerWaalsContact C-N 3.27Å; R34-Q36 PolarHBondContact O-N 3.4Å; Q36-R191 HydrophobicContact CB-CB 4.44Å; Q36-R191 HydrophobicContact CB-CG 4.31Å; Q36-R191 WeakPolarHBondContact O-CD 3.32Å; Q36-R191 PolarHBondContact O-NH1 2.92Å |
| 37 | S | 97.9 | Very high | 97.8 | Very high | 96 Ų | 96 | 64.3 Ų | 64.3 | 67% | 0.671 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -71 | 141.8 | 161.7 | 55 | 0 | 0 | 0 | 0 | 110.3 | Q39 | S37-Q39 PolarHBondContact O-N 3.39Š|
| 38 | V | 98.4 | Very high | 98 | Very high | 65 Ų | 65 | 60 Ų | 60 | 39% | 0.394 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 124.1 | 174.5 | -176.9 | 0 | 0 | 0 | 0 | 109.5 | R191 | V38-R191 HydrophobicContact CG2-CB 4.35Š|
| 39 | Q | 98.6 | Very high | 98.1 | Very high | 88 Ų | 88 | 56.1 Ų | 56.1 | 41% | 0.411 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 132.4 | 175.2 | -60.5 | -169.9 | 20.8 | 0 | 0 | 110.7 | S37 V41 Y190 R191 A192 S193 | S37-Q39 PolarHBondContact O-N 3.39Å; Q39-V41 PolarHBondContact O-N 3.38Å; Q39-Y190 HydrophobicContact CB-CD2 4.04Å; Q39-Y190 HydrophobicContact CB-CE2 3.98Å; Q39-Y190 HydrophobicContact CG-CD2 3.94Å; Q39-Y190 HydrophobicContact CG-CE2 4.25Å; Q39-R191 PolarHBondContact N-O 3.03Å; Q39-A192 CarbonylContact O-C 3.59Å; Q39-A192 VanDerWaalsContact O-CA 3.25Å; Q39-A192 WeakPolarHBondContact O-CA 3.42Å; Q39-S193 PolarHBondContact O-N 3.35Å |
| 40 | Q | 98.4 | Very high | 98.2 | Very high | 124 Ų | 124 | 51 Ų | 51 | 58% | 0.579 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 107.5 | 170.9 | -61.6 | -59.9 | -37.5 | 0 | 0 | 108.6 | S193 | Q40-S193 PolarHBondContact NE2-OG 3.25Å; Q40-S193 PolarHBondContact OE1-OG 3.17Å |
| 41 | V | 98.5 | Very high | 98.3 | Very high | 15 Ų | 15 | 54.6 Ų | 54.6 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 121.4 | -177.9 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | Q39 L46 I66 A181 Y190 A192 S193 F194 | Q39-V41 PolarHBondContact O-N 3.38Å; V41-L46 HydrophobicContact CG1-CD1 4.17Å; V41-L46 HydrophobicContact CG1-CD2 4.45Å; V41-I66 HydrophobicContact CG1-CD1 4.14Å; V41-I66 HydrophobicContact CG1-CG2 4.28Å; V41-A181 HydrophobicContact CG2-CB 4.22Å; V41-Y190 HydrophobicContact CG2-CE2 3.92Å; V41-A192 HydrophobicContact CG2-CB 3.7Å; V41-S193 PolarHBondContact N-O 2.84Å; V41-F194 HydrophobicContact CB-CD1 3.74Å; V41-F194 HydrophobicContact CB-CE1 3.67Å; V41-F194 HydrophobicContact CG1-CD1 4.05Å; V41-F194 HydrophobicContact CG1-CE1 3.84Å; V41-F194 HydrophobicContact CG2-CE1 4.06Å |
| 42 | G | 98.3 | Very high | 98.4 | Very high | 42 Ų | 42 | 50.3 Ų | 50.3 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | trans | -78.2 | 170.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q44 | G42-Q44 VanDerWaalsContact C-N 3.3Å; G42-Q44 PolarHBondContact O-N 2.94Å | ||
| 43 | P | 98 | Very high | 98.4 | Very high | 42 Ų | 42 | 46.1 Ų | 46.1 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -74.1 | -15.1 | -173.6 | 28.4 | -35.9 | 0 | 0 | 0 | 115.1 | G45 L46 D196 K296 G300 L301 | P43-G45 PolarHBondContact O-N 2.78Å; P43-L46 PolarHBondContact O-N 2.93Å; P43-D196 HydrophobicContact CB-CB 3.91Å; P43-D196 WeakPolarHBondContact CB-OD2 3.19Å; P43-D196 HydrophobicContact CG-CB 4.5Å; P43-K296 PolarHBondContact O-NZ 2.91Å; P43-G300 VanDerWaalsContact O-O 3.12Å; P43-L301 HydrophobicContact CB-CD2 3.72Å; P43-L301 HydrophobicContact CG-CD2 3.59Å |
| 44 | Q | 98.1 | Very high | 98.4 | Very high | 143 Ų | 143 | 45.7 Ų | 45.7 | 67% | 0.668 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 114.5 | -175.5 | -65.4 | -179 | -8.2 | 0 | 0 | 110.9 | G42 L46 G300 | G42-Q44 VanDerWaalsContact C-N 3.3Å; G42-Q44 PolarHBondContact O-N 2.94Å; Q44-L46 PolarHBondContact O-N 3.1Å; Q44-L46 VanDerWaalsContact O-N 3.14Å; Q44-G300 WeakPolarHBondContact CA-O 3.31Å |
| 45 | G | 97.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 7% | 0.072 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 11.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | P43 S63 S65 I66 G300 | P43-G45 PolarHBondContact O-N 2.78Å; G45-S63 WeakPolarHBondContact CA-O 3.25Å; G45-S65 PolarHBondContact O-N 3.2Å; G45-S65 PolarHBondContact O-OG 3.47Å; G45-I66 PolarHBondContact O-N 3.1Å; G45-I66 VanDerWaalsContact O-N 3.14Å; G45-G300 PolarHBondContact N-O 3.21Å |
| 46 | L | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 134.3 | 176.8 | 174 | 65.7 | 0 | 0 | 0 | 111.1 | V41 P43 Q44 I66 F194 K296 W302 | V41-L46 HydrophobicContact CG1-CD1 4.17Å; V41-L46 HydrophobicContact CG1-CD2 4.45Å; P43-L46 PolarHBondContact O-N 2.93Å; Q44-L46 PolarHBondContact O-N 3.1Å; Q44-L46 VanDerWaalsContact O-N 3.14Å; L46-I66 HydrophobicContact CD1-CB 4.45Å; L46-I66 HydrophobicContact CD1-CG2 4.03Å; L46-F194 HydrophobicContact CD1-CD1 3.87Å; L46-F194 HydrophobicContact CD1-CE1 3.67Å; L46-F194 HydrophobicContact CD2-CD1 3.68Å; L46-F194 HydrophobicContact CD2-CE1 4.35Å; L46-F194 HydrophobicContact CG-CD1 4.44Å; L46-K296 WeakPolarHBondContact O-CE 3.42Å; L46-K296 PolarHBondContact O-NZ 2.91Å; L46-W302 PolarHBondContact O-NE1 3.19Å |
| 47 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 104.6 | 158.4 | 171 | 57.5 | 0 | 0 | 0 | 108.9 | A55 I64 I66 L67 G68 I217 Y218 L225 W302 | L47-A55 HydrophobicContact CD2-CB 3.53Å; L47-A55 HydrophobicContact CG-CB 4.16Å; L47-I64 HydrophobicContact CB-CD1 4Å; L47-I64 HydrophobicContact CB-CG1 4.42Å; L47-I64 HydrophobicContact CB-CG2 4Å; L47-I66 PolarHBondContact N-O 3.2Å; L47-L67 HydrophobicContact CB-CD2 3.77Å; L47-L67 HydrophobicContact CD2-CD2 3.76Å; L47-L67 HydrophobicContact CG-CD2 3.95Å; L47-G68 PolarHBondContact O-N 2.68Å; L47-I217 HydrophobicContact CD1-CD1 4.18Å; L47-Y218 HydrophobicContact CD2-CD1 4.03Å; L47-Y218 HydrophobicContact CD2-CD2 3.87Å; L47-Y218 HydrophobicContact CD2-CG 3.56Å; L47-L225 HydrophobicContact CD1-CD1 3.88Å; L47-W302 HydrophobicContact CB-CZ2 4.14Å; L47-W302 HydrophobicContact CD1-CZ2 3.81Å; L47-W302 HydrophobicContact CG-CZ2 4.47Å |
| 48 | Y | 98.9 | Very high | 98.5 | Very high | 12 Ų | 12 | 33 Ų | 33 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 129.2 | 175.4 | -174.2 | -96.8 | 0 | 0 | 0 | 110.6 | Q50 G68 D70 F194 H197 R204 | Y48-Q50 HydrophobicContact CD1-CG 4.13Å; Y48-Q50 HydrophobicContact CE1-CG 3.84Å; Y48-G68 WeakPolarHBondContact CA-O 3.28Å; Y48-D70 HydrophobicContact CE2-CB 4.08Å; Y48-D70 WeakPolarHBondContact OH-CB 3.04Å; Y48-D70 PolarHBondContact OH-N 3.35Å; Y48-F194 HydrophobicContact CD2-CB 3.95Å; Y48-F194 HydrophobicContact CD2-CD1 4.11Å; Y48-F194 AromaticContact CD2-CD2 3.95Å; Y48-F194 HydrophobicContact CD2-CD2 3.95Å; Y48-F194 AromaticContact CD2-CG 3.72Å; Y48-F194 HydrophobicContact CD2-CG 3.72Å; Y48-F194 HydrophobicContact CE2-CB 3.99Å; Y48-F194 AromaticContact CE2-CD2 3.64Å; Y48-F194 HydrophobicContact CE2-CD2 3.64Å; Y48-F194 HydrophobicContact CE2-CE2 4.27Å; Y48-F194 AromaticContact CE2-CG 3.83Å; Y48-F194 HydrophobicContact CE2-CG 3.83Å; Y48-H197 HydrophobicContact CD1-CB 3.61Å; Y48-H197 AromaticContact CD1-CD2 3.95Å; Y48-H197 AromaticContact CD2-CD2 3.73Å; Y48-H197 HydrophobicContact CE1-CB 3.76Å; Y48-H197 AromaticContact CE1-CD2 3.75Å; Y48-H197 AromaticContact CE1-CG 3.8Å; Y48-H197 AromaticContact CE2-CD2 3.53Å; Y48-H197 HydrophobicContact CG-CB 4.17Å; Y48-H197 AromaticContact CG-CD2 3.94Å; Y48-H197 AromaticContact CZ-CD2 3.54Å; Y48-R204 PolarHBondContact O-NH2 3.41Å |
| 49 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -109.1 | 118.3 | -177.7 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | E53 A55 G68 S69 L90 | V49-E53 VanDerWaalsContact CG1-C 3.47Å; V49-E53 HydrophobicContact CG1-CB 3.69Å; V49-E53 WeakPolarHBondContact CG1-O 3.25Å; V49-A55 HydrophobicContact CG2-CB 3.66Å; V49-G68 PolarHBondContact N-O 3.33Å; V49-S69 VanDerWaalsContact O-CB 3.25Å; V49-S69 WeakPolarHBondContact O-CB 3.25Å; V49-S69 PolarHBondContact O-OG 2.93Å; V49-L90 HydrophobicContact CB-CD2 3.67Å; V49-L90 HydrophobicContact CG1-CD2 4.09Å; V49-L90 HydrophobicContact CG2-CD2 3.79Å | ||
| 50 | Q | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 34.6 Ų | 34.6 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | trans | -79.7 | 169.8 | 177.3 | -70.9 | -176.4 | 8.4 | 0 | 0 | 111.6 | Y48 R52 E53 E201 R204 | Y48-Q50 HydrophobicContact CD1-CG 4.13Å; Y48-Q50 HydrophobicContact CE1-CG 3.84Å; Q50-R52 PolarHBondContact O-N 3.04Å; Q50-E53 HydrophobicContact CB-CG 4.3Å; Q50-E53 WeakPolarHBondContact CB-OE2 3.33Å; Q50-E53 PolarHBondContact N-OE2 2.94Å; Q50-E53 WeakPolarHBondContact O-CB 3.46Å; Q50-E53 PolarHBondContact O-N 3.49Å; Q50-E201 PolarHBondContact NE2-O 3.44Å; Q50-R204 VanDerWaalsContact OE1-C 3.27Å; Q50-R204 VanDerWaalsContact OE1-CB 3.25Å | ||
| 51 | Q | 98.6 | Very high | 98.2 | Very high | 75 Ų | 75 | 29 Ų | 29 | 35% | 0.35 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 135 | 169 | -171.5 | 177.6 | -30.1 | 0 | 0 | 111.7 | E53 D94 | Q51-E53 VanDerWaalsContact C-N 3.27Å; Q51-E53 PolarHBondContact O-N 2.81Å; Q51-D94 HydrophobicContact CG-CB 3.87Å; Q51-D94 VanDerWaalsContact NE2-CB 3.26Å; Q51-D94 PolarHBondContact NE2-OD2 2.91Å |
| 52 | R | 98.5 | Very high | 98.1 | Very high | 37 Ų | 37 | 31.6 Ų | 31.6 | 14% | 0.14 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 33.1 | -171.9 | -56 | -174.1 | -148.6 | 145.5 | 15.6 | 114.3 | Q50 H92 D94 T96 R207 A208 G212 M214 I215 | Q50-R52 PolarHBondContact O-N 3.04Å; R52-H92 PolarHBondContact N-O 3.45Å; R52-D94 WeakPolarHBondContact CG-OD2 3.25Å; R52-D94 IonicContact CZ-OD2 3.58Å; R52-D94 IonicContact NE-OD1 2.68Å; R52-D94 IonicContact NE-OD2 3.67Å; R52-D94 PolarHBondContact NE-OD2 3.22Å; R52-D94 IonicContact NH2-OD2 3.83Å; R52-D94 PolarHBondContact NH2-OD2 2.83Å; R52-T96 PolarHBondContact NE-OG1 2.74Å; R52-R207 PolarHBondContact O-NH2 3.14Å; R52-A208 PolarHBondContact NH1-O 3.04Å; R52-G212 VanDerWaalsContact CD-O 3.25Å; R52-G212 WeakPolarHBondContact CD-O 3.31Å; R52-G212 PolarHBondContact NH1-O 2.85Å; R52-G212 VanDerWaalsContact NH1-O 3.16Å; R52-M214 WeakPolarHBondContact O-CA 3.33Å; R52-I215 PolarHBondContact O-N 2.95Å |
| 53 | E | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 157.3 | 166.2 | -61.9 | -177.6 | 150.1 | 0 | 0 | 110.6 | V49 Q50 Q51 T91 H92 R204 I215 I217 | V49-E53 VanDerWaalsContact CG1-C 3.47Å; V49-E53 HydrophobicContact CG1-CB 3.69Å; V49-E53 WeakPolarHBondContact CG1-O 3.25Å; Q50-E53 HydrophobicContact CB-CG 4.3Å; Q50-E53 WeakPolarHBondContact CB-OE2 3.33Å; Q50-E53 PolarHBondContact N-OE2 2.94Å; Q50-E53 WeakPolarHBondContact O-CB 3.46Å; Q50-E53 PolarHBondContact O-N 3.49Å; Q51-E53 VanDerWaalsContact C-N 3.27Å; Q51-E53 PolarHBondContact O-N 2.81Å; E53-T91 WeakPolarHBondContact O-CA 3.41Å; E53-T91 PolarHBondContact O-OG1 2.92Å; E53-T91 VanDerWaalsContact O-OG1 3.11Å; E53-H92 PolarHBondContact O-N 3.07Å; E53-R204 WeakPolarHBondContact OE1-CB 3.42Å; E53-R204 WeakPolarHBondContact OE1-CG 3.49Å; E53-R204 IonicContact OE1-CZ 2.74Å; E53-R204 IonicContact OE1-NE 2.94Å; E53-R204 PolarHBondContact OE1-NE 3.3Å; E53-R204 IonicContact OE1-NH2 3.38Å; E53-R204 IonicContact OE2-CZ 3.65Å; E53-R204 IonicContact OE2-NE 3.28Å; E53-R204 PolarHBondContact OE2-NE 3Å; E53-R204 IonicContact OE2-NH2 3.85Å; E53-R204 PolarHBondContact OE2-NH2 3.04Å; E53-I215 HydrophobicContact CG-CG1 4.29Å; E53-I217 HydrophobicContact CB-CD1 4.31Å; E53-I217 HydrophobicContact CB-CG2 4.07Å; E53-I217 HydrophobicContact CG-CG2 3.98Å |
| 54 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 138.1 | 176.2 | 175.8 | 152.7 | 0 | 0 | 0 | 109.1 | C89 L90 L104 I105 A108 M214 I215 S216 I217 | L54-C89 VanDerWaalsContact CD1-SG 3.54Å; L54-C89 VanDerWaalsContact CG-SG 3.53Å; L54-L90 WeakPolarHBondContact CA-O 3.29Å; L54-L104 HydrophobicContact CD1-CD2 4.32Å; L54-L104 HydrophobicContact CD1-CG 4.31Å; L54-I105 HydrophobicContact CD1-CB 4.24Å; L54-I105 HydrophobicContact CD1-CG1 3.71Å; L54-A108 HydrophobicContact CD1-CB 4.41Å; L54-A108 HydrophobicContact CD2-CB 3.84Å; L54-M214 HydrophobicContact CB-CG 4.41Å; L54-M214 HydrophobicContact CB-SD 4.4Å; L54-I215 PolarHBondContact N-O 3.27Å; L54-S216 VanDerWaalsContact O-CA 3.31Å; L54-S216 WeakPolarHBondContact O-CA 3.2Å; L54-I217 PolarHBondContact O-N 2.9Å |
| 55 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 139.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L47 V49 L67 C89 L90 I217 | L47-A55 HydrophobicContact CD2-CB 3.53Å; L47-A55 HydrophobicContact CG-CB 4.16Å; V49-A55 HydrophobicContact CG2-CB 3.66Å; A55-L67 HydrophobicContact CB-CD2 4.2Å; A55-C89 CarbonylContact O-C 3.56Å; A55-C89 VanDerWaalsContact O-CA 3.25Å; A55-C89 WeakPolarHBondContact O-CA 3.49Å; A55-L90 PolarHBondContact N-O 2.78Å; A55-L90 PolarHBondContact O-N 3.02Å; A55-I217 HydrophobicContact CB-CG1 4.28Å |
| 56 | V | 98.6 | Very high | 98.2 | Very high | 8 Ų | 8 | 24.4 Ų | 24.4 | 5% | 0.048 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 135.4 | 174.6 | 66.4 | 0 | 0 | 0 | 0 | 110.1 | T88 C89 A108 I109 F112 | V56-T88 WeakPolarHBondContact CA-O 3.47Å; V56-C89 HydrophobicContact CB-CB 4.05Å; V56-C89 HydrophobicContact CG2-CB 3.88Å; V56-A108 HydrophobicContact CB-CB 4.24Å; V56-A108 HydrophobicContact CG1-CB 3.94Å; V56-I109 HydrophobicContact CG2-CD1 3.82Å; V56-I109 HydrophobicContact CG2-CG1 4.41Å; V56-F112 HydrophobicContact CB-CE2 4.26Å; V56-F112 HydrophobicContact CG1-CE2 3.81Å; V56-F112 HydrophobicContact CG1-CZ 4.27Å; V56-F112 HydrophobicContact CG2-CD2 4.21Å; V56-F112 HydrophobicContact CG2-CE2 3.49Å; V56-F112 VanDerWaalsContact CG2-CE2 3.49Å; V56-F112 HydrophobicContact CG2-CZ 4.33Å |
| 57 | T | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | -177.8 | 173.5 | -168.3 | 0 | 0 | 0 | 0 | 111 | D61 I64 L67 A87 T88 I184 | T57-D61 WeakPolarHBondContact OG1-CB 3.1Å; T57-D61 VanDerWaalsContact OG1-CG 3.32Å; T57-D61 PolarHBondContact OG1-OD2 3.11Å; T57-I64 HydrophobicContact CG2-CB 4.37Å; T57-I64 HydrophobicContact CG2-CG2 4.11Å; T57-L67 HydrophobicContact CG2-CD2 4.35Å; T57-A87 CarbonylContact O-C 3.53Å; T57-A87 WeakPolarHBondContact O-CA 3.4Å; T57-T88 PolarHBondContact N-O 2.93Å; T57-T88 PolarHBondContact O-N 2.95Å; T57-I184 HydrophobicContact CG2-CD1 4.07Å; T57-I184 HydrophobicContact CG2-CG1 3.89Å; T57-I184 HydrophobicContact CG2-CG2 4.23Å |
| 58 | T | 97.5 | Very high | 98.2 | Very high | 14 Ų | 14 | 24.1 Ų | 24.1 | 9% | 0.086 | 14% | 0.14 | C | C | . | . | trans | -134.3 | 166.4 | -179.3 | 74.8 | 0 | 0 | 0 | 0 | 110.3 | K60 D61 A87 F112 I184 | T58-K60 PolarHBondContact O-N 2.94Å; T58-K60 WeakPolarHBondContact OG1-CB 3.14Å; T58-K60 PolarHBondContact OG1-N 2.74Å; T58-D61 VanDerWaalsContact O-CB 3.28Å; T58-D61 WeakPolarHBondContact O-CB 3.2Å; T58-D61 PolarHBondContact O-N 2.84Å; T58-D61 VanDerWaalsContact O-N 3.07Å; T58-A87 HydrophobicContact CG2-CB 4.07Å; T58-F112 HydrophobicContact CG2-CD1 3.37Å; T58-F112 HydrophobicContact CG2-CD2 4.4Å; T58-F112 HydrophobicContact CG2-CE1 3.44Å; T58-F112 VanDerWaalsContact CG2-CE1 3.44Å; T58-F112 HydrophobicContact CG2-CE2 4.48Å; T58-F112 HydrophobicContact CG2-CG 3.88Å; T58-F112 HydrophobicContact CG2-CZ 4.02Å; T58-I184 VanDerWaalsContact C-CG2 3.45Å | ||
| 59 | P | 97 | Very high | 98.2 | Very high | 51 Ų | 51 | 23.5 Ų | 23.5 | 33% | 0.331 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -10.9 | 174.4 | -22.3 | 33.8 | 0 | 0 | 0 | 114.7 | D61 N85 G86 I184 | P59-D61 VanDerWaalsContact C-N 3.3Å; P59-N85 WeakPolarHBondContact CD-O 3.36Å; P59-G86 WeakPolarHBondContact CD-O 3.34Å; P59-I184 HydrophobicContact CG-CG2 4.2Å |
| 60 | K | 95.9 | Very high | 98.1 | Very high | 135 Ų | 135 | 24.3 Ų | 24.3 | 59% | 0.587 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -18 | 175.6 | -59.4 | -178 | -178.5 | -178.5 | 0 | 112.7 | T58 G62 D114 | T58-K60 PolarHBondContact O-N 2.94Å; T58-K60 WeakPolarHBondContact OG1-CB 3.14Å; T58-K60 PolarHBondContact OG1-N 2.74Å; K60-G62 PolarHBondContact O-N 3.16Å; K60-D114 IonicContact NZ-OD2 2.71Å; K60-D114 PolarHBondContact NZ-OD2 3.16Å |
| 61 | D | 96.7 | Very high | 98.1 | Very high | 6 Ų | 6 | 25.6 Ų | 25.6 | 3% | 0.032 | 15% | 0.149 | C | C | . | . | trans | -67.7 | 121.5 | 176.8 | -173.3 | -36.2 | 0 | 0 | 0 | 110 | T57 T58 P59 S63 I64 Y218 | T57-D61 WeakPolarHBondContact OG1-CB 3.1Å; T57-D61 VanDerWaalsContact OG1-CG 3.32Å; T57-D61 PolarHBondContact OG1-OD2 3.11Å; T58-D61 VanDerWaalsContact O-CB 3.28Å; T58-D61 WeakPolarHBondContact O-CB 3.2Å; T58-D61 PolarHBondContact O-N 2.84Å; T58-D61 VanDerWaalsContact O-N 3.07Å; P59-D61 VanDerWaalsContact C-N 3.3Å; D61-S63 WeakPolarHBondContact OD1-CA 3.39Å; D61-S63 VanDerWaalsContact OD1-CB 3.31Å; D61-S63 WeakPolarHBondContact OD1-CB 3.22Å; D61-S63 PolarHBondContact OD1-N 2.91Å; D61-I64 PolarHBondContact OD1-N 3.22Å; D61-Y218 PolarHBondContact OD1-OH 2.82Å; D61-Y218 WeakPolarHBondContact OD2-CE1 3.36Å; D61-Y218 VanDerWaalsContact OD2-CZ 3.23Å; D61-Y218 PolarHBondContact OD2-OH 3.47Å | ||
| 62 | G | 96.5 | Very high | 98 | Very high | 70 Ų | 70 | 22 Ų | 22 | 72% | 0.722 | 13% | 0.133 | S | C | * | . | S | Bend | trans | -80 | -19.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K60 E223 | K60-G62 PolarHBondContact O-N 3.16Å; G62-E223 PolarHBondContact N-OE1 2.91Å |
| 63 | S | 97.8 | Very high | 97.9 | Very high | 22 Ų | 22 | 20.4 Ų | 20.4 | 15% | 0.154 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -90.8 | -39.6 | -173.5 | -70.6 | 0 | 0 | 0 | 0 | 112.7 | G45 D61 E223 | G45-S63 WeakPolarHBondContact CA-O 3.25Å; D61-S63 WeakPolarHBondContact OD1-CA 3.39Å; D61-S63 VanDerWaalsContact OD1-CB 3.31Å; D61-S63 WeakPolarHBondContact OD1-CB 3.22Å; D61-S63 PolarHBondContact OD1-N 2.91Å; S63-E223 WeakPolarHBondContact CB-OE2 3.2Å; S63-E223 PolarHBondContact OG-OE2 3.37Å |
| 64 | I | 98.5 | Very high | 97.9 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | trans | -111.9 | 121 | -171.3 | -54.7 | -55.2 | 0 | 0 | 0 | 111.9 | L47 T57 D61 L67 Y218 K296 W302 | L47-I64 HydrophobicContact CB-CD1 4Å; L47-I64 HydrophobicContact CB-CG1 4.42Å; L47-I64 HydrophobicContact CB-CG2 4Å; T57-I64 HydrophobicContact CG2-CB 4.37Å; T57-I64 HydrophobicContact CG2-CG2 4.11Å; D61-I64 PolarHBondContact OD1-N 3.22Å; I64-L67 HydrophobicContact CG2-CD2 3.9Å; I64-Y218 HydrophobicContact CG1-CE1 4.11Å; I64-Y218 HydrophobicContact CG1-CE2 4.09Å; I64-Y218 WeakPolarHBondContact CG1-OH 3.27Å; I64-K296 HydrophobicContact CD1-CD 4.44Å; I64-K296 HydrophobicContact CD1-CG 3.94Å; I64-W302 HydrophobicContact CD1-CH2 3.7Å; I64-W302 HydrophobicContact CD1-CZ2 3.6Å | ||
| 65 | S | 98.3 | Very high | 97.9 | Very high | 34 Ų | 34 | 20.9 Ų | 20.9 | 24% | 0.238 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -107.1 | -25.1 | 174 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | G45 I184 | G45-S65 PolarHBondContact O-N 3.2Å; G45-S65 PolarHBondContact O-OG 3.47Å; S65-I184 PolarHBondContact O-N 2.85Å |
| 66 | I | 98.8 | Very high | 97.9 | Very high | 23 Ų | 23 | 20.9 Ų | 20.9 | 12% | 0.118 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 130.4 | -174 | -60.7 | 169.8 | 0 | 0 | 0 | 109.7 | V41 G45 L46 L47 A181 V182 | V41-I66 HydrophobicContact CG1-CD1 4.14Å; V41-I66 HydrophobicContact CG1-CG2 4.28Å; G45-I66 PolarHBondContact O-N 3.1Å; G45-I66 VanDerWaalsContact O-N 3.14Å; L46-I66 HydrophobicContact CD1-CB 4.45Å; L46-I66 HydrophobicContact CD1-CG2 4.03Å; L47-I66 PolarHBondContact N-O 3.2Å; I66-A181 HydrophobicContact CG2-CB 3.84Å; I66-V182 WeakPolarHBondContact CA-O 3.08Å |
| 67 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 143.9 | 160.9 | -55.8 | 178.6 | 0 | 0 | 0 | 108.4 | L47 A55 T57 I64 T88 L90 A181 V182 I184 | L47-L67 HydrophobicContact CB-CD2 3.77Å; L47-L67 HydrophobicContact CD2-CD2 3.76Å; L47-L67 HydrophobicContact CG-CD2 3.95Å; A55-L67 HydrophobicContact CB-CD2 4.2Å; T57-L67 HydrophobicContact CG2-CD2 4.35Å; I64-L67 HydrophobicContact CG2-CD2 3.9Å; L67-T88 HydrophobicContact CD1-CG2 4.45Å; L67-L90 HydrophobicContact CB-CB 3.85Å; L67-L90 HydrophobicContact CB-CD1 3.97Å; L67-L90 HydrophobicContact CB-CG 4.46Å; L67-L90 HydrophobicContact CD1-CB 3.81Å; L67-L90 HydrophobicContact CG-CB 4.48Å; L67-A181 CarbonylContact O-C 3.45Å; L67-A181 WeakPolarHBondContact O-CA 3.48Å; L67-V182 HydrophobicContact CB-CG1 3.78Å; L67-V182 HydrophobicContact CG-CG1 4.46Å; L67-V182 PolarHBondContact N-O 2.83Å; L67-V182 VanDerWaalsContact N-O 3.11Å; L67-V182 PolarHBondContact O-N 2.51Å; L67-I184 HydrophobicContact CB-CD1 4.47Å; L67-I184 HydrophobicContact CD1-CD1 3.81Å; L67-I184 HydrophobicContact CG-CD1 3.66Å; L67-I184 HydrophobicContact CG-CG1 4.39Å |
| 68 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 155.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L47 Y48 V49 I180 F194 | L47-G68 PolarHBondContact O-N 2.68Å; Y48-G68 WeakPolarHBondContact CA-O 3.28Å; V49-G68 PolarHBondContact N-O 3.33Å; G68-I180 WeakPolarHBondContact CA-O 3.4Å; G68-F194 VanDerWaalsContact CA-CZ 3.44Å |
| 69 | S | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 153.2 | 170.9 | -163.6 | 0 | 0 | 0 | 0 | 109.1 | V49 I77 H92 G179 I180 F194 | V49-S69 VanDerWaalsContact O-CB 3.25Å; V49-S69 WeakPolarHBondContact O-CB 3.25Å; V49-S69 PolarHBondContact O-OG 2.93Å; S69-I77 VanDerWaalsContact O-CD1 3.29Å; S69-I77 WeakPolarHBondContact O-CD1 3.16Å; S69-H92 PolarHBondContact OG-ND1 3.19Å; S69-G179 CarbonylContact O-C 3.57Å; S69-G179 WeakPolarHBondContact O-CA 3.32Å; S69-I180 PolarHBondContact N-O 3.35Å; S69-I180 PolarHBondContact O-N 2.9Å; S69-F194 WeakPolarHBondContact O-CE2 3.36Å |
| 70 | D | 98.1 | Very high | 98.1 | Very high | 16 Ų | 16 | 17.5 Ų | 17.5 | 9% | 0.086 | 11% | 0.109 | C | C | . | . | trans | -139.3 | -175.8 | -176.5 | -147.4 | -14.5 | 0 | 0 | 0 | 111 | Y48 A72 H92 Y178 G179 S193 F194 | Y48-D70 HydrophobicContact CE2-CB 4.08Å; Y48-D70 WeakPolarHBondContact OH-CB 3.04Å; Y48-D70 PolarHBondContact OH-N 3.35Å; D70-A72 PolarHBondContact O-N 2.85Å; D70-H92 PolarHBondContact O-CE1 3.05Å; D70-Y178 CarbonylContact C-O 3.58Å; D70-Y178 VanDerWaalsContact OD1-C 3.26Å; D70-G179 VanDerWaalsContact OD1-CA 3.29Å; D70-G179 WeakPolarHBondContact OD1-CA 3.45Å; D70-G179 PolarHBondContact OD1-N 2.84Å; D70-S193 WeakPolarHBondContact OD2-CA 3.16Å; D70-S193 VanDerWaalsContact OD2-CB 3.32Å; D70-S193 WeakPolarHBondContact OD2-CB 3.49Å; D70-F194 HydrophobicContact CB-CD2 3.85Å; D70-F194 HydrophobicContact CB-CE2 4.25Å | ||
| 71 | D | 97.3 | Very high | 98.2 | Very high | 42 Ų | 42 | 12.2 Ų | 12.2 | 23% | 0.225 | 9% | 0.085 | C | C | . | . | trans | 60.4 | 25.5 | 177.1 | -62.3 | -21.2 | 0 | 0 | 0 | 113.3 | T73 Y178 P261 H263 | D71-T73 PolarHBondContact O-N 3.1Å; D71-Y178 PolarHBondContact N-O 2.85Å; D71-P261 HydrophobicContact CB-CG 4.18Å; D71-P261 WeakPolarHBondContact OD1-CG 3.15Å; D71-H263 IonicContact OD1-CE1 3.02Å; D71-H263 PolarHBondContact OD1-CE1 3.2Å; D71-H263 IonicContact OD1-NE2 3.79Å; D71-H263 PolarHBondContact OD1-NE2 3.42Å; D71-H263 IonicContact OD2-CD2 3.16Å; D71-H263 IonicContact OD2-CE1 2.74Å; D71-H263 IonicContact OD2-NE2 3.87Å; D71-H263 PolarHBondContact OD2-NE2 2.95Å | ||
| 72 | A | 96.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -75.9 | 94.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D70 C75 I77 Y178 | D70-A72 PolarHBondContact O-N 2.85Å; A72-C75 HydrophobicContact CB-CB 4.42Å; A72-I77 HydrophobicContact CB-CD1 4.07Å; A72-I77 HydrophobicContact CB-CG1 4.04Å; A72-Y178 WeakPolarHBondContact CB-O 3.14Å; A72-Y178 PolarHBondContact N-O 3.14Å | ||
| 73 | T | 96.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 12 Ų | 12 | 3% | 0.025 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -82.3 | -87.6 | 173 | 53.9 | 0 | 0 | 0 | 0 | 111.1 | D71 C75 G128 Y178 S256 E260 | D71-T73 PolarHBondContact O-N 3.1Å; T73-C75 VanDerWaalsContact C-N 3.3Å; T73-G128 CarbonylContact O-C 3.59Å; T73-G128 WeakPolarHBondContact O-CA 3.32Å; T73-G128 PolarHBondContact O-N 3.35Å; T73-Y178 HydrophobicContact CG2-CD1 4.4Å; T73-Y178 HydrophobicContact CG2-CE1 4Å; T73-S256 VanDerWaalsContact CB-OG 3.31Å; T73-S256 WeakPolarHBondContact CB-OG 3.46Å; T73-S256 PolarHBondContact OG1-OG 3.1Å; T73-E260 WeakPolarHBondContact CG2-OE2 3.34Å |
| 74 | T | 98.3 | Very high | 98.1 | Very high | 5 Ų | 5 | 12.4 Ų | 12.4 | 3% | 0.031 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -83.6 | -10.5 | 172.4 | 58.4 | 0 | 0 | 0 | 0 | 113 | F129 D131 L135 T255 | T74-F129 HydrophobicContact CG2-CE1 3.93Å; T74-D131 HydrophobicContact CG2-CB 4.12Å; T74-L135 HydrophobicContact CG2-CB 4.18Å; T74-L135 HydrophobicContact CG2-CD1 4.34Å; T74-T255 WeakPolarHBondContact OG1-CB 3.43Å; T74-T255 PolarHBondContact OG1-OG1 3.14Å |
| 75 | C | 98.4 | Very high | 97.9 | Very high | 4 Ų | 4 | 13.2 Ų | 13.2 | 3% | 0.027 | 8% | 0.081 | C | C | . | . | trans | -80.4 | 166.1 | -177.2 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | A72 T73 H92 C93 D94 G127 G128 | A72-C75 HydrophobicContact CB-CB 4.42Å; T73-C75 VanDerWaalsContact C-N 3.3Å; C75-H92 WeakPolarHBondContact CB-NE2 3.36Å; C75-C93 WeakPolarHBondContact CA-O 3.25Å; C75-C93 VanDerWaalsContact CB-O 3.31Å; C75-C93 WeakPolarHBondContact CB-O 3.49Å; C75-D94 HydrophobicContact CB-CB 4.46Å; C75-D94 VanDerWaalsContact SG-CB 3.6Å; C75-G127 CarbonylContact O-C 3.5Å; C75-G127 WeakPolarHBondContact O-CA 3.5Å; C75-G128 PolarHBondContact O-N 3.03Å | ||
| 76 | H | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 128.5 | 178.8 | -71.8 | 44 | 0 | 0 | 0 | 111 | C93 V126 S136 L139 T140 L143 V161 | H76-C93 PolarHBondContact N-O 3.32Å; H76-C93 PolarHBondContact O-N 2.92Å; H76-V126 CarbonylContact C-O 3.56Å; H76-V126 WeakPolarHBondContact CA-O 3.42Å; H76-S136 PolarHBondContact CE1-O 3.22Å; H76-L139 HydrophobicContact CB-CD2 4.02Å; H76-L139 HydrophobicContact CB-CG 4.41Å; H76-L139 WeakPolarHBondContact ND1-CD2 3.41Å; H76-T140 PolarHBondContact NE2-OG1 2.62Å; H76-L143 HydrophobicContact CB-CD1 3.74Å; H76-V161 VanDerWaalsContact CD2-CG1 3.43Å; H76-V161 WeakPolarHBondContact CD2-CG1 3.39Å; H76-V161 WeakPolarHBondContact NE2-CB 3.36Å |
| 77 | I | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 10.7 Ų | 10.7 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 122.4 | 166.2 | -54.3 | 167.9 | 0 | 0 | 0 | 107.5 | S69 A72 L90 T91 V126 I180 | S69-I77 VanDerWaalsContact O-CD1 3.29Å; S69-I77 WeakPolarHBondContact O-CD1 3.16Å; A72-I77 HydrophobicContact CB-CD1 4.07Å; A72-I77 HydrophobicContact CB-CG1 4.04Å; I77-L90 HydrophobicContact CG2-CD1 4.12Å; I77-L90 HydrophobicContact CG2-CD2 4.03Å; I77-L90 HydrophobicContact CG2-CG 3.97Å; I77-T91 WeakPolarHBondContact CA-O 3.42Å; I77-V126 PolarHBondContact N-O 3.22Å; I77-V126 PolarHBondContact O-N 2.96Å; I77-I180 HydrophobicContact CB-CD1 4.1Å; I77-I180 HydrophobicContact CB-CG1 4.03Å; I77-I180 HydrophobicContact CD1-CG1 3.91Å; I77-I180 HydrophobicContact CG2-CD1 3.71Å; I77-I180 HydrophobicContact CG2-CG1 3.65Å |
| 78 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 126.7 | -179.7 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | L90 T91 V123 H124 L125 L143 F147 | V78-L90 WeakPolarHBondContact O-CA 3.33Å; V78-T91 HydrophobicContact CB-CG2 3.68Å; V78-T91 HydrophobicContact CG1-CG2 4.44Å; V78-T91 HydrophobicContact CG2-CG2 4.4Å; V78-T91 PolarHBondContact N-O 2.86Å; V78-T91 PolarHBondContact O-N 3.36Å; V78-V123 HydrophobicContact CG1-CG2 3.93Å; V78-H124 WeakPolarHBondContact CA-O 3.38Å; V78-L125 HydrophobicContact CG2-CG 4.43Å; V78-L143 HydrophobicContact CG2-CD1 4.02Å; V78-L143 HydrophobicContact CG2-CD2 4.18Å; V78-F147 HydrophobicContact CG1-CE2 3.96Å; V78-F147 HydrophobicContact CG1-CZ 3.84Å |
| 79 | V | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.006 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.7 | 169.9 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | T88 C89 L90 V123 H124 I180 V182 I189 | V79-T88 HydrophobicContact CG1-CG2 3.91Å; V79-C89 CarbonylContact C-O 3.58Å; V79-C89 VanDerWaalsContact CA-O 3.25Å; V79-C89 WeakPolarHBondContact CA-O 3.27Å; V79-L90 HydrophobicContact CG2-CB 4.44Å; V79-L90 HydrophobicContact CG2-CD1 3.99Å; V79-L90 HydrophobicContact CG2-CG 4.15Å; V79-V123 CarbonylContact O-C 3.45Å; V79-V123 WeakPolarHBondContact O-CA 3.25Å; V79-H124 HydrophobicContact CB-CB 4.18Å; V79-H124 PolarHBondContact N-O 3.19Å; V79-H124 PolarHBondContact O-N 3.16Å; V79-I180 HydrophobicContact CG2-CD1 4.14Å; V79-V182 HydrophobicContact CG1-CB 4.49Å; V79-V182 HydrophobicContact CG1-CG1 4.31Å; V79-V182 HydrophobicContact CG1-CG2 4.3Å; V79-V182 HydrophobicContact CG2-CG1 4.32Å; V79-I189 HydrophobicContact CB-CD1 4.07Å; V79-I189 HydrophobicContact CG1-CD1 4.16Å; V79-I189 HydrophobicContact CG2-CD1 4.25Å |
| 80 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 125.1 | 169.2 | -176 | 68.7 | 0 | 0 | 0 | 108.4 | C89 I105 M106 I109 L121 E122 V123 I154 | L80-C89 HydrophobicContact CB-CB 4.49Å; L80-C89 PolarHBondContact N-O 2.6Å; L80-C89 PolarHBondContact O-N 3.01Å; L80-I105 HydrophobicContact CB-CG2 3.8Å; L80-I105 HydrophobicContact CD2-CG2 3.72Å; L80-I105 HydrophobicContact CG-CG2 4.41Å; L80-M106 HydrophobicContact CD2-SD 3.54Å; L80-M106 VanDerWaalsContact CD2-SD 3.54Å; L80-I109 HydrophobicContact CB-CG1 4.3Å; L80-I109 HydrophobicContact CD2-CB 4.14Å; L80-I109 HydrophobicContact CD2-CG1 3.83Å; L80-I109 HydrophobicContact CD2-CG2 4.48Å; L80-I109 HydrophobicContact CG-CG1 4.04Å; L80-I109 WeakPolarHBondContact O-CD1 3.46Å; L80-L121 HydrophobicContact CD1-CB 4.41Å; L80-E122 WeakPolarHBondContact CA-O 3.44Å; L80-V123 HydrophobicContact CD1-CB 3.94Å; L80-V123 HydrophobicContact CD1-CG2 4.26Å; L80-I154 HydrophobicContact CD1-CG2 4.21Å |
| 81 | R | 98.3 | Very high | 97.8 | Very high | 23 Ų | 23 | 9.9 Ų | 9.9 | 9% | 0.087 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 134.3 | -179.6 | -178.2 | 175.7 | 174.2 | 97 | -6.6 | 111.4 | G86 A87 T88 L121 E122 I184 A187 | R81-G86 PolarHBondContact NH1-O 2.75Å; R81-G86 VanDerWaalsContact NH1-O 3.16Å; R81-A87 CarbonylContact C-O 3.58Å; R81-A87 VanDerWaalsContact CA-O 3.26Å; R81-A87 WeakPolarHBondContact CA-O 3.45Å; R81-T88 PolarHBondContact NH1-OG1 2.82Å; R81-L121 CarbonylContact O-C 3.09Å; R81-L121 WeakPolarHBondContact O-CA 3.34Å; R81-E122 PolarHBondContact N-O 3.25Å; R81-E122 PolarHBondContact O-N 2.83Å; R81-I184 PolarHBondContact NH1-O 3.4Å; R81-I184 PolarHBondContact NH2-O 3.33Å; R81-A187 VanDerWaalsContact CZ-CB 3.49Å; R81-A187 VanDerWaalsContact NE-CB 3.3Å |
| 82 | H | 97.5 | Very high | 97.9 | Very high | 19 Ų | 19 | 8 Ų | 8 | 9% | 0.088 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 116.6 | 165.7 | -171.4 | -71.7 | 0 | 0 | 0 | 109.6 | G84 N85 G86 A87 I109 C118 L121 | H82-G84 VanDerWaalsContact C-N 3.33Å; H82-G84 PolarHBondContact ND1-N 2.99Å; H82-G84 VanDerWaalsContact ND1-N 3.2Å; H82-G84 PolarHBondContact O-N 2.94Å; H82-N85 WeakPolarHBondContact CB-OD1 3.41Å; H82-N85 PolarHBondContact ND1-OD1 3.06Å; H82-G86 CarbonylContact O-C 3.57Å; H82-G86 WeakPolarHBondContact O-CA 3.43Å; H82-G86 PolarHBondContact O-N 2.8Å; H82-A87 HydrophobicContact CB-CB 4.4Å; H82-A87 PolarHBondContact N-O 3.31Å; H82-I109 HydrophobicContact CB-CG2 4.18Å; H82-C118 PolarHBondContact CE1-O 3.3Å; H82-L121 HydrophobicContact CB-CD2 3.93Å |
| 83 | T | 96.9 | Very high | 98 | Very high | 52 Ų | 52 | 8 Ų | 8 | 32% | 0.319 | 5% | 0.051 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -20.3 | -170.4 | 59.6 | 0 | 0 | 0 | 0 | 114.4 | G119 R120 E122 | T83-G119 VanDerWaalsContact OG1-CA 3.25Å; T83-G119 WeakPolarHBondContact OG1-CA 3.29Å; T83-R120 PolarHBondContact N-O 2.76Å; T83-R120 PolarHBondContact OG1-N 2.87Å; T83-R120 PolarHBondContact OG1-O 3.35Å; T83-E122 HydrophobicContact CG2-CG 3.88Å |
| 84 | G | 95.5 | Very high | 98.1 | Very high | 31 Ų | 31 | 9.3 Ų | 9.3 | 32% | 0.32 | 6% | 0.058 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -54.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | H82 C118 | H82-G84 VanDerWaalsContact C-N 3.33Å; H82-G84 PolarHBondContact ND1-N 2.99Å; H82-G84 VanDerWaalsContact ND1-N 3.2Å; H82-G84 PolarHBondContact O-N 2.94Å; G84-C118 WeakPolarHBondContact CA-O 3.47Å |
| 85 | N | 94.4 | Very high | 98 | Very high | 22 Ų | 22 | 10.3 Ų | 10.3 | 12% | 0.118 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -5.5 | -178.9 | 60.9 | 21.1 | 0 | 0 | 0 | 113.6 | P59 H82 A87 F112 D114 H115 | P59-N85 WeakPolarHBondContact CD-O 3.36Å; H82-N85 WeakPolarHBondContact CB-OD1 3.41Å; H82-N85 PolarHBondContact ND1-OD1 3.06Å; N85-A87 PolarHBondContact O-N 2.88Å; N85-A87 VanDerWaalsContact OD1-CB 3.22Å; N85-A87 WeakPolarHBondContact OD1-CB 3.41Å; N85-A87 PolarHBondContact OD1-N 3.46Å; N85-F112 PolarHBondContact ND2-O 3.25Å; N85-D114 WeakPolarHBondContact CB-O 3.14Å; N85-D114 PolarHBondContact ND2-O 3.01Å; N85-H115 HydrophobicContact CB-CB 4.38Å |
| 86 | G | 96.6 | Very high | 98 | Very high | 3 Ų | 3 | 13.7 Ų | 13.7 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | trans | 72.9 | 8.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | P59 R81 H82 T88 | P59-G86 WeakPolarHBondContact CD-O 3.34Å; R81-G86 PolarHBondContact NH1-O 2.75Å; R81-G86 VanDerWaalsContact NH1-O 3.16Å; H82-G86 CarbonylContact O-C 3.57Å; H82-G86 WeakPolarHBondContact O-CA 3.43Å; H82-G86 PolarHBondContact O-N 2.8Å; G86-T88 PolarHBondContact O-N 3.35Å; G86-T88 VanDerWaalsContact O-N 3.16Å; G86-T88 PolarHBondContact O-OG1 3.34Å | ||
| 87 | A | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -54.1 | 125 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | T57 T58 R81 H82 N85 I109 F112 | T57-A87 CarbonylContact O-C 3.53Å; T57-A87 WeakPolarHBondContact O-CA 3.4Å; T58-A87 HydrophobicContact CG2-CB 4.07Å; R81-A87 CarbonylContact C-O 3.58Å; R81-A87 VanDerWaalsContact CA-O 3.26Å; R81-A87 WeakPolarHBondContact CA-O 3.45Å; H82-A87 HydrophobicContact CB-CB 4.4Å; H82-A87 PolarHBondContact N-O 3.31Å; N85-A87 PolarHBondContact O-N 2.88Å; N85-A87 VanDerWaalsContact OD1-CB 3.22Å; N85-A87 WeakPolarHBondContact OD1-CB 3.41Å; N85-A87 PolarHBondContact OD1-N 3.46Å; A87-I109 VanDerWaalsContact C-CD1 3.46Å; A87-I109 HydrophobicContact CB-CD1 3.82Å; A87-I109 WeakPolarHBondContact O-CD1 3.49Å; A87-F112 HydrophobicContact CB-CB 4.11Å; A87-F112 HydrophobicContact CB-CD2 3.88Å; A87-F112 HydrophobicContact CB-CG 4.07Å | ||
| 88 | T | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 120.5 | -172.6 | -55.8 | 0 | 0 | 0 | 0 | 108.5 | V56 T57 L67 V79 R81 G86 V182 I184 | V56-T88 WeakPolarHBondContact CA-O 3.47Å; T57-T88 PolarHBondContact N-O 2.93Å; T57-T88 PolarHBondContact O-N 2.95Å; L67-T88 HydrophobicContact CD1-CG2 4.45Å; V79-T88 HydrophobicContact CG1-CG2 3.91Å; R81-T88 PolarHBondContact NH1-OG1 2.82Å; G86-T88 PolarHBondContact O-N 3.35Å; G86-T88 VanDerWaalsContact O-N 3.16Å; G86-T88 PolarHBondContact O-OG1 3.34Å; T88-V182 HydrophobicContact CG2-CG1 3.94Å; T88-V182 HydrophobicContact CG2-CG2 3.99Å; T88-I184 HydrophobicContact CG2-CD1 3.64Å |
| 89 | C | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 130.7 | 176.5 | 176.7 | 0 | 0 | 0 | 0 | 108.1 | L54 A55 V56 V79 L80 I109 | L54-C89 VanDerWaalsContact CD1-SG 3.54Å; L54-C89 VanDerWaalsContact CG-SG 3.53Å; A55-C89 CarbonylContact O-C 3.56Å; A55-C89 VanDerWaalsContact O-CA 3.25Å; A55-C89 WeakPolarHBondContact O-CA 3.49Å; V56-C89 HydrophobicContact CB-CB 4.05Å; V56-C89 HydrophobicContact CG2-CB 3.88Å; V79-C89 CarbonylContact C-O 3.58Å; V79-C89 VanDerWaalsContact CA-O 3.25Å; V79-C89 WeakPolarHBondContact CA-O 3.27Å; L80-C89 HydrophobicContact CB-CB 4.49Å; L80-C89 PolarHBondContact N-O 2.6Å; L80-C89 PolarHBondContact O-N 3.01Å; C89-I109 HydrophobicContact CB-CD1 3.76Å; C89-I109 HydrophobicContact CB-CG1 3.65Å |
| 90 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 133.3 | 168 | -172.9 | 151 | 0 | 0 | 0 | 108.5 | V49 L54 A55 L67 I77 V78 V79 V182 | V49-L90 HydrophobicContact CB-CD2 3.67Å; V49-L90 HydrophobicContact CG1-CD2 4.09Å; V49-L90 HydrophobicContact CG2-CD2 3.79Å; L54-L90 WeakPolarHBondContact CA-O 3.29Å; A55-L90 PolarHBondContact N-O 2.78Å; A55-L90 PolarHBondContact O-N 3.02Å; L67-L90 HydrophobicContact CB-CB 3.85Å; L67-L90 HydrophobicContact CB-CD1 3.97Å; L67-L90 HydrophobicContact CB-CG 4.46Å; L67-L90 HydrophobicContact CD1-CB 3.81Å; L67-L90 HydrophobicContact CG-CB 4.48Å; I77-L90 HydrophobicContact CG2-CD1 4.12Å; I77-L90 HydrophobicContact CG2-CD2 4.03Å; I77-L90 HydrophobicContact CG2-CG 3.97Å; V78-L90 WeakPolarHBondContact O-CA 3.33Å; V79-L90 HydrophobicContact CG2-CB 4.44Å; V79-L90 HydrophobicContact CG2-CD1 3.99Å; V79-L90 HydrophobicContact CG2-CG 4.15Å; L90-V182 HydrophobicContact CD1-CG1 3.98Å |
| 91 | T | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 152.5 | 173.6 | -177 | 0 | 0 | 0 | 0 | 110.6 | E53 I77 V78 I105 M214 | E53-T91 WeakPolarHBondContact O-CA 3.41Å; E53-T91 PolarHBondContact O-OG1 2.92Å; E53-T91 VanDerWaalsContact O-OG1 3.11Å; I77-T91 WeakPolarHBondContact CA-O 3.42Å; V78-T91 HydrophobicContact CB-CG2 3.68Å; V78-T91 HydrophobicContact CG1-CG2 4.44Å; V78-T91 HydrophobicContact CG2-CG2 4.4Å; V78-T91 PolarHBondContact N-O 2.86Å; V78-T91 PolarHBondContact O-N 3.36Å; T91-I105 HydrophobicContact CG2-CD1 3.49Å; T91-I105 VanDerWaalsContact CG2-CD1 3.49Å; T91-I105 HydrophobicContact CG2-CG1 3.81Å; T91-M214 VanDerWaalsContact OG1-CE 3.27Å; T91-M214 WeakPolarHBondContact OG1-CE 3.21Å; T91-M214 PolarHBondContact OG1-SD 3.27Å |
| 92 | H | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 97.6 | 174.1 | -171.1 | 149.9 | 0 | 0 | 0 | 108.9 | R52 E53 S69 D70 C75 | R52-H92 PolarHBondContact N-O 3.45Å; E53-H92 PolarHBondContact O-N 3.07Å; S69-H92 PolarHBondContact OG-ND1 3.19Å; D70-H92 PolarHBondContact O-CE1 3.05Å; C75-H92 WeakPolarHBondContact CB-NE2 3.36Å |
| 93 | C | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 134.8 | -179.5 | -68.5 | 0 | 0 | 0 | 0 | 110.9 | C75 H76 E101 L139 | C75-C93 WeakPolarHBondContact CA-O 3.25Å; C75-C93 VanDerWaalsContact CB-O 3.31Å; C75-C93 WeakPolarHBondContact CB-O 3.49Å; H76-C93 PolarHBondContact N-O 3.32Å; H76-C93 PolarHBondContact O-N 2.92Å; C93-E101 PolarHBondContact SG-OE2 3.47Å; C93-E101 VanDerWaalsContact SG-OE2 3.35Å; C93-L139 HydrophobicContact CB-CD1 4.47Å; C93-L139 WeakPolarHBondContact O-CD2 3.43Å |
| 94 | D | 98.3 | Very high | 97.8 | Very high | 31 Ų | 31 | 28.8 Ų | 28.8 | 17% | 0.166 | 17% | 0.174 | C | C | . | . | trans | -117.8 | 5.8 | 176 | 69.2 | -5.5 | 0 | 0 | 0 | 113.6 | Q51 R52 C75 T96 | Q51-D94 HydrophobicContact CG-CB 3.87Å; Q51-D94 VanDerWaalsContact NE2-CB 3.26Å; Q51-D94 PolarHBondContact NE2-OD2 2.91Å; R52-D94 WeakPolarHBondContact CG-OD2 3.25Å; R52-D94 IonicContact CZ-OD2 3.58Å; R52-D94 IonicContact NE-OD1 2.68Å; R52-D94 IonicContact NE-OD2 3.67Å; R52-D94 PolarHBondContact NE-OD2 3.22Å; R52-D94 IonicContact NH2-OD2 3.83Å; R52-D94 PolarHBondContact NH2-OD2 2.83Å; C75-D94 HydrophobicContact CB-CB 4.46Å; C75-D94 VanDerWaalsContact SG-CB 3.6Å; D94-T96 VanDerWaalsContact CG-OG1 3.31Å; D94-T96 VanDerWaalsContact OD1-CB 3.28Å; D94-T96 WeakPolarHBondContact OD1-CB 3.4Å; D94-T96 PolarHBondContact OD1-N 3.28Å; D94-T96 PolarHBondContact OD1-OG1 2.85Å; D94-T96 PolarHBondContact OD2-OG1 3Å | ||
| 95 | G | 97.6 | Very high | 97.9 | Very high | 26 Ų | 26 | 27.4 Ų | 27.4 | 27% | 0.268 | 16% | 0.159 | S | C | . | . | S | Bend | trans | 82.1 | 16.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 96 | T | 97.1 | Very high | 98 | Very high | 74 Ų | 74 | 26.6 Ų | 26.6 | 45% | 0.454 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -61.1 | -55 | 174.3 | -63.9 | 0 | 0 | 0 | 0 | 111.9 | R52 D94 | R52-T96 PolarHBondContact NE-OG1 2.74Å; D94-T96 VanDerWaalsContact CG-OG1 3.31Å; D94-T96 VanDerWaalsContact OD1-CB 3.28Å; D94-T96 WeakPolarHBondContact OD1-CB 3.4Å; D94-T96 PolarHBondContact OD1-N 3.28Å; D94-T96 PolarHBondContact OD1-OG1 2.85Å; D94-T96 PolarHBondContact OD2-OG1 3Å |
| 97 | D | 97.8 | Very high | 98 | Very high | 86 Ų | 86 | 30.2 Ų | 30.2 | 46% | 0.46 | 18% | 0.18 | S | C | . | . | trans | -151 | 64.8 | 176.4 | -167.3 | -4.7 | 0 | 0 | 0 | 112.1 | K99 A100 E101 | D97-K99 PolarHBondContact O-N 3.18Å; D97-A100 HydrophobicContact CB-CB 4.22Å; D97-A100 PolarHBondContact O-N 2.92Å; D97-A100 PolarHBondContact OD1-N 2.81Å; D97-A100 WeakPolarHBondContact OD2-CB 3.38Å; D97-E101 PolarHBondContact N-OE1 2.83Å; D97-E101 WeakPolarHBondContact O-CG 3.25Å; D97-E101 PolarHBondContact O-N 2.84Å | ||
| 98 | T | 98.2 | Very high | 97.9 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -50.3 | -31.5 | -178.1 | -44.9 | 0 | 0 | 0 | 0 | 113.6 | E101 V102 Q142 L143 E146 | T98-E101 PolarHBondContact O-N 3.43Å; T98-V102 HydrophobicContact CG2-CG2 4.25Å; T98-V102 PolarHBondContact O-N 3.24Å; T98-V102 VanDerWaalsContact O-N 3.08Å; T98-Q142 HydrophobicContact CG2-CB 3.81Å; T98-Q142 PolarHBondContact OG1-OE1 3.11Å; T98-L143 HydrophobicContact CG2-CD2 3.59Å; T98-L143 HydrophobicContact CG2-CG 3.83Å; T98-E146 HydrophobicContact CG2-CG 4.35Å |
| 99 | K | 97.6 | Very high | 97.7 | Very high | 148 Ų | 148 | 31 Ų | 31 | 64% | 0.643 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -68.6 | -33.1 | 178.5 | -173.8 | -179.1 | 178 | -173.4 | 0 | 112.7 | D97 P103 | D97-K99 PolarHBondContact O-N 3.18Å; K99-P103 WeakPolarHBondContact O-CD 3.26Å; K99-P103 VanDerWaalsContact O-CG 3.26Å; K99-P103 WeakPolarHBondContact O-CG 3.49Å |
| 100 | A | 97.6 | Very high | 97.4 | Very high | 54 Ų | 54 | 35.9 Ų | 35.9 | 45% | 0.446 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -85.6 | -31.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D97 P103 L104 | D97-A100 HydrophobicContact CB-CB 4.22Å; D97-A100 PolarHBondContact O-N 2.92Å; D97-A100 PolarHBondContact OD1-N 2.81Å; D97-A100 WeakPolarHBondContact OD2-CB 3.38Å; A100-P103 WeakPolarHBondContact O-CD 3.49Å; A100-L104 PolarHBondContact O-N 3Å |
| 101 | E | 98.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 39 Ų | 39 | 2% | 0.023 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.6 | -45.1 | -176.4 | -66.9 | 167 | -160.7 | 0 | 0 | 112.8 | C93 D97 T98 L104 I105 M214 | C93-E101 PolarHBondContact SG-OE2 3.47Å; C93-E101 VanDerWaalsContact SG-OE2 3.35Å; D97-E101 PolarHBondContact N-OE1 2.83Å; D97-E101 WeakPolarHBondContact O-CG 3.25Å; D97-E101 PolarHBondContact O-N 2.84Å; T98-E101 PolarHBondContact O-N 3.43Å; E101-L104 WeakPolarHBondContact O-CA 3.44Å; E101-L104 VanDerWaalsContact O-CB 3.28Å; E101-L104 WeakPolarHBondContact O-CB 3.49Å; E101-L104 PolarHBondContact O-N 2.85Å; E101-I105 WeakPolarHBondContact O-CG1 3.45Å; E101-I105 PolarHBondContact O-N 3.16Å; E101-M214 HydrophobicContact CB-CE 3.84Å; E101-M214 HydrophobicContact CB-SD 3.83Å; E101-M214 HydrophobicContact CG-CB 3.87Å; E101-M214 HydrophobicContact CG-CE 3.43Å; E101-M214 VanDerWaalsContact CG-CE 3.43Å; E101-M214 HydrophobicContact CG-CG 4.45Å; E101-M214 HydrophobicContact CG-SD 3.74Å; E101-M214 WeakPolarHBondContact OE2-CE 3.37Å |
| 102 | V | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.1 | -45.5 | 180 | 171.4 | 0 | 0 | 0 | 0 | 112.8 | T98 L104 I105 M106 L143 E146 F147 Q150 | T98-V102 HydrophobicContact CG2-CG2 4.25Å; T98-V102 PolarHBondContact O-N 3.24Å; T98-V102 VanDerWaalsContact O-N 3.08Å; V102-L104 PolarHBondContact O-N 2.88Å; V102-I105 HydrophobicContact CG2-CD1 4.48Å; V102-I105 WeakPolarHBondContact O-CB 3.33Å; V102-I105 PolarHBondContact O-N 2.83Å; V102-I105 VanDerWaalsContact O-N 3.16Å; V102-M106 HydrophobicContact CG1-CG 4.35Å; V102-M106 WeakPolarHBondContact O-CG 3.32Å; V102-M106 PolarHBondContact O-N 3.01Å; V102-L143 HydrophobicContact CG2-CD2 4.08Å; V102-E146 HydrophobicContact CB-CB 3.9Å; V102-E146 HydrophobicContact CG1-CB 4.17Å; V102-E146 HydrophobicContact CG2-CB 3.74Å; V102-F147 HydrophobicContact CG1-CD1 3.66Å; V102-F147 HydrophobicContact CG1-CE1 3.72Å; V102-F147 HydrophobicContact CG1-CG 4.19Å; V102-F147 HydrophobicContact CG1-CZ 4.27Å; V102-F147 HydrophobicContact CG2-CD2 4.43Å; V102-F147 HydrophobicContact CG2-CE1 4.42Å; V102-F147 HydrophobicContact CG2-CE2 4.16Å; V102-F147 HydrophobicContact CG2-CZ 4.15Å; V102-Q150 HydrophobicContact CG1-CG 4.32Å |
| 103 | P | 97.1 | Very high | 95.6 | Very high | 58 Ų | 58 | 44.7 Ų | 44.7 | 38% | 0.377 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.5 | -35.5 | 170.8 | -28.3 | 35.9 | 0 | 0 | 0 | 114.1 | K99 A100 M106 S107 | K99-P103 WeakPolarHBondContact O-CD 3.26Å; K99-P103 VanDerWaalsContact O-CG 3.26Å; K99-P103 WeakPolarHBondContact O-CG 3.49Å; A100-P103 WeakPolarHBondContact O-CD 3.49Å; P103-M106 PolarHBondContact O-N 3.21Å; P103-S107 VanDerWaalsContact O-CB 3.23Å; P103-S107 WeakPolarHBondContact O-CB 3.41Å; P103-S107 PolarHBondContact O-N 2.85Å |
| 104 | L | 97.7 | Very high | 94.4 | Very high | 60 Ų | 60 | 48.5 Ų | 48.5 | 31% | 0.314 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 175.6 | -172.9 | 73.6 | 0 | 0 | 0 | 111.1 | L54 A100 E101 V102 S107 A108 M214 | L54-L104 HydrophobicContact CD1-CD2 4.32Å; L54-L104 HydrophobicContact CD1-CG 4.31Å; A100-L104 PolarHBondContact O-N 3Å; E101-L104 WeakPolarHBondContact O-CA 3.44Å; E101-L104 VanDerWaalsContact O-CB 3.28Å; E101-L104 WeakPolarHBondContact O-CB 3.49Å; E101-L104 PolarHBondContact O-N 2.85Å; V102-L104 PolarHBondContact O-N 2.88Å; L104-S107 PolarHBondContact O-N 2.85Å; L104-A108 VanDerWaalsContact O-CB 3.29Å; L104-A108 WeakPolarHBondContact O-CB 3.48Å; L104-A108 PolarHBondContact O-N 3.21Å; L104-M214 HydrophobicContact CD2-CB 4.26Å; L104-M214 HydrophobicContact CD2-CG 3.87Å; L104-M214 HydrophobicContact CD2-SD 4.22Å |
| 105 | I | 98.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.5 | -48.8 | 175.3 | -59.8 | 163.2 | 0 | 0 | 0 | 110.9 | L54 L80 T91 E101 V102 A108 I109 F147 | L54-I105 HydrophobicContact CD1-CB 4.24Å; L54-I105 HydrophobicContact CD1-CG1 3.71Å; L80-I105 HydrophobicContact CB-CG2 3.8Å; L80-I105 HydrophobicContact CD2-CG2 3.72Å; L80-I105 HydrophobicContact CG-CG2 4.41Å; T91-I105 HydrophobicContact CG2-CD1 3.49Å; T91-I105 VanDerWaalsContact CG2-CD1 3.49Å; T91-I105 HydrophobicContact CG2-CG1 3.81Å; E101-I105 WeakPolarHBondContact O-CG1 3.45Å; E101-I105 PolarHBondContact O-N 3.16Å; V102-I105 HydrophobicContact CG2-CD1 4.48Å; V102-I105 WeakPolarHBondContact O-CB 3.33Å; V102-I105 PolarHBondContact O-N 2.83Å; V102-I105 VanDerWaalsContact O-N 3.16Å; I105-A108 PolarHBondContact O-N 2.93Å; I105-I109 PolarHBondContact O-N 2.94Å; I105-I109 VanDerWaalsContact O-N 3.12Å; I105-F147 HydrophobicContact CD1-CZ 4.09Å |
| 106 | M | 97.2 | Very high | 91.6 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.03 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.2 | -45.1 | -179.7 | -67.8 | -61.2 | -66.6 | 0 | 0 | 111.5 | L80 V102 P103 A108 I109 K110 L121 F147 Q150 D152 I154 | L80-M106 HydrophobicContact CD2-SD 3.54Å; L80-M106 VanDerWaalsContact CD2-SD 3.54Å; V102-M106 HydrophobicContact CG1-CG 4.35Å; V102-M106 WeakPolarHBondContact O-CG 3.32Å; V102-M106 PolarHBondContact O-N 3.01Å; P103-M106 PolarHBondContact O-N 3.21Å; M106-A108 VanDerWaalsContact C-N 3.34Å; M106-A108 PolarHBondContact O-N 2.87Å; M106-I109 PolarHBondContact O-N 2.84Å; M106-K110 VanDerWaalsContact O-CB 3.31Å; M106-K110 WeakPolarHBondContact O-CB 3.43Å; M106-K110 VanDerWaalsContact O-CG 3.23Å; M106-K110 WeakPolarHBondContact O-CG 3.4Å; M106-K110 PolarHBondContact O-N 2.74Å; M106-L121 HydrophobicContact CE-CD1 3.9Å; M106-F147 HydrophobicContact SD-CE1 4.39Å; M106-Q150 HydrophobicContact CE-CB 4.25Å; M106-Q150 HydrophobicContact CE-CG 4.24Å; M106-Q150 HydrophobicContact CG-CG 4Å; M106-Q150 HydrophobicContact SD-CG 4.28Å; M106-D152 HydrophobicContact CE-CB 4.34Å; M106-D152 WeakPolarHBondContact CE-OD2 3.25Å; M106-I154 HydrophobicContact CE-CD1 3.73Å; M106-I154 HydrophobicContact CE-CG1 4.25Å; M106-I154 HydrophobicContact SD-CD1 3.61Å; M106-I154 HydrophobicContact SD-CG1 4.49Å |
| 107 | S | 96.1 | Very high | 90.5 | Very high | 78 Ų | 78 | 61.2 Ų | 61.2 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 176.7 | -175 | 0 | 0 | 0 | 0 | 112 | P103 L104 I109 K110 S111 | P103-S107 VanDerWaalsContact O-CB 3.23Å; P103-S107 WeakPolarHBondContact O-CB 3.41Å; P103-S107 PolarHBondContact O-N 2.85Å; L104-S107 PolarHBondContact O-N 2.85Å; S107-I109 PolarHBondContact O-N 2.75Å; S107-K110 PolarHBondContact O-N 2.82Å; S107-S111 PolarHBondContact O-N 2.85Å |
| 108 | A | 96.1 | Very high | 89.8 | Confident | 12 Ų | 12 | 61 Ų | 61 | 10% | 0.099 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.2 | -47 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L54 V56 L104 I105 M106 S111 | L54-A108 HydrophobicContact CD1-CB 4.41Å; L54-A108 HydrophobicContact CD2-CB 3.84Å; V56-A108 HydrophobicContact CB-CB 4.24Å; V56-A108 HydrophobicContact CG1-CB 3.94Å; L104-A108 VanDerWaalsContact O-CB 3.29Å; L104-A108 WeakPolarHBondContact O-CB 3.48Å; L104-A108 PolarHBondContact O-N 3.21Å; I105-A108 PolarHBondContact O-N 2.93Å; M106-A108 VanDerWaalsContact C-N 3.34Å; M106-A108 PolarHBondContact O-N 2.87Å; A108-S111 WeakPolarHBondContact O-CB 3.39Å; A108-S111 PolarHBondContact O-N 3.15Å; A108-S111 PolarHBondContact O-OG 2.54Å |
| 109 | I | 94.8 | Very high | 89.5 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.1 | -43.8 | 176 | -78.1 | -69.2 | 0 | 0 | 0 | 111.8 | V56 L80 H82 A87 C89 I105 M106 S107 S111 F112 L121 | V56-I109 HydrophobicContact CG2-CD1 3.82Å; V56-I109 HydrophobicContact CG2-CG1 4.41Å; L80-I109 HydrophobicContact CB-CG1 4.3Å; L80-I109 HydrophobicContact CD2-CB 4.14Å; L80-I109 HydrophobicContact CD2-CG1 3.83Å; L80-I109 HydrophobicContact CD2-CG2 4.48Å; L80-I109 HydrophobicContact CG-CG1 4.04Å; L80-I109 WeakPolarHBondContact O-CD1 3.46Å; H82-I109 HydrophobicContact CB-CG2 4.18Å; A87-I109 VanDerWaalsContact C-CD1 3.46Å; A87-I109 HydrophobicContact CB-CD1 3.82Å; A87-I109 WeakPolarHBondContact O-CD1 3.49Å; C89-I109 HydrophobicContact CB-CD1 3.76Å; C89-I109 HydrophobicContact CB-CG1 3.65Å; I105-I109 PolarHBondContact O-N 2.94Å; I105-I109 VanDerWaalsContact O-N 3.12Å; M106-I109 PolarHBondContact O-N 2.84Å; S107-I109 PolarHBondContact O-N 2.75Å; I109-S111 PolarHBondContact O-N 3.38Å; I109-F112 PolarHBondContact O-N 3.03Å; I109-L121 HydrophobicContact CG2-CD2 3.66Å |
| 110 | K | 92.7 | Very high | 89.5 | Confident | 103 Ų | 103 | 62 Ų | 62 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.4 | -16.6 | -179.8 | -73.5 | 179.1 | 175.1 | -169.5 | 0 | 113.9 | M106 S107 F112 D152 | M106-K110 VanDerWaalsContact O-CB 3.31Å; M106-K110 WeakPolarHBondContact O-CB 3.43Å; M106-K110 VanDerWaalsContact O-CG 3.23Å; M106-K110 WeakPolarHBondContact O-CG 3.4Å; M106-K110 PolarHBondContact O-N 2.74Å; S107-K110 PolarHBondContact O-N 2.82Å; K110-F112 PolarHBondContact O-N 3.21Å; K110-F112 VanDerWaalsContact O-N 3.15Å; K110-D152 VanDerWaalsContact CE-CG 3.42Å; K110-D152 VanDerWaalsContact CE-OD1 3.26Å; K110-D152 WeakPolarHBondContact CE-OD1 3.4Å; K110-D152 WeakPolarHBondContact CE-OD2 2.88Å; K110-D152 IonicContact NZ-OD1 3.25Å; K110-D152 PolarHBondContact NZ-OD1 3.12Å; K110-D152 VanDerWaalsContact NZ-OD1 3.08Å; K110-D152 IonicContact NZ-OD2 3.48Å; K110-D152 PolarHBondContact NZ-OD2 3.48Å |
| 111 | S | 92.8 | Very high | 89.4 | Confident | 65 Ų | 65 | 60 Ų | 60 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.6 | 174.3 | 78.7 | 0 | 0 | 0 | 0 | 113.3 | S107 A108 I109 | S107-S111 PolarHBondContact O-N 2.85Å; A108-S111 WeakPolarHBondContact O-CB 3.39Å; A108-S111 PolarHBondContact O-N 3.15Å; A108-S111 PolarHBondContact O-OG 2.54Å; I109-S111 PolarHBondContact O-N 3.38Å |
| 112 | F | 89.4 | Confident | 89.4 | Confident | 33 Ų | 33 | 61.2 Ų | 61.2 | 15% | 0.145 | 35% | 0.345 | C | S | . | . | trans | -95.1 | 100.8 | 172.1 | -58.3 | -84.4 | 0 | 0 | 0 | 110.1 | V56 T58 N85 A87 I109 K110 A220 | V56-F112 HydrophobicContact CB-CE2 4.26Å; V56-F112 HydrophobicContact CG1-CE2 3.81Å; V56-F112 HydrophobicContact CG1-CZ 4.27Å; V56-F112 HydrophobicContact CG2-CD2 4.21Å; V56-F112 HydrophobicContact CG2-CE2 3.49Å; V56-F112 VanDerWaalsContact CG2-CE2 3.49Å; V56-F112 HydrophobicContact CG2-CZ 4.33Å; T58-F112 HydrophobicContact CG2-CD1 3.37Å; T58-F112 HydrophobicContact CG2-CD2 4.4Å; T58-F112 HydrophobicContact CG2-CE1 3.44Å; T58-F112 VanDerWaalsContact CG2-CE1 3.44Å; T58-F112 HydrophobicContact CG2-CE2 4.48Å; T58-F112 HydrophobicContact CG2-CG 3.88Å; T58-F112 HydrophobicContact CG2-CZ 4.02Å; N85-F112 PolarHBondContact ND2-O 3.25Å; A87-F112 HydrophobicContact CB-CB 4.11Å; A87-F112 HydrophobicContact CB-CD2 3.88Å; A87-F112 HydrophobicContact CB-CG 4.07Å; I109-F112 PolarHBondContact O-N 3.03Å; K110-F112 PolarHBondContact O-N 3.21Å; K110-F112 VanDerWaalsContact O-N 3.15Å; F112-A220 HydrophobicContact CE1-CB 4.14Å; F112-A220 HydrophobicContact CZ-CB 3.93Å | ||
| 113 | S | 76.2 | Confident | 89.5 | Confident | 90 Ų | 90 | 61.2 Ų | 61.2 | 63% | 0.629 | 35% | 0.345 | S | S | * | . | trans | -84.7 | -11 | -177.2 | 53.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 114 | D | 73.6 | Confident | 89.6 | Confident | 81 Ų | 81 | 59 Ų | 59 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 136.3 | -175.8 | -65.2 | -9.6 | 0 | 0 | 0 | 110.5 | K60 N85 T116 | K60-D114 IonicContact NZ-OD2 2.71Å; K60-D114 PolarHBondContact NZ-OD2 3.16Å; N85-D114 WeakPolarHBondContact CB-O 3.14Å; N85-D114 PolarHBondContact ND2-O 3.01Å; D114-T116 PolarHBondContact O-N 3.41Å; D114-T116 VanDerWaalsContact O-N 3.1Å |
| 115 | H | 67.7 | Low | 89.6 | Confident | 127 Ų | 127 | 56.2 Ų | 56.2 | 59% | 0.588 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 33.2 | 170.5 | -51.3 | -66.2 | 0 | 0 | 0 | 115.7 | N85 E117 C118 | N85-H115 HydrophobicContact CB-CB 4.38Å; H115-E117 PolarHBondContact O-N 3.06Å; H115-C118 PolarHBondContact O-N 3.07Å |
| 116 | T | 69.8 | Low | 89.6 | Confident | 77 Ų | 77 | 56.2 Ų | 56.2 | 47% | 0.472 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -14.7 | 174.3 | 53.7 | 0 | 0 | 0 | 0 | 113.2 | D114 C118 | D114-T116 PolarHBondContact O-N 3.41Å; D114-T116 VanDerWaalsContact O-N 3.1Å; T116-C118 PolarHBondContact O-N 3.37Å |
| 117 | E | 72.6 | Confident | 89.7 | Confident | 193 Ų | 193 | 56 Ų | 56 | 90% | 0.902 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -12.9 | 175.6 | -59.7 | -175.7 | 171.7 | 0 | 0 | 113.3 | H115 | H115-E117 PolarHBondContact O-N 3.06Š|
| 118 | C | 84 | Confident | 89.8 | Confident | 82 Ų | 82 | 52.2 Ų | 52.2 | 55% | 0.554 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -118 | 145.2 | 178.6 | -69.2 | 0 | 0 | 0 | 0 | 110.4 | H82 G84 H115 T116 | H82-C118 PolarHBondContact CE1-O 3.3Å; G84-C118 WeakPolarHBondContact CA-O 3.47Å; H115-C118 PolarHBondContact O-N 3.07Å; T116-C118 PolarHBondContact O-N 3.37Å |
| 119 | G | 92.9 | Very high | 90 | Very high | 58 Ų | 58 | 52.1 Ų | 52.1 | 60% | 0.598 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 83.8 | -159.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T83 | T83-G119 VanDerWaalsContact OG1-CA 3.25Å; T83-G119 WeakPolarHBondContact OG1-CA 3.29Å |
| 120 | R | 95.6 | Very high | 90.1 | Very high | 114 Ų | 114 | 53.9 Ų | 53.9 | 43% | 0.43 | 30% | 0.299 | S | S | . | . | trans | -158.1 | 167.1 | -175.8 | 68.2 | -168 | -177.9 | 178.7 | -1.6 | 111.3 | T83 E122 | T83-R120 PolarHBondContact N-O 2.76Å; T83-R120 PolarHBondContact OG1-N 2.87Å; T83-R120 PolarHBondContact OG1-O 3.35Å; R120-E122 HydrophobicContact CG-CG 4.04Å; R120-E122 IonicContact CZ-OE1 3.72Å; R120-E122 IonicContact NE-OE1 2.91Å; R120-E122 PolarHBondContact NE-OE1 2.95Å; R120-E122 IonicContact NH2-OE1 3.7Å; R120-E122 PolarHBondContact NH2-OE1 2.92Å | ||
| 121 | L | 97.4 | Very high | 90.4 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 6% | 0.063 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 127.9 | 170.1 | -66.1 | 171.6 | 0 | 0 | 0 | 110.4 | L80 R81 H82 M106 I109 D152 I154 H155 | L80-L121 HydrophobicContact CD1-CB 4.41Å; R81-L121 CarbonylContact O-C 3.09Å; R81-L121 WeakPolarHBondContact O-CA 3.34Å; H82-L121 HydrophobicContact CB-CD2 3.93Å; M106-L121 HydrophobicContact CE-CD1 3.9Å; I109-L121 HydrophobicContact CG2-CD2 3.66Å; L121-D152 HydrophobicContact CD1-CB 3.81Å; L121-I154 HydrophobicContact CB-CG1 4.41Å; L121-I154 HydrophobicContact CD1-CG1 4.2Å; L121-H155 WeakPolarHBondContact O-CB 3.41Å; L121-H155 PolarHBondContact O-CD2 3.32Å; L121-H155 PolarHBondContact O-N 2.73Å |
| 122 | E | 98.4 | Very high | 90.6 | Very high | 31 Ų | 31 | 53.9 Ų | 53.9 | 15% | 0.145 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128.5 | 175 | -65 | -170.3 | 163.4 | 0 | 0 | 109.5 | L80 R81 T83 R120 H155 V157 | L80-E122 WeakPolarHBondContact CA-O 3.44Å; R81-E122 PolarHBondContact N-O 3.25Å; R81-E122 PolarHBondContact O-N 2.83Å; T83-E122 HydrophobicContact CG2-CG 3.88Å; R120-E122 HydrophobicContact CG-CG 4.04Å; R120-E122 IonicContact CZ-OE1 3.72Å; R120-E122 IonicContact NE-OE1 2.91Å; R120-E122 PolarHBondContact NE-OE1 2.95Å; R120-E122 IonicContact NH2-OE1 3.7Å; R120-E122 PolarHBondContact NH2-OE1 2.92Å; E122-H155 CarbonylContact C-O 3.59Å; E122-H155 WeakPolarHBondContact CA-O 3.5Å; E122-H155 HydrophobicContact CG-CB 4.39Å; E122-V157 HydrophobicContact CB-CG2 3.72Å; E122-V157 HydrophobicContact CG-CG2 3.71Å |
| 123 | V | 98.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 140.3 | 178.4 | 73 | 0 | 0 | 0 | 0 | 111.3 | L3 V78 V79 L80 L125 F147 I154 H155 L156 V157 T158 | L3-V123 HydrophobicContact CD1-CG1 3.91Å; V78-V123 HydrophobicContact CG1-CG2 3.93Å; V79-V123 CarbonylContact O-C 3.45Å; V79-V123 WeakPolarHBondContact O-CA 3.25Å; L80-V123 HydrophobicContact CD1-CB 3.94Å; L80-V123 HydrophobicContact CD1-CG2 4.26Å; V123-L125 HydrophobicContact CG1-CD1 4.07Å; V123-L125 HydrophobicContact CG2-CD1 3.86Å; V123-F147 HydrophobicContact CG2-CD2 4.39Å; V123-F147 HydrophobicContact CG2-CE1 4.32Å; V123-F147 HydrophobicContact CG2-CE2 3.96Å; V123-F147 HydrophobicContact CG2-CZ 3.92Å; V123-I154 HydrophobicContact CB-CG2 3.69Å; V123-I154 HydrophobicContact CG1-CG2 3.51Å; V123-H155 PolarHBondContact N-O 3.45Å; V123-L156 HydrophobicContact CG1-CB 4.27Å; V123-L156 HydrophobicContact CG1-CD1 3.95Å; V123-V157 PolarHBondContact O-N 3.12Å; V123-T158 PolarHBondContact O-N 3.33Å |
| 124 | H | 98.9 | Very high | 91.9 | Very high | 13 Ų | 13 | 60.4 Ų | 60.4 | 6% | 0.06 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128 | 180 | -51.3 | -98.6 | 0 | 0 | 0 | 108.6 | V78 V79 V157 T158 I189 | V78-H124 WeakPolarHBondContact CA-O 3.38Å; V79-H124 HydrophobicContact CB-CB 4.18Å; V79-H124 PolarHBondContact N-O 3.19Å; V79-H124 PolarHBondContact O-N 3.16Å; H124-V157 VanDerWaalsContact CE1-CG1 3.46Å; H124-V157 WeakPolarHBondContact CE1-CG1 3.35Å; H124-T158 WeakPolarHBondContact CA-O 3.24Å; H124-T158 WeakPolarHBondContact ND1-CB 2.99Å; H124-T158 PolarHBondContact ND1-OG1 2.96Å; H124-I189 HydrophobicContact CB-CD1 3.69Å |
| 125 | L | 98.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.3 | 178.8 | -63.1 | 86.7 | 0 | 0 | 0 | 108.7 | V78 V123 L143 L156 T158 L159 C160 V161 | V78-L125 HydrophobicContact CG2-CG 4.43Å; V123-L125 HydrophobicContact CG1-CD1 4.07Å; V123-L125 HydrophobicContact CG2-CD1 3.86Å; L125-L143 HydrophobicContact CD2-CB 3.77Å; L125-L143 HydrophobicContact CD2-CD1 4.04Å; L125-L143 HydrophobicContact CD2-CG 4.49Å; L125-L156 HydrophobicContact CD1-CD1 3.48Å; L125-L156 VanDerWaalsContact CD1-CD1 3.48Å; L125-T158 PolarHBondContact N-O 2.79Å; L125-L159 HydrophobicContact CB-CD1 4.23Å; L125-C160 PolarHBondContact O-N 2.9Å; L125-V161 HydrophobicContact CB-CG1 3.86Å; L125-V161 WeakPolarHBondContact O-CG1 3.41Å |
| 126 | V | 98.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 138.5 | -179.6 | -172 | 0 | 0 | 0 | 0 | 109.4 | L33 H76 I77 T158 C160 I177 I180 | L33-V126 HydrophobicContact CD2-CG1 4.17Å; L33-V126 HydrophobicContact CD2-CG2 3.72Å; H76-V126 CarbonylContact C-O 3.56Å; H76-V126 WeakPolarHBondContact CA-O 3.42Å; I77-V126 PolarHBondContact N-O 3.22Å; I77-V126 PolarHBondContact O-N 2.96Å; V126-T158 HydrophobicContact CG2-CG2 4.26Å; V126-C160 WeakPolarHBondContact CA-O 3.26Å; V126-C160 HydrophobicContact CG1-CB 4.48Å; V126-I177 HydrophobicContact CG1-CB 4.04Å; V126-I177 HydrophobicContact CG1-CD1 3.92Å; V126-I177 HydrophobicContact CG1-CG2 3.75Å; V126-I180 HydrophobicContact CB-CD1 4.16Å; V126-I180 HydrophobicContact CB-CG2 4.34Å; V126-I180 HydrophobicContact CG1-CG2 3.95Å; V126-I180 HydrophobicContact CG2-CD1 4.04Å; V126-I180 HydrophobicContact CG2-CG2 4.49Å |
| 127 | G | 98.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 124.3 | 179.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | C75 C160 V161 T162 | C75-G127 CarbonylContact O-C 3.5Å; C75-G127 WeakPolarHBondContact O-CA 3.5Å; G127-C160 PolarHBondContact N-O 2.81Å; G127-V161 CarbonylContact O-C 3.54Å; G127-V161 WeakPolarHBondContact O-CA 3.43Å; G127-V161 VanDerWaalsContact O-CB 3.32Å; G127-V161 WeakPolarHBondContact O-CB 3.28Å; G127-T162 PolarHBondContact O-N 2.94Å; G127-T162 VanDerWaalsContact O-N 3.16Å |
| 128 | G | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | 73.2 | 168.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T73 C75 S136 N165 | T73-G128 CarbonylContact O-C 3.59Å; T73-G128 WeakPolarHBondContact O-CA 3.32Å; T73-G128 PolarHBondContact O-N 3.35Å; C75-G128 PolarHBondContact O-N 3.03Å; G128-S136 VanDerWaalsContact CA-OG 3.3Å; G128-S136 WeakPolarHBondContact CA-OG 3.35Å; G128-N165 VanDerWaalsContact O-CB 3.32Å; G128-N165 WeakPolarHBondContact O-CB 3.29Å; G128-N165 PolarHBondContact O-ND2 3.42Å | ||
| 129 | F | 98.7 | Very high | 97.9 | Very high | 10 Ų | 10 | 46 Ų | 46 | 4% | 0.044 | 23% | 0.23 | C | C | . | . | trans | -152.9 | -174.4 | 173.4 | 69.3 | -77.4 | 0 | 0 | 0 | 109.6 | T74 D131 S136 T162 D166 H173 P175 A259 | T74-F129 HydrophobicContact CG2-CE1 3.93Å; F129-D131 HydrophobicContact CD1-CB 4.24Å; F129-D131 HydrophobicContact CD2-CB 4.17Å; F129-D131 HydrophobicContact CE1-CB 3.74Å; F129-D131 HydrophobicContact CE2-CB 3.66Å; F129-D131 HydrophobicContact CG-CB 4.44Å; F129-D131 HydrophobicContact CZ-CB 3.42Å; F129-D131 VanDerWaalsContact CZ-CB 3.42Å; F129-D131 PolarHBondContact O-N 3.24Å; F129-S136 PolarHBondContact N-OG 2.83Å; F129-S136 WeakPolarHBondContact O-CB 3.4Å; F129-S136 PolarHBondContact O-OG 2.97Å; F129-S136 VanDerWaalsContact O-OG 3.12Å; F129-T162 WeakPolarHBondContact CA-O 3.47Å; F129-D166 HydrophobicContact CB-CB 4.47Å; F129-H173 HydrophobicContact CD2-CB 3.83Å; F129-H173 HydrophobicContact CE2-CB 4Å; F129-H173 WeakPolarHBondContact CE2-O 3.18Å; F129-P175 HydrophobicContact CB-CB 4.01Å; F129-P175 HydrophobicContact CD1-CB 4.38Å; F129-P175 HydrophobicContact CD1-CG 4.14Å; F129-P175 HydrophobicContact CG-CB 4.48Å; F129-A259 HydrophobicContact CE1-CB 3.81Å; F129-A259 HydrophobicContact CE2-CB 4.18Å; F129-A259 HydrophobicContact CZ-CB 3.51Å | ||
| 130 | S | 98.3 | Very high | 98.2 | Very high | 41 Ų | 41 | 43.3 Ų | 43.3 | 29% | 0.287 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -78.1 | 67.9 | 175.4 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | D166 H173 | S130-D166 WeakPolarHBondContact CB-OD1 3.34Å; S130-D166 PolarHBondContact N-OD1 2.92Å; S130-D166 VanDerWaalsContact OG-CG 3.31Å; S130-H173 WeakPolarHBondContact O-CB 3.08Å |
| 131 | D | 97.9 | Very high | 98.3 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | trans | -78.6 | 144.4 | -175.3 | 71.9 | -85.6 | 0 | 0 | 0 | 113.8 | T74 F129 R133 Q134 L135 S136 | T74-D131 HydrophobicContact CG2-CB 4.12Å; F129-D131 HydrophobicContact CD1-CB 4.24Å; F129-D131 HydrophobicContact CD2-CB 4.17Å; F129-D131 HydrophobicContact CE1-CB 3.74Å; F129-D131 HydrophobicContact CE2-CB 3.66Å; F129-D131 HydrophobicContact CG-CB 4.44Å; F129-D131 HydrophobicContact CZ-CB 3.42Å; F129-D131 VanDerWaalsContact CZ-CB 3.42Å; F129-D131 PolarHBondContact O-N 3.24Å; D131-R133 PolarHBondContact O-N 2.9Å; D131-R133 PolarHBondContact OD2-N 3.38Å; D131-Q134 PolarHBondContact O-N 3.37Å; D131-Q134 PolarHBondContact OD2-N 2.93Å; D131-L135 PolarHBondContact OD1-N 3.08Å; D131-L135 WeakPolarHBondContact OD2-CB 3.43Å; D131-L135 PolarHBondContact OD2-N 3.02Å; D131-S136 WeakPolarHBondContact OD1-CB 3.16Å; D131-S136 PolarHBondContact OD1-N 3.34Å; D131-S136 PolarHBondContact OD1-OG 2.86Å | ||
| 132 | D | 96.6 | Very high | 98.3 | Very high | 154 Ų | 154 | 43 Ų | 43 | 82% | 0.824 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27.9 | -178.6 | -66.6 | -27.2 | 0 | 0 | 0 | 114 | ||
| 133 | R | 97.1 | Very high | 98.4 | Very high | 131 Ų | 131 | 41.6 Ų | 41.6 | 49% | 0.494 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 0.3 | -175.7 | -61.6 | -177.3 | -177.5 | 173.5 | -5 | 112.6 | D131 L135 S254 T255 | D131-R133 PolarHBondContact O-N 2.9Å; D131-R133 PolarHBondContact OD2-N 3.38Å; R133-L135 HydrophobicContact CB-CD1 3.89Å; R133-L135 HydrophobicContact CB-CG 3.71Å; R133-L135 PolarHBondContact O-N 3.28Å; R133-L135 VanDerWaalsContact O-N 3.15Å; R133-S254 PolarHBondContact NH1-O 3.44Å; R133-T255 WeakPolarHBondContact CD-O 3.42Å; R133-T255 PolarHBondContact NH1-O 3Å |
| 134 | Q | 97.6 | Very high | 98.3 | Very high | 129 Ų | 129 | 41.6 Ų | 41.6 | 60% | 0.603 | 20% | 0.199 | S | C | * | . | trans | 54.2 | 26.6 | -177.8 | -56.6 | 179.8 | 1.1 | 0 | 0 | 113.7 | D131 K138 | D131-Q134 PolarHBondContact O-N 3.37Å; D131-Q134 PolarHBondContact OD2-N 2.93Å; Q134-K138 VanDerWaalsContact O-CB 3.27Å; Q134-K138 WeakPolarHBondContact O-CB 3.49Å; Q134-K138 PolarHBondContact O-N 3.27Å | ||
| 135 | L | 98.4 | Very high | 98.3 | Very high | 54 Ų | 54 | 42.8 Ų | 42.8 | 28% | 0.283 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.7 | -43.7 | -177.4 | -64.4 | 174.3 | 0 | 0 | 0 | 110.8 | T74 D131 R133 Q137 K138 L139 T255 | T74-L135 HydrophobicContact CG2-CB 4.18Å; T74-L135 HydrophobicContact CG2-CD1 4.34Å; D131-L135 PolarHBondContact OD1-N 3.08Å; D131-L135 WeakPolarHBondContact OD2-CB 3.43Å; D131-L135 PolarHBondContact OD2-N 3.02Å; R133-L135 HydrophobicContact CB-CD1 3.89Å; R133-L135 HydrophobicContact CB-CG 3.71Å; R133-L135 PolarHBondContact O-N 3.28Å; R133-L135 VanDerWaalsContact O-N 3.15Å; L135-Q137 PolarHBondContact O-N 2.93Å; L135-K138 PolarHBondContact O-N 2.94Å; L135-L139 WeakPolarHBondContact O-CB 3.26Å; L135-L139 PolarHBondContact O-N 2.93Å; L135-T255 HydrophobicContact CD1-CG2 4.05Å |
| 136 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.9 | -44 | 177.9 | -51.3 | 0 | 0 | 0 | 0 | 111.3 | H76 G128 F129 D131 L139 T140 T162 | H76-S136 PolarHBondContact CE1-O 3.22Å; G128-S136 VanDerWaalsContact CA-OG 3.3Å; G128-S136 WeakPolarHBondContact CA-OG 3.35Å; F129-S136 PolarHBondContact N-OG 2.83Å; F129-S136 WeakPolarHBondContact O-CB 3.4Å; F129-S136 PolarHBondContact O-OG 2.97Å; F129-S136 VanDerWaalsContact O-OG 3.12Å; D131-S136 WeakPolarHBondContact OD1-CB 3.16Å; D131-S136 PolarHBondContact OD1-N 3.34Å; D131-S136 PolarHBondContact OD1-OG 2.86Å; S136-L139 PolarHBondContact O-N 2.79Å; S136-T140 WeakPolarHBondContact O-CB 3.41Å; S136-T140 PolarHBondContact O-N 3.07Å; S136-T140 PolarHBondContact O-OG1 2.85Å; S136-T162 VanDerWaalsContact C-OG1 3.23Å; S136-T162 PolarHBondContact O-OG1 3.4Å; S136-T162 VanDerWaalsContact O-OG1 3.14Å |
| 137 | Q | 98.2 | Very high | 98.2 | Very high | 78 Ų | 78 | 44 Ų | 44 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 177.5 | -173 | -177.3 | 9.2 | 0 | 0 | 110.7 | L135 T140 H141 T162 | L135-Q137 PolarHBondContact O-N 2.93Å; Q137-T140 PolarHBondContact O-N 3.5Å; Q137-H141 PolarHBondContact O-N 2.79Å; Q137-H141 PolarHBondContact O-ND1 2.79Å; Q137-T162 HydrophobicContact CB-CG2 3.99Å |
| 138 | K | 98.5 | Very high | 98.1 | Very high | 120 Ų | 120 | 45 Ų | 45 | 52% | 0.522 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.3 | -48.1 | 176.6 | 179.4 | -175.8 | 173.9 | -169.8 | 0 | 111.5 | Q134 L135 T140 H141 Q142 | Q134-K138 VanDerWaalsContact O-CB 3.27Å; Q134-K138 WeakPolarHBondContact O-CB 3.49Å; Q134-K138 PolarHBondContact O-N 3.27Å; L135-K138 PolarHBondContact O-N 2.94Å; K138-T140 VanDerWaalsContact C-N 3.34Å; K138-T140 PolarHBondContact O-N 2.82Å; K138-H141 PolarHBondContact O-N 2.92Å; K138-Q142 WeakPolarHBondContact O-CG 3.41Å; K138-Q142 PolarHBondContact O-N 3.02Å |
| 139 | L | 98.7 | Very high | 98 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -41.5 | 179.3 | -179.5 | 51.9 | 0 | 0 | 0 | 111.5 | H76 C93 L135 S136 H141 Q142 L143 | H76-L139 HydrophobicContact CB-CD2 4.02Å; H76-L139 HydrophobicContact CB-CG 4.41Å; H76-L139 WeakPolarHBondContact ND1-CD2 3.41Å; C93-L139 HydrophobicContact CB-CD1 4.47Å; C93-L139 WeakPolarHBondContact O-CD2 3.43Å; L135-L139 WeakPolarHBondContact O-CB 3.26Å; L135-L139 PolarHBondContact O-N 2.93Å; S136-L139 PolarHBondContact O-N 2.79Å; L139-H141 PolarHBondContact O-N 3.18Å; L139-Q142 PolarHBondContact O-N 3.29Å; L139-L143 HydrophobicContact CD1-CD1 3.86Å; L139-L143 HydrophobicContact CD1-CG 3.96Å; L139-L143 HydrophobicContact CG-CD1 3.89Å; L139-L143 HydrophobicContact CG-CG 4.46Å; L139-L143 WeakPolarHBondContact O-CG 3.32Å; L139-L143 PolarHBondContact O-N 3.19Å |
| 140 | T | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.012 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.2 | -49.3 | 173.6 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | A16 H76 S136 Q137 K138 Q142 L143 L144 V161 T162 | A16-T140 HydrophobicContact CB-CG2 4.29Å; H76-T140 PolarHBondContact NE2-OG1 2.62Å; S136-T140 WeakPolarHBondContact O-CB 3.41Å; S136-T140 PolarHBondContact O-N 3.07Å; S136-T140 PolarHBondContact O-OG1 2.85Å; Q137-T140 PolarHBondContact O-N 3.5Å; K138-T140 VanDerWaalsContact C-N 3.34Å; K138-T140 PolarHBondContact O-N 2.82Å; T140-Q142 VanDerWaalsContact C-N 3.34Å; T140-Q142 PolarHBondContact O-N 3.44Å; T140-L143 PolarHBondContact O-N 2.94Å; T140-L144 HydrophobicContact CG2-CD1 3.85Å; T140-L144 HydrophobicContact CG2-CG 4.38Å; T140-L144 WeakPolarHBondContact O-CB 3.34Å; T140-L144 VanDerWaalsContact O-CG 3.28Å; T140-L144 WeakPolarHBondContact O-CG 3.48Å; T140-L144 PolarHBondContact O-N 3.07Å; T140-V161 HydrophobicContact CG2-CG2 3.7Å; T140-T162 PolarHBondContact OG1-OG1 2.93Å |
| 141 | H | 98.3 | Very high | 97.7 | Very high | 60 Ų | 60 | 57 Ų | 57 | 28% | 0.278 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 178.6 | -78 | 80.5 | 0 | 0 | 0 | 112.1 | Q137 K138 L139 S145 | Q137-H141 PolarHBondContact O-N 2.79Å; Q137-H141 PolarHBondContact O-ND1 2.79Å; K138-H141 PolarHBondContact O-N 2.92Å; L139-H141 PolarHBondContact O-N 3.18Å; H141-S145 WeakPolarHBondContact O-CB 3.06Å; H141-S145 PolarHBondContact O-N 3.03Å |
| 142 | Q | 98.5 | Very high | 97.4 | Very high | 61 Ų | 61 | 58.8 Ų | 58.8 | 29% | 0.285 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.5 | -50.5 | 177.9 | -71.3 | 176 | -24.3 | 0 | 0 | 111.2 | T98 K138 L139 T140 S145 E146 | T98-Q142 HydrophobicContact CG2-CB 3.81Å; T98-Q142 PolarHBondContact OG1-OE1 3.11Å; K138-Q142 WeakPolarHBondContact O-CG 3.41Å; K138-Q142 PolarHBondContact O-N 3.02Å; L139-Q142 PolarHBondContact O-N 3.29Å; T140-Q142 VanDerWaalsContact C-N 3.34Å; T140-Q142 PolarHBondContact O-N 3.44Å; Q142-S145 PolarHBondContact O-N 2.9Å; Q142-E146 WeakPolarHBondContact O-CB 3.37Å; Q142-E146 WeakPolarHBondContact O-CG 3.28Å; Q142-E146 PolarHBondContact O-N 3.32Å |
| 143 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61 | -48.9 | -179 | -75.1 | 166.5 | 0 | 0 | 0 | 111.7 | H76 V78 T98 V102 L125 L139 T140 S145 E146 F147 | H76-L143 HydrophobicContact CB-CD1 3.74Å; V78-L143 HydrophobicContact CG2-CD1 4.02Å; V78-L143 HydrophobicContact CG2-CD2 4.18Å; T98-L143 HydrophobicContact CG2-CD2 3.59Å; T98-L143 HydrophobicContact CG2-CG 3.83Å; V102-L143 HydrophobicContact CG2-CD2 4.08Å; L125-L143 HydrophobicContact CD2-CB 3.77Å; L125-L143 HydrophobicContact CD2-CD1 4.04Å; L125-L143 HydrophobicContact CD2-CG 4.49Å; L139-L143 HydrophobicContact CD1-CD1 3.86Å; L139-L143 HydrophobicContact CD1-CG 3.96Å; L139-L143 HydrophobicContact CG-CD1 3.89Å; L139-L143 HydrophobicContact CG-CG 4.46Å; L139-L143 WeakPolarHBondContact O-CG 3.32Å; L139-L143 PolarHBondContact O-N 3.19Å; T140-L143 PolarHBondContact O-N 2.94Å; L143-S145 VanDerWaalsContact C-N 3.33Å; L143-S145 PolarHBondContact O-N 2.6Å; L143-E146 PolarHBondContact O-N 3.08Å; L143-F147 HydrophobicContact CD2-CE2 4.19Å; L143-F147 WeakPolarHBondContact O-CB 3.25Å; L143-F147 WeakPolarHBondContact O-CD2 3.26Å; L143-F147 PolarHBondContact O-N 3.35Å |
| 144 | L | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.5 | -44 | 177.7 | -66.9 | 174.8 | 0 | 0 | 0 | 111.6 | L3 L12 L19 T140 D148 L156 L159 | L3-L144 HydrophobicContact CD2-CB 4.37Å; L3-L144 HydrophobicContact CD2-CD2 3.66Å; L12-L144 HydrophobicContact CD1-CB 4.01Å; L12-L144 WeakPolarHBondContact CD1-O 3.21Å; L12-L144 HydrophobicContact CD2-CB 4.17Å; L12-L144 HydrophobicContact CD2-CD1 4.4Å; L19-L144 HydrophobicContact CD1-CD1 3.86Å; T140-L144 HydrophobicContact CG2-CD1 3.85Å; T140-L144 HydrophobicContact CG2-CG 4.38Å; T140-L144 WeakPolarHBondContact O-CB 3.34Å; T140-L144 VanDerWaalsContact O-CG 3.28Å; T140-L144 WeakPolarHBondContact O-CG 3.48Å; T140-L144 PolarHBondContact O-N 3.07Å; L144-D148 WeakPolarHBondContact O-CB 3.46Å; L144-D148 PolarHBondContact O-N 2.92Å; L144-L156 HydrophobicContact CD2-CD2 4.17Å; L144-L159 HydrophobicContact CD2-CD1 4.36Å |
| 145 | S | 97.7 | Very high | 97.5 | Very high | 37 Ų | 37 | 43.5 Ų | 43.5 | 26% | 0.259 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.3 | -47.8 | 177.1 | 160.1 | 0 | 0 | 0 | 0 | 112.2 | H141 Q142 L143 D148 K149 | H141-S145 WeakPolarHBondContact O-CB 3.06Å; H141-S145 PolarHBondContact O-N 3.03Å; Q142-S145 PolarHBondContact O-N 2.9Å; L143-S145 VanDerWaalsContact C-N 3.33Å; L143-S145 PolarHBondContact O-N 2.6Å; S145-D148 PolarHBondContact O-N 3.02Å; S145-K149 VanDerWaalsContact O-CG 3.27Å; S145-K149 WeakPolarHBondContact O-CG 3.36Å; S145-K149 PolarHBondContact O-N 3.38Å; S145-K149 VanDerWaalsContact OG-CE 3.24Å; S145-K149 WeakPolarHBondContact OG-CE 3.45Å; S145-K149 PolarHBondContact OG-NZ 3.47Å; S145-K149 VanDerWaalsContact OG-NZ 3.14Å |
| 146 | E | 98.2 | Very high | 97.5 | Very high | 26 Ų | 26 | 41.3 Ų | 41.3 | 12% | 0.121 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71 | -32.4 | -177 | -65.6 | -45.6 | 121.1 | 0 | 0 | 112.4 | T98 V102 Q142 L143 K149 Q150 | T98-E146 HydrophobicContact CG2-CG 4.35Å; V102-E146 HydrophobicContact CB-CB 3.9Å; V102-E146 HydrophobicContact CG1-CB 4.17Å; V102-E146 HydrophobicContact CG2-CB 3.74Å; Q142-E146 WeakPolarHBondContact O-CB 3.37Å; Q142-E146 WeakPolarHBondContact O-CG 3.28Å; Q142-E146 PolarHBondContact O-N 3.32Å; L143-E146 PolarHBondContact O-N 3.08Å; E146-K149 IonicContact OE1-NZ 3.84Å; E146-K149 PolarHBondContact OE1-NZ 2.84Å; E146-K149 IonicContact OE2-NZ 2.64Å; E146-Q150 PolarHBondContact O-NE2 3.21Å |
| 147 | F | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.2 | -38.6 | 170.4 | -77.5 | -60.7 | 0 | 0 | 0 | 112.6 | L3 V78 V102 I105 M106 V123 L143 K149 Q150 I154 | L3-F147 HydrophobicContact CD1-CB 4.09Å; V78-F147 HydrophobicContact CG1-CE2 3.96Å; V78-F147 HydrophobicContact CG1-CZ 3.84Å; V102-F147 HydrophobicContact CG1-CD1 3.66Å; V102-F147 HydrophobicContact CG1-CE1 3.72Å; V102-F147 HydrophobicContact CG1-CG 4.19Å; V102-F147 HydrophobicContact CG1-CZ 4.27Å; V102-F147 HydrophobicContact CG2-CD2 4.43Å; V102-F147 HydrophobicContact CG2-CE1 4.42Å; V102-F147 HydrophobicContact CG2-CE2 4.16Å; V102-F147 HydrophobicContact CG2-CZ 4.15Å; I105-F147 HydrophobicContact CD1-CZ 4.09Å; M106-F147 HydrophobicContact SD-CE1 4.39Å; V123-F147 HydrophobicContact CG2-CD2 4.39Å; V123-F147 HydrophobicContact CG2-CE1 4.32Å; V123-F147 HydrophobicContact CG2-CE2 3.96Å; V123-F147 HydrophobicContact CG2-CZ 3.92Å; L143-F147 HydrophobicContact CD2-CE2 4.19Å; L143-F147 WeakPolarHBondContact O-CB 3.25Å; L143-F147 WeakPolarHBondContact O-CD2 3.26Å; L143-F147 PolarHBondContact O-N 3.35Å; F147-K149 PolarHBondContact O-N 2.98Å; F147-Q150 WeakPolarHBondContact O-CB 3.32Å; F147-Q150 WeakPolarHBondContact O-CG 3.41Å; F147-Q150 PolarHBondContact O-N 3.17Å; F147-Q150 VanDerWaalsContact O-N 3.17Å; F147-I154 HydrophobicContact CB-CD1 4.42Å; F147-I154 HydrophobicContact CD1-CD1 3.73Å |
| 148 | D | 97.4 | Very high | 97.5 | Very high | 23 Ų | 23 | 38.6 Ų | 38.6 | 12% | 0.123 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.3 | -22.3 | 176.8 | -175.5 | 69.5 | 0 | 0 | 0 | 113.6 | P2 L3 R9 L12 L144 S145 Q150 | P2-D148 WeakPolarHBondContact CB-OD1 3.25Å; L3-D148 HydrophobicContact CB-CB 3.95Å; L3-D148 PolarHBondContact N-OD1 2.68Å; R9-D148 IonicContact CZ-OD1 3.5Å; R9-D148 IonicContact CZ-OD2 3.21Å; R9-D148 IonicContact NE-OD1 3.4Å; R9-D148 PolarHBondContact NE-OD1 3.28Å; R9-D148 IonicContact NE-OD2 3.82Å; R9-D148 IonicContact NH2-OD1 2.73Å; R9-D148 PolarHBondContact NH2-OD1 2.91Å; R9-D148 IonicContact NH2-OD2 2.69Å; R9-D148 PolarHBondContact NH2-OD2 2.95Å; L12-D148 HydrophobicContact CD1-CB 3.68Å; L144-D148 WeakPolarHBondContact O-CB 3.46Å; L144-D148 PolarHBondContact O-N 2.92Å; S145-D148 PolarHBondContact O-N 3.02Å; D148-Q150 VanDerWaalsContact C-N 3.34Å |
| 149 | K | 96.5 | Very high | 97.5 | Very high | 122 Ų | 122 | 32.9 Ų | 32.9 | 53% | 0.53 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -8.8 | 176.7 | -71.8 | 169.5 | -166.6 | 171.3 | 0 | 114.1 | S145 E146 F147 | S145-K149 VanDerWaalsContact O-CG 3.27Å; S145-K149 WeakPolarHBondContact O-CG 3.36Å; S145-K149 PolarHBondContact O-N 3.38Å; S145-K149 VanDerWaalsContact OG-CE 3.24Å; S145-K149 WeakPolarHBondContact OG-CE 3.45Å; S145-K149 PolarHBondContact OG-NZ 3.47Å; S145-K149 VanDerWaalsContact OG-NZ 3.14Å; E146-K149 IonicContact OE1-NZ 3.84Å; E146-K149 PolarHBondContact OE1-NZ 2.84Å; E146-K149 IonicContact OE2-NZ 2.64Å; F147-K149 PolarHBondContact O-N 2.98Å |
| 150 | Q | 95.9 | Very high | 97.5 | Very high | 36 Ų | 36 | 32.6 Ų | 32.6 | 17% | 0.168 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -70.3 | 156.4 | 179.6 | -57.4 | -54.3 | -58.4 | 0 | 0 | 111.4 | V102 M106 E146 F147 D148 I154 | V102-Q150 HydrophobicContact CG1-CG 4.32Å; M106-Q150 HydrophobicContact CE-CB 4.25Å; M106-Q150 HydrophobicContact CE-CG 4.24Å; M106-Q150 HydrophobicContact CG-CG 4Å; M106-Q150 HydrophobicContact SD-CG 4.28Å; E146-Q150 PolarHBondContact O-NE2 3.21Å; F147-Q150 WeakPolarHBondContact O-CB 3.32Å; F147-Q150 WeakPolarHBondContact O-CG 3.41Å; F147-Q150 PolarHBondContact O-N 3.17Å; F147-Q150 VanDerWaalsContact O-N 3.17Å; D148-Q150 VanDerWaalsContact C-N 3.34Å; Q150-I154 HydrophobicContact CB-CD1 3.84Å; Q150-I154 HydrophobicContact CG-CD1 3.82Å |
| 151 | D | 93.1 | Very high | 97.5 | Very high | 143 Ų | 143 | 32.5 Ų | 32.5 | 77% | 0.765 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -78.3 | -28.8 | -179.8 | -70 | -39.9 | 0 | 0 | 0 | 112.6 | M1 | M1-D151 PolarHBondContact N-O 3.09Å; M1-D151 CarbonylContact O-C 3.53Å |
| 152 | D | 93.4 | Very high | 97.5 | Very high | 52 Ų | 52 | 30 Ų | 30 | 28% | 0.278 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -86.5 | 147.8 | -178.8 | -37.8 | -98 | 0 | 0 | 0 | 112.2 | M1 M106 K110 L121 I154 | M1-D152 CarbonylContact O-C 3.31Å; M106-D152 HydrophobicContact CE-CB 4.34Å; M106-D152 WeakPolarHBondContact CE-OD2 3.25Å; K110-D152 VanDerWaalsContact CE-CG 3.42Å; K110-D152 VanDerWaalsContact CE-OD1 3.26Å; K110-D152 WeakPolarHBondContact CE-OD1 3.4Å; K110-D152 WeakPolarHBondContact CE-OD2 2.88Å; K110-D152 IonicContact NZ-OD1 3.25Å; K110-D152 PolarHBondContact NZ-OD1 3.12Å; K110-D152 VanDerWaalsContact NZ-OD1 3.08Å; K110-D152 IonicContact NZ-OD2 3.48Å; K110-D152 PolarHBondContact NZ-OD2 3.48Å; L121-D152 HydrophobicContact CD1-CB 3.81Å; D152-I154 PolarHBondContact O-N 3.44Å |
| 153 | D | 95.7 | Very high | 97.4 | Very high | 64 Ų | 64 | 30 Ų | 30 | 34% | 0.342 | 15% | 0.154 | S | C | . | . | trans | -66.5 | 114.8 | 171.8 | -71.9 | -25.5 | 0 | 0 | 0 | 110.7 | M1 L4 | M1-D153 VanDerWaalsContact C-OD1 3.28Å; M1-D153 WeakPolarHBondContact CB-OD1 3.49Å; M1-D153 WeakPolarHBondContact CE-OD1 3.34Å; L4-D153 HydrophobicContact CD1-CB 3.9Å | ||
| 154 | I | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 116.7 | 177.9 | -58.9 | 171.9 | 0 | 0 | 0 | 108.2 | L3 L4 L80 M106 L121 V123 F147 Q150 D152 L156 | L3-I154 CarbonylContact C-O 3.56Å; L3-I154 WeakPolarHBondContact CA-O 3.4Å; L3-I154 HydrophobicContact CD1-CB 4.25Å; L3-I154 HydrophobicContact CD1-CG2 4Å; L4-I154 PolarHBondContact N-O 2.69Å; L80-I154 HydrophobicContact CD1-CG2 4.21Å; M106-I154 HydrophobicContact CE-CD1 3.73Å; M106-I154 HydrophobicContact CE-CG1 4.25Å; M106-I154 HydrophobicContact SD-CD1 3.61Å; M106-I154 HydrophobicContact SD-CG1 4.49Å; L121-I154 HydrophobicContact CB-CG1 4.41Å; L121-I154 HydrophobicContact CD1-CG1 4.2Å; V123-I154 HydrophobicContact CB-CG2 3.69Å; V123-I154 HydrophobicContact CG1-CG2 3.51Å; F147-I154 HydrophobicContact CB-CD1 4.42Å; F147-I154 HydrophobicContact CD1-CD1 3.73Å; Q150-I154 HydrophobicContact CB-CD1 3.84Å; Q150-I154 HydrophobicContact CG-CD1 3.82Å; D152-I154 PolarHBondContact O-N 3.44Å; I154-L156 PolarHBondContact O-N 3.48Å |
| 155 | H | 98.1 | Very high | 97.3 | Very high | 29 Ų | 29 | 31.1 Ų | 31.1 | 13% | 0.134 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 114.5 | 178.6 | -65.9 | -99.1 | 0 | 0 | 0 | 110 | L4 L121 E122 V123 V157 | L4-H155 CarbonylContact O-C 3.59Å; L4-H155 WeakPolarHBondContact O-CA 3.19Å; L121-H155 WeakPolarHBondContact O-CB 3.41Å; L121-H155 PolarHBondContact O-CD2 3.32Å; L121-H155 PolarHBondContact O-N 2.73Å; E122-H155 CarbonylContact C-O 3.59Å; E122-H155 WeakPolarHBondContact CA-O 3.5Å; E122-H155 HydrophobicContact CG-CB 4.39Å; V123-H155 PolarHBondContact N-O 3.45Å; H155-V157 HydrophobicContact CB-CG2 4.34Å; H155-V157 PolarHBondContact O-N 2.95Å |
| 156 | L | 98.4 | Very high | 97.4 | Very high | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 110.5 | 170.2 | 177.5 | 61.8 | 0 | 0 | 0 | 108.9 | L3 L4 V5 L26 V123 L125 L144 I154 L159 | L3-L156 HydrophobicContact CD1-CB 4.01Å; L3-L156 HydrophobicContact CD2-CD2 4.47Å; L3-L156 HydrophobicContact CG-CB 4.25Å; L4-L156 PolarHBondContact O-N 2.9Å; V5-L156 HydrophobicContact CG2-CB 3.87Å; V5-L156 HydrophobicContact CG2-CD2 3.94Å; V5-L156 HydrophobicContact CG2-CG 4.25Å; L26-L156 HydrophobicContact CD1-CD2 4.21Å; L26-L156 HydrophobicContact CD2-CG 4.29Å; V123-L156 HydrophobicContact CG1-CB 4.27Å; V123-L156 HydrophobicContact CG1-CD1 3.95Å; L125-L156 HydrophobicContact CD1-CD1 3.48Å; L125-L156 VanDerWaalsContact CD1-CD1 3.48Å; L144-L156 HydrophobicContact CD2-CD2 4.17Å; I154-L156 PolarHBondContact O-N 3.48Å; L156-L159 HydrophobicContact CD1-CB 4.34Å; L156-L159 HydrophobicContact CD2-CB 4.36Å; L156-L159 HydrophobicContact CD2-CD2 4.25Å |
| 157 | V | 98.4 | Very high | 97.4 | Very high | 10 Ų | 10 | 33.8 Ų | 33.8 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -33.4 | -175 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | R29 E122 V123 H124 H155 | R29-V157 WeakPolarHBondContact CD-O 3.47Å; E122-V157 HydrophobicContact CB-CG2 3.72Å; E122-V157 HydrophobicContact CG-CG2 3.71Å; V123-V157 PolarHBondContact O-N 3.12Å; H124-V157 VanDerWaalsContact CE1-CG1 3.46Å; H124-V157 WeakPolarHBondContact CE1-CG1 3.35Å; H155-V157 HydrophobicContact CB-CG2 4.34Å; H155-V157 PolarHBondContact O-N 2.95Å |
| 158 | T | 98.5 | Very high | 97.3 | Very high | 11 Ų | 11 | 39.5 Ų | 39.5 | 7% | 0.067 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 125.9 | 177.5 | -56.3 | 0 | 0 | 0 | 0 | 109.6 | L33 V123 H124 L125 V126 | L33-T158 HydrophobicContact CD2-CG2 4.05Å; V123-T158 PolarHBondContact O-N 3.33Å; H124-T158 WeakPolarHBondContact CA-O 3.24Å; H124-T158 WeakPolarHBondContact ND1-CB 2.99Å; H124-T158 PolarHBondContact ND1-OG1 2.96Å; L125-T158 PolarHBondContact N-O 2.79Å; V126-T158 HydrophobicContact CG2-CG2 4.26Å |
| 159 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 97.5 | 173.7 | -172.9 | 67.4 | 0 | 0 | 0 | 107.4 | A16 L19 V20 L125 L144 L156 V161 L164 | A16-L159 HydrophobicContact CB-CD2 3.93Å; A16-L159 HydrophobicContact CB-CG 4.29Å; L19-L159 HydrophobicContact CB-CD2 4.09Å; L19-L159 HydrophobicContact CD1-CD2 4.06Å; V20-L159 HydrophobicContact CG2-CD2 4.31Å; L125-L159 HydrophobicContact CB-CD1 4.23Å; L144-L159 HydrophobicContact CD2-CD1 4.36Å; L156-L159 HydrophobicContact CD1-CB 4.34Å; L156-L159 HydrophobicContact CD2-CB 4.36Å; L156-L159 HydrophobicContact CD2-CD2 4.25Å; L159-V161 HydrophobicContact CD1-CG1 4.44Å; L159-V161 HydrophobicContact CD1-CG2 3.6Å; L159-V161 HydrophobicContact CG-CG2 4.11Å; L159-L164 HydrophobicContact CD2-CD1 4.49Å; L159-L164 HydrophobicContact CG-CD1 4.26Å; L159-L164 WeakPolarHBondContact O-CD1 3.46Å |
| 160 | C | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 70.7 | 178 | -170.7 | 0 | 0 | 0 | 0 | 108.7 | A30 L33 L125 V126 G127 | A30-C160 HydrophobicContact CB-CB 4.11Å; L33-C160 HydrophobicContact CD2-CB 4.2Å; L125-C160 PolarHBondContact O-N 2.9Å; V126-C160 WeakPolarHBondContact CA-O 3.26Å; V126-C160 HydrophobicContact CG1-CB 4.48Å; G127-C160 PolarHBondContact N-O 2.81Å |
| 161 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 159.7 | -170 | -60 | 0 | 0 | 0 | 0 | 113 | A16 H76 L125 G127 T140 L159 E163 L164 | A16-V161 HydrophobicContact CB-CG2 3.85Å; H76-V161 VanDerWaalsContact CD2-CG1 3.43Å; H76-V161 WeakPolarHBondContact CD2-CG1 3.39Å; H76-V161 WeakPolarHBondContact NE2-CB 3.36Å; L125-V161 HydrophobicContact CB-CG1 3.86Å; L125-V161 WeakPolarHBondContact O-CG1 3.41Å; G127-V161 CarbonylContact O-C 3.54Å; G127-V161 WeakPolarHBondContact O-CA 3.43Å; G127-V161 VanDerWaalsContact O-CB 3.32Å; G127-V161 WeakPolarHBondContact O-CB 3.28Å; T140-V161 HydrophobicContact CG2-CG2 3.7Å; L159-V161 HydrophobicContact CD1-CG1 4.44Å; L159-V161 HydrophobicContact CD1-CG2 3.6Å; L159-V161 HydrophobicContact CG-CG2 4.11Å; V161-E163 PolarHBondContact O-N 3.09Å; V161-E163 VanDerWaalsContact O-N 3.13Å; V161-L164 WeakPolarHBondContact O-CB 3.31Å; V161-L164 PolarHBondContact O-N 2.75Å |
| 162 | T | 98.3 | Very high | 97.2 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.043 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | 49.7 | -117.2 | 174.4 | -49.8 | 0 | 0 | 0 | 0 | 110.4 | G127 F129 S136 Q137 T140 L164 N165 D166 | G127-T162 PolarHBondContact O-N 2.94Å; G127-T162 VanDerWaalsContact O-N 3.16Å; F129-T162 WeakPolarHBondContact CA-O 3.47Å; S136-T162 VanDerWaalsContact C-OG1 3.23Å; S136-T162 PolarHBondContact O-OG1 3.4Å; S136-T162 VanDerWaalsContact O-OG1 3.14Å; Q137-T162 HydrophobicContact CB-CG2 3.99Å; T140-T162 PolarHBondContact OG1-OG1 2.93Å; T162-L164 PolarHBondContact O-N 3.22Å; T162-L164 VanDerWaalsContact O-N 3.12Å; T162-N165 CarbonylContact O-C 3.59Å; T162-N165 PolarHBondContact O-N 3.34Å; T162-D166 PolarHBondContact O-N 2.9Å |
| 163 | E | 96.8 | Very high | 97.4 | Very high | 62 Ų | 62 | 47 Ų | 47 | 29% | 0.29 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -64.3 | -21.5 | -177.3 | 67.1 | -87.3 | -156.3 | 0 | 0 | 113.3 | A16 A17 V161 N165 | A16-E163 PolarHBondContact N-OE1 3.04Å; A16-E163 VanDerWaalsContact N-OE1 3.09Å; A17-E163 HydrophobicContact CB-CG 3.62Å; A17-E163 WeakPolarHBondContact CB-OE1 3.38Å; A17-E163 PolarHBondContact N-OE1 3.43Å; V161-E163 PolarHBondContact O-N 3.09Å; V161-E163 VanDerWaalsContact O-N 3.13Å; E163-N165 VanDerWaalsContact C-N 3.34Å |
| 164 | L | 97.8 | Very high | 97.5 | Very high | 24 Ų | 24 | 45.6 Ų | 45.6 | 13% | 0.126 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -84 | -12.3 | 176.3 | -59.1 | 168.1 | 0 | 0 | 0 | 112.8 | A16 A17 V20 R34 L159 V161 T162 | A16-L164 HydrophobicContact CB-CD1 3.75Å; A16-L164 HydrophobicContact CB-CG 4.36Å; A17-L164 HydrophobicContact CB-CD2 4.46Å; V20-L164 HydrophobicContact CB-CD1 4.16Å; V20-L164 HydrophobicContact CB-CD2 4.16Å; V20-L164 HydrophobicContact CG1-CD2 4.2Å; V20-L164 HydrophobicContact CG2-CD1 3.37Å; V20-L164 HydrophobicContact CG2-CD2 4.19Å; V20-L164 HydrophobicContact CG2-CG 4.42Å; R34-L164 VanDerWaalsContact CD-O 3.25Å; R34-L164 WeakPolarHBondContact CD-O 3.32Å; R34-L164 PolarHBondContact NH1-O 3.02Å; L159-L164 HydrophobicContact CD2-CD1 4.49Å; L159-L164 HydrophobicContact CG-CD1 4.26Å; L159-L164 WeakPolarHBondContact O-CD1 3.46Å; V161-L164 WeakPolarHBondContact O-CB 3.31Å; V161-L164 PolarHBondContact O-N 2.75Å; T162-L164 PolarHBondContact O-N 3.22Å; T162-L164 VanDerWaalsContact O-N 3.12Å |
| 165 | N | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -114.3 | 14.4 | 176.8 | -169.7 | 45.4 | 0 | 0 | 0 | 111.3 | G128 T162 E163 P175 I176 I177 | G128-N165 VanDerWaalsContact O-CB 3.32Å; G128-N165 WeakPolarHBondContact O-CB 3.29Å; G128-N165 PolarHBondContact O-ND2 3.42Å; T162-N165 CarbonylContact O-C 3.59Å; T162-N165 PolarHBondContact O-N 3.34Å; E163-N165 VanDerWaalsContact C-N 3.34Å; N165-P175 CarbonylContact O-C 3.27Å; N165-P175 VanDerWaalsContact O-CA 3.28Å; N165-P175 WeakPolarHBondContact O-CA 3.23Å; N165-I176 PolarHBondContact O-N 3.05Å; N165-I177 PolarHBondContact ND2-O 3.16Å; N165-I177 VanDerWaalsContact OD1-CB 3.27Å; N165-I177 WeakPolarHBondContact OD1-CB 3.47Å; N165-I177 WeakPolarHBondContact OD1-CG1 3.32Å; N165-I177 PolarHBondContact OD1-N 2.93Å |
| 166 | D | 98.3 | Very high | 97.5 | Very high | 32 Ų | 32 | 45.9 Ų | 45.9 | 17% | 0.171 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 141.2 | -173.7 | -171.7 | 72.8 | 0 | 0 | 0 | 112.6 | F129 S130 T162 H173 I176 | F129-D166 HydrophobicContact CB-CB 4.47Å; S130-D166 WeakPolarHBondContact CB-OD1 3.34Å; S130-D166 PolarHBondContact N-OD1 2.92Å; S130-D166 VanDerWaalsContact OG-CG 3.31Å; T162-D166 PolarHBondContact O-N 2.9Å; D166-H173 WeakPolarHBondContact OD1-CB 3.32Å; D166-H173 IonicContact OD1-CG 3.08Å; D166-H173 IonicContact OD1-ND1 3.87Å; D166-H173 PolarHBondContact OD1-ND1 3.4Å; D166-H173 IonicContact OD2-CE1 3.61Å; D166-H173 IonicContact OD2-CG 3.4Å; D166-H173 IonicContact OD2-ND1 2.6Å; D166-H173 PolarHBondContact OD2-ND1 2.93Å; D166-I176 VanDerWaalsContact O-CD1 3.25Å; D166-I176 WeakPolarHBondContact O-CD1 3.31Å |
| 167 | R | 97.8 | Very high | 97.6 | Very high | 87 Ų | 87 | 45.7 Ų | 45.7 | 33% | 0.328 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 146.3 | 162.7 | 66.9 | 177.8 | -165.8 | -108.1 | -4.3 | 109.9 | E169 H173 F174 P175 I176 | R167-E169 WeakPolarHBondContact CD-OE1 3.38Å; R167-E169 IonicContact CZ-OE1 2.75Å; R167-E169 IonicContact NE-OE1 3.84Å; R167-E169 PolarHBondContact NE-OE1 3.13Å; R167-E169 IonicContact NH2-OE1 3.79Å; R167-H173 CarbonylContact O-C 3.3Å; R167-H173 WeakPolarHBondContact O-CA 3.2Å; R167-F174 HydrophobicContact CG-CB 4.04Å; R167-F174 WeakPolarHBondContact CG-O 3.12Å; R167-F174 PolarHBondContact N-O 3.21Å; R167-F174 PolarHBondContact O-N 3.12Å; R167-P175 PolarHBondContact NH1-O 2.77Å; R167-I176 HydrophobicContact CB-CD1 4.23Å; R167-I176 HydrophobicContact CB-CG1 3.76Å; R167-I176 HydrophobicContact CG-CG1 4.05Å |
| 168 | E | 97.4 | Very high | 97.6 | Very high | 121 Ų | 121 | 47.4 Ų | 47.4 | 57% | 0.565 | 23% | 0.226 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.5 | 177.2 | -167.2 | -173 | 143.4 | 0 | 0 | 110.2 | N172 H173 | E168-N172 CarbonylContact C-O 3.52Å; E168-N172 WeakPolarHBondContact CA-O 3.39Å; E168-H173 IonicContact OE2-CE1 3.68Å |
| 169 | E | 95.6 | Very high | 97.6 | Very high | 90 Ų | 90 | 47 Ų | 47 | 42% | 0.421 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 117.4 | 174.6 | -65.8 | 178.5 | -151.2 | 0 | 0 | 109.2 | R167 E171 N172 F174 | R167-E169 WeakPolarHBondContact CD-OE1 3.38Å; R167-E169 IonicContact CZ-OE1 2.75Å; R167-E169 IonicContact NE-OE1 3.84Å; R167-E169 PolarHBondContact NE-OE1 3.13Å; R167-E169 IonicContact NH2-OE1 3.79Å; E169-E171 PolarHBondContact O-N 3.47Å; E169-N172 PolarHBondContact N-O 3.09Å; E169-N172 WeakPolarHBondContact O-CB 3.26Å; E169-N172 PolarHBondContact O-N 3.3Å; E169-F174 HydrophobicContact CB-CD2 4.22Å; E169-F174 HydrophobicContact CB-CE2 3.91Å |
| 170 | N | 94.8 | Very high | 97.6 | Very high | 149 Ų | 149 | 47 Ų | 47 | 80% | 0.797 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 50.8 | -178.2 | -51.5 | -57.8 | 0 | 0 | 0 | 113 | N172 | N170-N172 PolarHBondContact O-N 2.95Å; N170-N172 VanDerWaalsContact O-N 3.09Å; N170-N172 PolarHBondContact O-ND2 3.22Å |
| 171 | E | 93.8 | Very high | 97.6 | Very high | 173 Ų | 173 | 47 Ų | 47 | 81% | 0.808 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 9.3 | -178.4 | -50.9 | 178.7 | 167.6 | 0 | 0 | 114.7 | E169 | E169-E171 PolarHBondContact O-N 3.47Š|
| 172 | N | 95.5 | Very high | 97.6 | Very high | 64 Ų | 64 | 47 Ų | 47 | 34% | 0.342 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 140.6 | 174.2 | -63.4 | -80.1 | 0 | 0 | 0 | 110.1 | E168 E169 N170 F174 L258 | E168-N172 CarbonylContact C-O 3.52Å; E168-N172 WeakPolarHBondContact CA-O 3.39Å; E169-N172 PolarHBondContact N-O 3.09Å; E169-N172 WeakPolarHBondContact O-CB 3.26Å; E169-N172 PolarHBondContact O-N 3.3Å; N170-N172 PolarHBondContact O-N 2.95Å; N170-N172 VanDerWaalsContact O-N 3.09Å; N170-N172 PolarHBondContact O-ND2 3.22Å; N172-F174 HydrophobicContact CB-CD2 4.49Å; N172-F174 HydrophobicContact CB-CE2 3.5Å; N172-F174 HydrophobicContact CB-CZ 3.73Å; N172-F174 WeakPolarHBondContact O-CD2 3.33Å; N172-F174 VanDerWaalsContact O-CE2 3.26Å; N172-F174 WeakPolarHBondContact O-CE2 3.46Å; N172-L258 WeakPolarHBondContact OD1-CD1 3.34Å |
| 173 | H | 98 | Very high | 97.6 | Very high | 58 Ų | 58 | 48.5 Ų | 48.5 | 27% | 0.269 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 142 | -178.4 | -71.1 | -85.7 | 0 | 0 | 0 | 111.6 | F129 S130 D166 R167 E168 | F129-H173 HydrophobicContact CD2-CB 3.83Å; F129-H173 HydrophobicContact CE2-CB 4Å; F129-H173 WeakPolarHBondContact CE2-O 3.18Å; S130-H173 WeakPolarHBondContact O-CB 3.08Å; D166-H173 WeakPolarHBondContact OD1-CB 3.32Å; D166-H173 IonicContact OD1-CG 3.08Å; D166-H173 IonicContact OD1-ND1 3.87Å; D166-H173 PolarHBondContact OD1-ND1 3.4Å; D166-H173 IonicContact OD2-CE1 3.61Å; D166-H173 IonicContact OD2-CG 3.4Å; D166-H173 IonicContact OD2-ND1 2.6Å; D166-H173 PolarHBondContact OD2-ND1 2.93Å; R167-H173 CarbonylContact O-C 3.3Å; R167-H173 WeakPolarHBondContact O-CA 3.2Å; E168-H173 IonicContact OE2-CE1 3.68Å |
| 174 | F | 98.2 | Very high | 97.7 | Very high | 34 Ų | 34 | 45.6 Ų | 45.6 | 15% | 0.149 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 151.9 | -177.1 | -56 | -95.1 | 0 | 0 | 0 | 111.1 | R167 E169 N172 L258 A259 | R167-F174 HydrophobicContact CG-CB 4.04Å; R167-F174 WeakPolarHBondContact CG-O 3.12Å; R167-F174 PolarHBondContact N-O 3.21Å; R167-F174 PolarHBondContact O-N 3.12Å; E169-F174 HydrophobicContact CB-CD2 4.22Å; E169-F174 HydrophobicContact CB-CE2 3.91Å; N172-F174 HydrophobicContact CB-CD2 4.49Å; N172-F174 HydrophobicContact CB-CE2 3.5Å; N172-F174 HydrophobicContact CB-CZ 3.73Å; N172-F174 WeakPolarHBondContact O-CD2 3.33Å; N172-F174 VanDerWaalsContact O-CE2 3.26Å; N172-F174 WeakPolarHBondContact O-CE2 3.46Å; F174-L258 WeakPolarHBondContact CE1-O 3.43Å; F174-A259 HydrophobicContact CD1-CB 4.09Å |
| 175 | P | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 142.4 | 170.6 | 26.6 | -28.3 | 0 | 0 | 0 | 111.6 | F129 N165 R167 Y178 | F129-P175 HydrophobicContact CB-CB 4.01Å; F129-P175 HydrophobicContact CD1-CB 4.38Å; F129-P175 HydrophobicContact CD1-CG 4.14Å; F129-P175 HydrophobicContact CG-CB 4.48Å; N165-P175 CarbonylContact O-C 3.27Å; N165-P175 VanDerWaalsContact O-CA 3.28Å; N165-P175 WeakPolarHBondContact O-CA 3.23Å; R167-P175 PolarHBondContact NH1-O 2.77Å; P175-Y178 HydrophobicContact CB-CE2 4.45Å; P175-Y178 HydrophobicContact CG-CD1 4.09Å; P175-Y178 HydrophobicContact CG-CD2 4.27Å; P175-Y178 HydrophobicContact CG-CE1 3.61Å; P175-Y178 HydrophobicContact CG-CE2 3.79Å; P175-Y178 HydrophobicContact CG-CG 4.41Å; P175-Y178 VanDerWaalsContact CG-CZ 3.44Å; P175-Y178 WeakPolarHBondContact O-CE2 3.3Å |
| 176 | I | 98.4 | Very high | 97.6 | Very high | 35 Ų | 35 | 55.2 Ų | 55.2 | 18% | 0.179 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -77.5 | -46 | 172 | -65.8 | 172.2 | 0 | 0 | 0 | 109.5 | R34 N165 D166 R167 R191 | R34-I176 HydrophobicContact CB-CG2 4.42Å; R34-I176 HydrophobicContact CG-CG2 4.27Å; N165-I176 PolarHBondContact O-N 3.05Å; D166-I176 VanDerWaalsContact O-CD1 3.25Å; D166-I176 WeakPolarHBondContact O-CD1 3.31Å; R167-I176 HydrophobicContact CB-CD1 4.23Å; R167-I176 HydrophobicContact CB-CG1 3.76Å; R167-I176 HydrophobicContact CG-CG1 4.05Å; I176-R191 PolarHBondContact O-NH2 3.2Å |
| 177 | I | 98.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | trans | -109.6 | 116 | -178.8 | -52.5 | 173 | 0 | 0 | 0 | 108.7 | L33 R34 V126 N165 G179 I180 R191 | L33-I177 HydrophobicContact CD2-CD1 3.85Å; L33-I177 HydrophobicContact CG-CD1 3.71Å; R34-I177 HydrophobicContact CG-CD1 4.17Å; V126-I177 HydrophobicContact CG1-CB 4.04Å; V126-I177 HydrophobicContact CG1-CD1 3.92Å; V126-I177 HydrophobicContact CG1-CG2 3.75Å; N165-I177 PolarHBondContact ND2-O 3.16Å; N165-I177 VanDerWaalsContact OD1-CB 3.27Å; N165-I177 WeakPolarHBondContact OD1-CB 3.47Å; N165-I177 WeakPolarHBondContact OD1-CG1 3.32Å; N165-I177 PolarHBondContact OD1-N 2.93Å; I177-G179 WeakPolarHBondContact CG2-O 3.38Å; I177-I180 HydrophobicContact CG2-CG2 3.72Å; I177-R191 HydrophobicContact CD1-CG 4.19Å; I177-R191 HydrophobicContact CG1-CG 4.1Å; I177-R191 HydrophobicContact CG2-CG 4.19Å | ||
| 178 | Y | 98.6 | Very high | 97.6 | Very high | 46 Ų | 46 | 56.2 Ų | 56.2 | 18% | 0.18 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -94.9 | -32.8 | 173 | -72.9 | -99.9 | 0 | 0 | 0 | 112 | D70 D71 A72 T73 P175 A259 P261 | D70-Y178 CarbonylContact C-O 3.58Å; D70-Y178 VanDerWaalsContact OD1-C 3.26Å; D71-Y178 PolarHBondContact N-O 2.85Å; A72-Y178 WeakPolarHBondContact CB-O 3.14Å; A72-Y178 PolarHBondContact N-O 3.14Å; T73-Y178 HydrophobicContact CG2-CD1 4.4Å; T73-Y178 HydrophobicContact CG2-CE1 4Å; P175-Y178 HydrophobicContact CB-CE2 4.45Å; P175-Y178 HydrophobicContact CG-CD1 4.09Å; P175-Y178 HydrophobicContact CG-CD2 4.27Å; P175-Y178 HydrophobicContact CG-CE1 3.61Å; P175-Y178 HydrophobicContact CG-CE2 3.79Å; P175-Y178 HydrophobicContact CG-CG 4.41Å; P175-Y178 VanDerWaalsContact CG-CZ 3.44Å; P175-Y178 WeakPolarHBondContact O-CE2 3.3Å; Y178-A259 WeakPolarHBondContact CE1-O 3.07Å; Y178-A259 PolarHBondContact OH-O 2.81Å; Y178-P261 HydrophobicContact CD1-CG 4.13Å; Y178-P261 HydrophobicContact CE1-CG 4.16Å |
| 179 | G | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | trans | -140.9 | 148 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | S69 D70 I177 A192 | S69-G179 CarbonylContact O-C 3.57Å; S69-G179 WeakPolarHBondContact O-CA 3.32Å; D70-G179 VanDerWaalsContact OD1-CA 3.29Å; D70-G179 WeakPolarHBondContact OD1-CA 3.45Å; D70-G179 PolarHBondContact OD1-N 2.84Å; I177-G179 WeakPolarHBondContact CG2-O 3.38Å; G179-A192 CarbonylContact C-O 3.58Å; G179-A192 VanDerWaalsContact C-O 3.27Å; G179-A192 WeakPolarHBondContact CA-O 3.28Å; G179-A192 PolarHBondContact O-N 2.84Å; G179-A192 VanDerWaalsContact O-N 3.1Å | ||
| 180 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 152.8 | 174 | 61.4 | 166.4 | 0 | 0 | 0 | 110.9 | G68 S69 I77 V79 V126 I177 I189 Y190 | G68-I180 WeakPolarHBondContact CA-O 3.4Å; S69-I180 PolarHBondContact N-O 3.35Å; S69-I180 PolarHBondContact O-N 2.9Å; I77-I180 HydrophobicContact CB-CD1 4.1Å; I77-I180 HydrophobicContact CB-CG1 4.03Å; I77-I180 HydrophobicContact CD1-CG1 3.91Å; I77-I180 HydrophobicContact CG2-CD1 3.71Å; I77-I180 HydrophobicContact CG2-CG1 3.65Å; V79-I180 HydrophobicContact CG2-CD1 4.14Å; V126-I180 HydrophobicContact CB-CD1 4.16Å; V126-I180 HydrophobicContact CB-CG2 4.34Å; V126-I180 HydrophobicContact CG1-CG2 3.95Å; V126-I180 HydrophobicContact CG2-CD1 4.04Å; V126-I180 HydrophobicContact CG2-CG2 4.49Å; I177-I180 HydrophobicContact CG2-CG2 3.72Å; I180-I189 HydrophobicContact CB-CG2 4.32Å; I180-I189 HydrophobicContact CD1-CG2 3.94Å; I180-Y190 VanDerWaalsContact CA-O 3.28Å; I180-Y190 WeakPolarHBondContact CA-O 3.4Å |
| 181 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 150.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | V41 I66 L67 I189 Y190 A192 F194 | V41-A181 HydrophobicContact CG2-CB 4.22Å; I66-A181 HydrophobicContact CG2-CB 3.84Å; L67-A181 CarbonylContact O-C 3.45Å; L67-A181 WeakPolarHBondContact O-CA 3.48Å; A181-I189 WeakPolarHBondContact O-CA 3.14Å; A181-Y190 HydrophobicContact CB-CD2 4.27Å; A181-Y190 HydrophobicContact CB-CE1 3.98Å; A181-Y190 HydrophobicContact CB-CE2 3.65Å; A181-Y190 VanDerWaalsContact CB-CZ 3.48Å; A181-Y190 PolarHBondContact N-O 3.49Å; A181-Y190 PolarHBondContact O-N 3.39Å; A181-A192 HydrophobicContact CB-CB 3.6Å; A181-F194 HydrophobicContact CB-CE1 4.35Å; A181-F194 HydrophobicContact CB-CZ 3.99Å |
| 182 | V | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 123.7 | 169.6 | 58.9 | 0 | 0 | 0 | 0 | 110 | I66 L67 V79 T88 L90 I184 E188 I189 | I66-V182 WeakPolarHBondContact CA-O 3.08Å; L67-V182 HydrophobicContact CB-CG1 3.78Å; L67-V182 HydrophobicContact CG-CG1 4.46Å; L67-V182 PolarHBondContact N-O 2.83Å; L67-V182 VanDerWaalsContact N-O 3.11Å; L67-V182 PolarHBondContact O-N 2.51Å; V79-V182 HydrophobicContact CG1-CB 4.49Å; V79-V182 HydrophobicContact CG1-CG1 4.31Å; V79-V182 HydrophobicContact CG1-CG2 4.3Å; V79-V182 HydrophobicContact CG2-CG1 4.32Å; T88-V182 HydrophobicContact CG2-CG1 3.94Å; T88-V182 HydrophobicContact CG2-CG2 3.99Å; L90-V182 HydrophobicContact CD1-CG1 3.98Å; V182-I184 HydrophobicContact CG1-CD1 4.29Å; V182-I184 PolarHBondContact O-N 3.02Å; V182-E188 VanDerWaalsContact CA-O 3.31Å; V182-E188 WeakPolarHBondContact CA-O 3.29Å; V182-I189 HydrophobicContact CB-CG1 4.01Å; V182-I189 HydrophobicContact CG2-CG1 3.85Å |
| 183 | N | 98.7 | Very high | 98.4 | Very high | 37 Ų | 37 | 32.5 Ų | 32.5 | 20% | 0.198 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 117.7 | 171.3 | -177 | -43.8 | 0 | 0 | 0 | 109.2 | K185 T186 A187 E188 | N183-K185 VanDerWaalsContact C-N 3.28Å; N183-K185 PolarHBondContact O-N 2.95Å; N183-K185 PolarHBondContact OD1-N 2.97Å; N183-T186 VanDerWaalsContact CB-OG1 3.31Å; N183-T186 WeakPolarHBondContact CB-OG1 3.47Å; N183-T186 VanDerWaalsContact CG-OG1 3.27Å; N183-T186 PolarHBondContact OD1-N 3.04Å; N183-T186 VanDerWaalsContact OD1-N 3.14Å; N183-A187 VanDerWaalsContact O-CA 3.26Å; N183-A187 WeakPolarHBondContact O-CA 3.15Å; N183-A187 PolarHBondContact O-N 3.31Å; N183-E188 PolarHBondContact N-O 3.44Å |
| 184 | I | 98.1 | Very high | 98.4 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -34.3 | -173 | -56.5 | -53.7 | 0 | 0 | 0 | 112 | T57 T58 P59 S65 L67 R81 T88 V182 | T57-I184 HydrophobicContact CG2-CD1 4.07Å; T57-I184 HydrophobicContact CG2-CG1 3.89Å; T57-I184 HydrophobicContact CG2-CG2 4.23Å; T58-I184 VanDerWaalsContact C-CG2 3.45Å; P59-I184 HydrophobicContact CG-CG2 4.2Å; S65-I184 PolarHBondContact O-N 2.85Å; L67-I184 HydrophobicContact CB-CD1 4.47Å; L67-I184 HydrophobicContact CD1-CD1 3.81Å; L67-I184 HydrophobicContact CG-CD1 3.66Å; L67-I184 HydrophobicContact CG-CG1 4.39Å; R81-I184 PolarHBondContact NH1-O 3.4Å; R81-I184 PolarHBondContact NH2-O 3.33Å; T88-I184 HydrophobicContact CG2-CD1 3.64Å; V182-I184 HydrophobicContact CG1-CD1 4.29Å; V182-I184 PolarHBondContact O-N 3.02Å |
| 185 | K | 96.4 | Very high | 98.3 | Very high | 140 Ų | 140 | 36.9 Ų | 36.9 | 61% | 0.609 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -45.7 | -177.1 | -63.4 | -178.2 | 179.3 | 176.5 | 0 | 111.6 | N183 | N183-K185 VanDerWaalsContact C-N 3.28Å; N183-K185 PolarHBondContact O-N 2.95Å; N183-K185 PolarHBondContact OD1-N 2.97Å |
| 186 | T | 97.7 | Very high | 98.1 | Very high | 86 Ų | 86 | 40.3 Ų | 40.3 | 53% | 0.528 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -12.8 | -175.1 | 65.1 | 0 | 0 | 0 | 0 | 113.9 | N183 E188 | N183-T186 VanDerWaalsContact CB-OG1 3.31Å; N183-T186 WeakPolarHBondContact CB-OG1 3.47Å; N183-T186 VanDerWaalsContact CG-OG1 3.27Å; N183-T186 PolarHBondContact OD1-N 3.04Å; N183-T186 VanDerWaalsContact OD1-N 3.14Å; T186-E188 PolarHBondContact O-N 3.48Å; T186-E188 WeakPolarHBondContact OG1-CB 3.37Å; T186-E188 PolarHBondContact OG1-N 3.25Å |
| 187 | A | 98.1 | Very high | 98 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 31% | 0.314 | 20% | 0.2 | S | C | . | . | trans | 64 | 10.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R81 N183 I189 | R81-A187 VanDerWaalsContact CZ-CB 3.49Å; R81-A187 VanDerWaalsContact NE-CB 3.3Å; N183-A187 VanDerWaalsContact O-CA 3.26Å; N183-A187 WeakPolarHBondContact O-CA 3.15Å; N183-A187 PolarHBondContact O-N 3.31Å; A187-I189 PolarHBondContact O-N 2.92Å | ||
| 188 | E | 98.5 | Very high | 97.9 | Very high | 102 Ų | 102 | 40.5 Ų | 40.5 | 48% | 0.477 | 21% | 0.207 | S | C | . | . | trans | -71.8 | 129.9 | -179.5 | -172.3 | 178.5 | -166.6 | 0 | 0 | 110.8 | V182 N183 T186 Y190 | V182-E188 VanDerWaalsContact CA-O 3.31Å; V182-E188 WeakPolarHBondContact CA-O 3.29Å; N183-E188 PolarHBondContact N-O 3.44Å; T186-E188 PolarHBondContact O-N 3.48Å; T186-E188 WeakPolarHBondContact OG1-CB 3.37Å; T186-E188 PolarHBondContact OG1-N 3.25Å; E188-Y190 HydrophobicContact CG-CD1 4.13Å | ||
| 189 | I | 98.8 | Very high | 97.9 | Very high | 23 Ų | 23 | 39.2 Ų | 39.2 | 12% | 0.118 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.6 | 171.4 | -62 | 175.2 | 0 | 0 | 0 | 108.2 | V79 H124 I180 A181 V182 A187 | V79-I189 HydrophobicContact CB-CD1 4.07Å; V79-I189 HydrophobicContact CG1-CD1 4.16Å; V79-I189 HydrophobicContact CG2-CD1 4.25Å; H124-I189 HydrophobicContact CB-CD1 3.69Å; I180-I189 HydrophobicContact CB-CG2 4.32Å; I180-I189 HydrophobicContact CD1-CG2 3.94Å; A181-I189 WeakPolarHBondContact O-CA 3.14Å; V182-I189 HydrophobicContact CB-CG1 4.01Å; V182-I189 HydrophobicContact CG2-CG1 3.85Å; A187-I189 PolarHBondContact O-N 2.92Å |
| 190 | Y | 98.8 | Very high | 97.9 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 5% | 0.051 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 157.2 | -176.9 | 57.3 | -85.9 | 0 | 0 | 0 | 112.3 | Q39 V41 I180 A181 E188 A192 | Q39-Y190 HydrophobicContact CB-CD2 4.04Å; Q39-Y190 HydrophobicContact CB-CE2 3.98Å; Q39-Y190 HydrophobicContact CG-CD2 3.94Å; Q39-Y190 HydrophobicContact CG-CE2 4.25Å; V41-Y190 HydrophobicContact CG2-CE2 3.92Å; I180-Y190 VanDerWaalsContact CA-O 3.28Å; I180-Y190 WeakPolarHBondContact CA-O 3.4Å; A181-Y190 HydrophobicContact CB-CD2 4.27Å; A181-Y190 HydrophobicContact CB-CE1 3.98Å; A181-Y190 HydrophobicContact CB-CE2 3.65Å; A181-Y190 VanDerWaalsContact CB-CZ 3.48Å; A181-Y190 PolarHBondContact N-O 3.49Å; A181-Y190 PolarHBondContact O-N 3.39Å; E188-Y190 HydrophobicContact CG-CD1 4.13Å; Y190-A192 HydrophobicContact CD2-CB 4.31Å; Y190-A192 HydrophobicContact CE2-CB 4.14Å; Y190-A192 PolarHBondContact O-N 3.35Å |
| 191 | R | 98.8 | Very high | 97.8 | Very high | 38 Ų | 38 | 43.4 Ų | 43.4 | 14% | 0.143 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 127.5 | 174.5 | -67.8 | -179.5 | 68.4 | -171.4 | 11.5 | 110 | L33 R34 Q36 V38 Q39 I176 I177 | L33-R191 HydrophobicContact CD1-CG 4.28Å; L33-R191 WeakPolarHBondContact O-CD 3.05Å; L33-R191 WeakPolarHBondContact O-CG 3.31Å; R34-R191 PolarHBondContact O-NH1 3Å; Q36-R191 HydrophobicContact CB-CB 4.44Å; Q36-R191 HydrophobicContact CB-CG 4.31Å; Q36-R191 WeakPolarHBondContact O-CD 3.32Å; Q36-R191 PolarHBondContact O-NH1 2.92Å; V38-R191 HydrophobicContact CG2-CB 4.35Å; Q39-R191 PolarHBondContact N-O 3.03Å; I176-R191 PolarHBondContact O-NH2 3.2Å; I177-R191 HydrophobicContact CD1-CG 4.19Å; I177-R191 HydrophobicContact CG1-CG 4.1Å; I177-R191 HydrophobicContact CG2-CG 4.19Å |
| 192 | A | 98.7 | Very high | 97.8 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 154.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q39 V41 G179 A181 Y190 F194 | Q39-A192 CarbonylContact O-C 3.59Å; Q39-A192 VanDerWaalsContact O-CA 3.25Å; Q39-A192 WeakPolarHBondContact O-CA 3.42Å; V41-A192 HydrophobicContact CG2-CB 3.7Å; G179-A192 CarbonylContact C-O 3.58Å; G179-A192 VanDerWaalsContact C-O 3.27Å; G179-A192 WeakPolarHBondContact CA-O 3.28Å; G179-A192 PolarHBondContact O-N 2.84Å; G179-A192 VanDerWaalsContact O-N 3.1Å; A181-A192 HydrophobicContact CB-CB 3.6Å; Y190-A192 HydrophobicContact CD2-CB 4.31Å; Y190-A192 HydrophobicContact CE2-CB 4.14Å; Y190-A192 PolarHBondContact O-N 3.35Å; A192-F194 HydrophobicContact CB-CE1 4.37Å; A192-F194 HydrophobicContact CB-CE2 3.93Å; A192-F194 HydrophobicContact CB-CZ 3.66Å |
| 193 | S | 98.3 | Very high | 97.8 | Very high | 22 Ų | 22 | 47.1 Ų | 47.1 | 15% | 0.154 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 158.1 | 162.1 | 62.9 | 0 | 0 | 0 | 0 | 110.2 | Q39 Q40 V41 D70 | Q39-S193 PolarHBondContact O-N 3.35Å; Q40-S193 PolarHBondContact NE2-OG 3.25Å; Q40-S193 PolarHBondContact OE1-OG 3.17Å; V41-S193 PolarHBondContact N-O 2.84Å; D70-S193 WeakPolarHBondContact OD2-CA 3.16Å; D70-S193 VanDerWaalsContact OD2-CB 3.32Å; D70-S193 WeakPolarHBondContact OD2-CB 3.49Å |
| 194 | F | 98.3 | Very high | 97.8 | Very high | 12 Ų | 12 | 45.4 Ų | 45.4 | 5% | 0.053 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 142.3 | -169.1 | -49.7 | -96 | 0 | 0 | 0 | 109.4 | V41 L46 Y48 G68 S69 D70 A181 A192 H197 | V41-F194 HydrophobicContact CB-CD1 3.74Å; V41-F194 HydrophobicContact CB-CE1 3.67Å; V41-F194 HydrophobicContact CG1-CD1 4.05Å; V41-F194 HydrophobicContact CG1-CE1 3.84Å; V41-F194 HydrophobicContact CG2-CE1 4.06Å; L46-F194 HydrophobicContact CD1-CD1 3.87Å; L46-F194 HydrophobicContact CD1-CE1 3.67Å; L46-F194 HydrophobicContact CD2-CD1 3.68Å; L46-F194 HydrophobicContact CD2-CE1 4.35Å; L46-F194 HydrophobicContact CG-CD1 4.44Å; Y48-F194 HydrophobicContact CD2-CB 3.95Å; Y48-F194 HydrophobicContact CD2-CD1 4.11Å; Y48-F194 AromaticContact CD2-CD2 3.95Å; Y48-F194 HydrophobicContact CD2-CD2 3.95Å; Y48-F194 AromaticContact CD2-CG 3.72Å; Y48-F194 HydrophobicContact CD2-CG 3.72Å; Y48-F194 HydrophobicContact CE2-CB 3.99Å; Y48-F194 AromaticContact CE2-CD2 3.64Å; Y48-F194 HydrophobicContact CE2-CD2 3.64Å; Y48-F194 HydrophobicContact CE2-CE2 4.27Å; Y48-F194 AromaticContact CE2-CG 3.83Å; Y48-F194 HydrophobicContact CE2-CG 3.83Å; G68-F194 VanDerWaalsContact CA-CZ 3.44Å; S69-F194 WeakPolarHBondContact O-CE2 3.36Å; D70-F194 HydrophobicContact CB-CD2 3.85Å; D70-F194 HydrophobicContact CB-CE2 4.25Å; A181-F194 HydrophobicContact CB-CE1 4.35Å; A181-F194 HydrophobicContact CB-CZ 3.99Å; A192-F194 HydrophobicContact CB-CE1 4.37Å; A192-F194 HydrophobicContact CB-CE2 3.93Å; A192-F194 HydrophobicContact CB-CZ 3.66Å; F194-H197 PolarHBondContact O-NE2 3.26Å |
| 195 | Q | 95.4 | Very high | 97.8 | Very high | 173 Ų | 173 | 45.9 Ų | 45.9 | 81% | 0.808 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -106.6 | -22.3 | 172.9 | -67.6 | -174.7 | -7.2 | 0 | 0 | 111.8 | ||
| 196 | D | 94.6 | Very high | 97.9 | Very high | 72 Ų | 72 | 39.2 Ų | 39.2 | 39% | 0.385 | 21% | 0.206 | S | C | . | . | trans | -113.9 | 104.5 | 179 | -167.6 | -24.3 | 0 | 0 | 0 | 109.5 | P43 G198 | P43-D196 HydrophobicContact CB-CB 3.91Å; P43-D196 WeakPolarHBondContact CB-OD2 3.19Å; P43-D196 HydrophobicContact CG-CB 4.5Å; D196-G198 PolarHBondContact OD1-N 2.74Å; D196-G198 VanDerWaalsContact OD1-N 3.1Å | ||
| 197 | H | 97.2 | Very high | 98 | Very high | 25 Ų | 25 | 35.6 Ų | 35.6 | 12% | 0.116 | 18% | 0.183 | C | C | . | . | trans | -102 | 1.8 | 179.9 | -51.5 | 140.6 | 0 | 0 | 0 | 112.8 | Y48 F194 E201 R204 | Y48-H197 HydrophobicContact CD1-CB 3.61Å; Y48-H197 AromaticContact CD1-CD2 3.95Å; Y48-H197 AromaticContact CD2-CD2 3.73Å; Y48-H197 HydrophobicContact CE1-CB 3.76Å; Y48-H197 AromaticContact CE1-CD2 3.75Å; Y48-H197 AromaticContact CE1-CG 3.8Å; Y48-H197 AromaticContact CE2-CD2 3.53Å; Y48-H197 HydrophobicContact CG-CB 4.17Å; Y48-H197 AromaticContact CG-CD2 3.94Å; Y48-H197 AromaticContact CZ-CD2 3.54Å; F194-H197 PolarHBondContact O-NE2 3.26Å; H197-E201 HydrophobicContact CB-CG 4.04Å; H197-E201 IonicContact CG-OE1 3.21Å; H197-E201 IonicContact ND1-OE1 2.81Å; H197-E201 PolarHBondContact ND1-OE1 3.43Å; H197-E201 VanDerWaalsContact ND1-OE1 3.16Å; H197-R204 PolarHBondContact O-NH1 2.97Å | ||
| 198 | G | 96.3 | Very high | 98 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 16% | 0.155 | 17% | 0.172 | C | C | . | . | trans | -73.3 | 177.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D196 | D196-G198 PolarHBondContact OD1-N 2.74Å; D196-G198 VanDerWaalsContact OD1-N 3.1Å | ||
| 199 | P | 97.9 | Very high | 97.9 | Very high | 19 Ų | 19 | 31.5 Ų | 31.5 | 12% | 0.123 | 16% | 0.161 | C | C | . | . | S | Bend | cis | -82.5 | 173.5 | -2.9 | 35 | -37.6 | 0 | 0 | 0 | 112.7 | E201 R204 L225 Y294 W302 | P199-E201 PolarHBondContact O-N 3.18Å; P199-R204 WeakPolarHBondContact O-CD 3.36Å; P199-R204 PolarHBondContact O-NH1 3.35Å; P199-L225 VanDerWaalsContact CD-CD2 3.43Å; P199-L225 HydrophobicContact CG-CD2 3.47Å; P199-L225 VanDerWaalsContact CG-CD2 3.47Å; P199-Y294 HydrophobicContact CB-CD1 3.93Å; P199-Y294 HydrophobicContact CB-CE1 3.68Å; P199-Y294 HydrophobicContact CB-CE2 4.29Å; P199-Y294 HydrophobicContact CB-CG 4.36Å; P199-Y294 HydrophobicContact CG-CD1 3.67Å; P199-Y294 HydrophobicContact CG-CD2 3.87Å; P199-Y294 HydrophobicContact CG-CE1 3.93Å; P199-Y294 HydrophobicContact CG-CE2 4.11Å; P199-Y294 HydrophobicContact CG-CG 3.67Å; P199-W302 VanDerWaalsContact CD-CD1 3.48Å; P199-W302 HydrophobicContact CG-CB 4.12Å; P199-W302 HydrophobicContact CG-CG 4.26Å |
| 200 | E | 98.1 | Very high | 97.9 | Very high | 51 Ų | 51 | 32.1 Ų | 32.1 | 24% | 0.238 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 55.8 | 34.3 | 174.2 | -55.9 | -65.6 | 177.9 | 0 | 0 | 114 | Q202 L203 R204 I227 L292 Y294 K304 | E200-Q202 PolarHBondContact O-N 2.91Å; E200-L203 HydrophobicContact CB-CB 4.22Å; E200-L203 HydrophobicContact CB-CD2 4.26Å; E200-L203 HydrophobicContact CG-CD2 4.45Å; E200-L203 PolarHBondContact O-N 2.95Å; E200-L203 VanDerWaalsContact O-N 3.17Å; E200-R204 WeakPolarHBondContact O-CD 3.07Å; E200-R204 WeakPolarHBondContact O-CG 3.47Å; E200-R204 PolarHBondContact O-N 2.98Å; E200-I227 HydrophobicContact CB-CG1 4.46Å; E200-I227 HydrophobicContact CB-CG2 4.1Å; E200-I227 HydrophobicContact CG-CG1 4.45Å; E200-I227 HydrophobicContact CG-CG2 4.31Å; E200-L292 HydrophobicContact CG-CD1 4.18Å; E200-L292 WeakPolarHBondContact OE1-CD1 3.46Å; E200-Y294 HydrophobicContact CG-CE2 3.74Å; E200-Y294 PolarHBondContact OE1-OH 3.21Å; E200-K304 IonicContact OE1-NZ 3.94Å |
| 201 | E | 98.2 | Very high | 97.8 | Very high | 41 Ų | 41 | 34.1 Ų | 34.1 | 19% | 0.192 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54 | -51 | -172.1 | -175.5 | -176.1 | -177.7 | 0 | 0 | 112.3 | Q50 H197 P199 L203 R204 A205 H267 | Q50-E201 PolarHBondContact NE2-O 3.44Å; H197-E201 HydrophobicContact CB-CG 4.04Å; H197-E201 IonicContact CG-OE1 3.21Å; H197-E201 IonicContact ND1-OE1 2.81Å; H197-E201 PolarHBondContact ND1-OE1 3.43Å; H197-E201 VanDerWaalsContact ND1-OE1 3.16Å; P199-E201 PolarHBondContact O-N 3.18Å; E201-L203 PolarHBondContact O-N 2.76Å; E201-R204 PolarHBondContact O-N 3.48Å; E201-A205 WeakPolarHBondContact O-CB 3.44Å; E201-A205 PolarHBondContact O-N 3.41Å; E201-H267 IonicContact OE1-CE1 3.78Å; E201-H267 IonicContact OE1-ND1 3.57Å |
| 202 | Q | 98.1 | Very high | 97.7 | Very high | 77 Ų | 77 | 33 Ų | 33 | 36% | 0.36 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -70 | -32.1 | -177.9 | -65.6 | 75.3 | 15.7 | 0 | 0 | 112.4 | E200 A206 F274 | E200-Q202 PolarHBondContact O-N 2.91Å; Q202-A206 WeakPolarHBondContact O-CB 3.3Å; Q202-A206 PolarHBondContact O-N 3.21Å; Q202-F274 HydrophobicContact CB-CB 4.38Å; Q202-F274 HydrophobicContact CB-CD2 3.77Å; Q202-F274 HydrophobicContact CB-CE2 4.36Å; Q202-F274 HydrophobicContact CB-CG 4.21Å |
| 203 | L | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.7 | -43.2 | 176.2 | 169.1 | 57.3 | 0 | 0 | 0 | 110.8 | E200 E201 R207 I227 Y230 W232 F274 L285 F286 L292 | E200-L203 HydrophobicContact CB-CB 4.22Å; E200-L203 HydrophobicContact CB-CD2 4.26Å; E200-L203 HydrophobicContact CG-CD2 4.45Å; E200-L203 PolarHBondContact O-N 2.95Å; E200-L203 VanDerWaalsContact O-N 3.17Å; E201-L203 PolarHBondContact O-N 2.76Å; L203-R207 WeakPolarHBondContact O-CB 3.45Å; L203-R207 PolarHBondContact O-N 2.96Å; L203-I227 HydrophobicContact CD2-CG2 4.03Å; L203-I227 HydrophobicContact CG-CG2 4.48Å; L203-Y230 HydrophobicContact CD1-CD2 4Å; L203-Y230 HydrophobicContact CG-CD2 4.13Å; L203-Y230 HydrophobicContact CG-CE2 4.31Å; L203-W232 HydrophobicContact CD1-CH2 3.73Å; L203-W232 HydrophobicContact CD1-CZ3 4.13Å; L203-F274 HydrophobicContact CB-CE1 4.17Å; L203-F274 HydrophobicContact CB-CE2 4.37Å; L203-F274 HydrophobicContact CB-CZ 3.76Å; L203-F274 HydrophobicContact CD1-CE1 3.91Å; L203-F274 HydrophobicContact CD1-CZ 4.02Å; L203-F274 HydrophobicContact CG-CZ 4.43Å; L203-L285 HydrophobicContact CD1-CD1 3.76Å; L203-F286 HydrophobicContact CD1-CE2 4.46Å; L203-F286 HydrophobicContact CD1-CZ 4.17Å; L203-F286 HydrophobicContact CD2-CE1 4.29Å; L203-F286 HydrophobicContact CD2-CZ 3.82Å; L203-F286 HydrophobicContact CG-CZ 4.43Å; L203-L292 HydrophobicContact CD2-CD1 4.09Å |
| 204 | R | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68 | -42.3 | 177.3 | -69.2 | 158.9 | 62.5 | -159.5 | -0.9 | 111.6 | Y48 Q50 E53 H197 P199 E200 E201 R207 A208 I227 | Y48-R204 PolarHBondContact O-NH2 3.41Å; Q50-R204 VanDerWaalsContact OE1-C 3.27Å; Q50-R204 VanDerWaalsContact OE1-CB 3.25Å; E53-R204 WeakPolarHBondContact OE1-CB 3.42Å; E53-R204 WeakPolarHBondContact OE1-CG 3.49Å; E53-R204 IonicContact OE1-CZ 2.74Å; E53-R204 IonicContact OE1-NE 2.94Å; E53-R204 PolarHBondContact OE1-NE 3.3Å; E53-R204 IonicContact OE1-NH2 3.38Å; E53-R204 IonicContact OE2-CZ 3.65Å; E53-R204 IonicContact OE2-NE 3.28Å; E53-R204 PolarHBondContact OE2-NE 3Å; E53-R204 IonicContact OE2-NH2 3.85Å; E53-R204 PolarHBondContact OE2-NH2 3.04Å; H197-R204 PolarHBondContact O-NH1 2.97Å; P199-R204 WeakPolarHBondContact O-CD 3.36Å; P199-R204 PolarHBondContact O-NH1 3.35Å; E200-R204 WeakPolarHBondContact O-CD 3.07Å; E200-R204 WeakPolarHBondContact O-CG 3.47Å; E200-R204 PolarHBondContact O-N 2.98Å; E201-R204 PolarHBondContact O-N 3.48Å; R204-R207 WeakPolarHBondContact O-CB 3.48Å; R204-R207 PolarHBondContact O-N 3.49Å; R204-A208 PolarHBondContact O-N 3.16Å; R204-A208 VanDerWaalsContact O-N 3.14Å; R204-I227 HydrophobicContact CG-CD1 4.18Å; R204-I227 HydrophobicContact CG-CG2 4.18Å |
| 205 | A | 98.6 | Very high | 97.7 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 8% | 0.083 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64 | -44.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E201 R207 A208 L209 T271 | E201-A205 WeakPolarHBondContact O-CB 3.44Å; E201-A205 PolarHBondContact O-N 3.41Å; A205-R207 VanDerWaalsContact C-N 3.31Å; A205-R207 PolarHBondContact O-N 2.88Å; A205-A208 PolarHBondContact O-N 3.02Å; A205-A208 VanDerWaalsContact O-N 3.16Å; A205-L209 WeakPolarHBondContact O-CB 3.35Å; A205-L209 PolarHBondContact O-N 3.41Å; A205-T271 HydrophobicContact CB-CG2 4.05Å |
| 206 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q202 A208 L209 A210 W232 T271 F274 L275 | Q202-A206 WeakPolarHBondContact O-CB 3.3Å; Q202-A206 PolarHBondContact O-N 3.21Å; A206-A208 PolarHBondContact O-N 3.4Å; A206-L209 PolarHBondContact O-N 3.39Å; A206-A210 WeakPolarHBondContact O-CB 3.48Å; A206-A210 PolarHBondContact O-N 3.32Å; A206-W232 HydrophobicContact CB-CH2 3.91Å; A206-W232 HydrophobicContact CB-CZ2 4.27Å; A206-W232 HydrophobicContact CB-CZ3 4.49Å; A206-T271 VanDerWaalsContact CA-CG2 3.49Å; A206-T271 HydrophobicContact CB-CG2 4.04Å; A206-F274 HydrophobicContact CB-CD1 3.66Å; A206-F274 HydrophobicContact CB-CE1 4.32Å; A206-F274 HydrophobicContact CB-CG 4.38Å; A206-L275 HydrophobicContact CB-CD2 3.8Å; A206-L275 HydrophobicContact CB-CG 3.85Å |
| 207 | R | 98.5 | Very high | 98.1 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 4% | 0.038 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.9 | -45.1 | 174.7 | 179.5 | -146.3 | 67.3 | 84.8 | -7.1 | 111.5 | R52 L203 R204 A205 G212 P213 Y230 W232 | R52-R207 PolarHBondContact O-NH2 3.14Å; L203-R207 WeakPolarHBondContact O-CB 3.45Å; L203-R207 PolarHBondContact O-N 2.96Å; R204-R207 WeakPolarHBondContact O-CB 3.48Å; R204-R207 PolarHBondContact O-N 3.49Å; A205-R207 VanDerWaalsContact C-N 3.31Å; A205-R207 PolarHBondContact O-N 2.88Å; R207-G212 WeakPolarHBondContact O-CA 3.27Å; R207-G212 PolarHBondContact O-N 2.83Å; R207-P213 PolarHBondContact NH1-O 3.33Å; R207-Y230 HydrophobicContact CB-CD2 3.97Å; R207-Y230 HydrophobicContact CB-CE2 4.33Å; R207-Y230 HydrophobicContact CB-CG 4.26Å; R207-Y230 VanDerWaalsContact CD-CE1 3.43Å; R207-Y230 HydrophobicContact CG-CD1 3.98Å; R207-Y230 HydrophobicContact CG-CD2 3.99Å; R207-Y230 HydrophobicContact CG-CE1 4.36Å; R207-Y230 HydrophobicContact CG-CE2 4.36Å; R207-Y230 HydrophobicContact CG-CG 3.82Å; R207-W232 HydrophobicContact CB-CE3 4.33Å; R207-W232 HydrophobicContact CB-CZ3 3.92Å |
| 208 | A | 97.9 | Very high | 98.1 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 8% | 0.083 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -48.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | R52 R204 A205 A206 A210 G211 | R52-A208 PolarHBondContact NH1-O 3.04Å; R204-A208 PolarHBondContact O-N 3.16Å; R204-A208 VanDerWaalsContact O-N 3.14Å; A205-A208 PolarHBondContact O-N 3.02Å; A205-A208 VanDerWaalsContact O-N 3.16Å; A206-A208 PolarHBondContact O-N 3.4Å; A208-A210 VanDerWaalsContact C-N 3.27Å; A208-A210 PolarHBondContact O-N 2.91Å; A208-G211 PolarHBondContact O-N 3.38Å |
| 209 | L | 98.1 | Very high | 98.2 | Very high | 45 Ų | 45 | 29.8 Ų | 29.8 | 24% | 0.236 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -33.4 | -179.7 | -173.6 | 59.7 | 0 | 0 | 0 | 112.8 | A205 A206 G211 F235 T271 L272 L275 | A205-L209 WeakPolarHBondContact O-CB 3.35Å; A205-L209 PolarHBondContact O-N 3.41Å; A206-L209 PolarHBondContact O-N 3.39Å; L209-G211 PolarHBondContact O-N 2.9Å; L209-F235 HydrophobicContact CD1-CE2 4.43Å; L209-F235 HydrophobicContact CG-CE2 3.95Å; L209-F235 HydrophobicContact CG-CZ 4.38Å; L209-T271 HydrophobicContact CB-CG2 4.07Å; L209-T271 HydrophobicContact CD2-CG2 3.67Å; L209-L272 HydrophobicContact CD2-CD2 3.99Å; L209-L272 HydrophobicContact CD2-CG 4.31Å; L209-L275 HydrophobicContact CB-CD1 4.32Å; L209-L275 HydrophobicContact CD2-CD1 3.88Å; L209-L275 HydrophobicContact CG-CD1 4.16Å |
| 210 | A | 97.9 | Very high | 98.2 | Very high | 35 Ų | 35 | 29.7 Ų | 29.7 | 29% | 0.289 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 2.6 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | A206 A208 W232 L275 | A206-A210 WeakPolarHBondContact O-CB 3.48Å; A206-A210 PolarHBondContact O-N 3.32Å; A208-A210 VanDerWaalsContact C-N 3.27Å; A208-A210 PolarHBondContact O-N 2.91Å; A210-W232 HydrophobicContact CB-CB 3.8Å; A210-W232 HydrophobicContact CB-CD2 4.2Å; A210-W232 HydrophobicContact CB-CE3 4.5Å; A210-W232 HydrophobicContact CB-CG 3.94Å; A210-L275 HydrophobicContact CB-CD2 4.04Å |
| 211 | G | 97.3 | Very high | 98 | Very high | 56 Ų | 56 | 35.5 Ų | 35.5 | 58% | 0.577 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93 | 18.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115 | A208 L209 | A208-G211 PolarHBondContact O-N 3.38Å; L209-G211 PolarHBondContact O-N 2.9Å |
| 212 | G | 97.4 | Very high | 98 | Very high | 14 Ų | 14 | 36 Ų | 36 | 14% | 0.144 | 22% | 0.218 | C | C | . | . | trans | -61.8 | 146.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R52 R207 | R52-G212 VanDerWaalsContact CD-O 3.25Å; R52-G212 WeakPolarHBondContact CD-O 3.31Å; R52-G212 PolarHBondContact NH1-O 2.85Å; R52-G212 VanDerWaalsContact NH1-O 3.16Å; R207-G212 WeakPolarHBondContact O-CA 3.27Å; R207-G212 PolarHBondContact O-N 2.83Å | ||
| 213 | P | 98 | Very high | 98 | Very high | 88 Ų | 88 | 34.9 Ų | 34.9 | 57% | 0.571 | 21% | 0.212 | S | C | * | . | trans | -75.9 | 178.5 | 179 | 34.4 | -37.6 | 0 | 0 | 0 | 111.5 | R207 | R207-P213 PolarHBondContact NH1-O 3.33Š| ||
| 214 | M | 98.4 | Very high | 97.9 | Very high | 19 Ų | 19 | 36.7 Ų | 36.7 | 9% | 0.094 | 22% | 0.22 | C | C | . | . | trans | -62.7 | 138.5 | 168.9 | -169 | 170 | -68.7 | 0 | 0 | 111.8 | R52 L54 T91 E101 L104 | R52-M214 WeakPolarHBondContact O-CA 3.33Å; L54-M214 HydrophobicContact CB-CG 4.41Å; L54-M214 HydrophobicContact CB-SD 4.4Å; T91-M214 VanDerWaalsContact OG1-CE 3.27Å; T91-M214 WeakPolarHBondContact OG1-CE 3.21Å; T91-M214 PolarHBondContact OG1-SD 3.27Å; E101-M214 HydrophobicContact CB-CE 3.84Å; E101-M214 HydrophobicContact CB-SD 3.83Å; E101-M214 HydrophobicContact CG-CB 3.87Å; E101-M214 HydrophobicContact CG-CE 3.43Å; E101-M214 VanDerWaalsContact CG-CE 3.43Å; E101-M214 HydrophobicContact CG-CG 4.45Å; E101-M214 HydrophobicContact CG-SD 3.74Å; E101-M214 WeakPolarHBondContact OE2-CE 3.37Å; L104-M214 HydrophobicContact CD2-CB 4.26Å; L104-M214 HydrophobicContact CD2-CG 3.87Å; L104-M214 HydrophobicContact CD2-SD 4.22Å | ||
| 215 | I | 98.4 | Very high | 97.9 | Very high | 37 Ų | 37 | 36.6 Ų | 36.6 | 19% | 0.19 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 144.7 | 179.4 | 56.9 | 169.8 | 0 | 0 | 0 | 111.6 | R52 E53 L54 I217 Y230 | R52-I215 PolarHBondContact O-N 2.95Å; E53-I215 HydrophobicContact CG-CG1 4.29Å; L54-I215 PolarHBondContact N-O 3.27Å; I215-I217 HydrophobicContact CD1-CG2 4Å; I215-I217 HydrophobicContact CG1-CG2 4Å; I215-Y230 HydrophobicContact CD1-CE1 3.44Å; I215-Y230 VanDerWaalsContact CD1-CE1 3.44Å; I215-Y230 VanDerWaalsContact CD1-OH 3.23Å; I215-Y230 WeakPolarHBondContact CD1-OH 3.46Å |
| 216 | S | 98.4 | Very high | 97.9 | Very high | 61 Ų | 61 | 42.1 Ų | 42.1 | 43% | 0.427 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 126.4 | 166.5 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | L54 | L54-S216 VanDerWaalsContact O-CA 3.31Å; L54-S216 WeakPolarHBondContact O-CA 3.2Å |
| 217 | I | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | trans | -104.2 | -15.2 | -172.8 | 65.8 | 179.2 | 0 | 0 | 0 | 113.8 | L47 E53 L54 A55 I215 L225 R226 | L47-I217 HydrophobicContact CD1-CD1 4.18Å; E53-I217 HydrophobicContact CB-CD1 4.31Å; E53-I217 HydrophobicContact CB-CG2 4.07Å; E53-I217 HydrophobicContact CG-CG2 3.98Å; L54-I217 PolarHBondContact O-N 2.9Å; A55-I217 HydrophobicContact CB-CG1 4.28Å; I215-I217 HydrophobicContact CD1-CG2 4Å; I215-I217 HydrophobicContact CG1-CG2 4Å; I217-L225 HydrophobicContact CB-CD1 3.91Å; I217-L225 HydrophobicContact CD1-CD1 3.89Å; I217-L225 HydrophobicContact CG1-CD1 3.83Å; I217-L225 WeakPolarHBondContact O-CD1 3.48Å; I217-R226 PolarHBondContact O-N 2.93Å | ||
| 218 | Y | 98.6 | Very high | 97.8 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134.7 | -169.1 | -172.9 | -107.1 | 0 | 0 | 0 | 112.8 | L47 D61 I64 A220 E223 Q224 L225 W302 | L47-Y218 HydrophobicContact CD2-CD1 4.03Å; L47-Y218 HydrophobicContact CD2-CD2 3.87Å; L47-Y218 HydrophobicContact CD2-CG 3.56Å; D61-Y218 PolarHBondContact OD1-OH 2.82Å; D61-Y218 WeakPolarHBondContact OD2-CE1 3.36Å; D61-Y218 VanDerWaalsContact OD2-CZ 3.23Å; D61-Y218 PolarHBondContact OD2-OH 3.47Å; I64-Y218 HydrophobicContact CG1-CE1 4.11Å; I64-Y218 HydrophobicContact CG1-CE2 4.09Å; I64-Y218 WeakPolarHBondContact CG1-OH 3.27Å; Y218-A220 HydrophobicContact CD1-CB 4.27Å; Y218-A220 HydrophobicContact CE1-CB 3.91Å; Y218-E223 VanDerWaalsContact OH-CA 3.27Å; Y218-E223 WeakPolarHBondContact OH-CA 3.28Å; Y218-Q224 VanDerWaalsContact CD2-C 3.46Å; Y218-Q224 VanDerWaalsContact CD2-O 3.25Å; Y218-Q224 WeakPolarHBondContact CD2-O 3.46Å; Y218-L225 HydrophobicContact CD2-CB 4.28Å; Y218-W302 HydrophobicContact CD2-CH2 4.14Å; Y218-W302 AromaticContact CE2-CH2 3.78Å; Y218-W302 HydrophobicContact CE2-CH2 3.78Å; Y218-W302 HydrophobicContact CE2-CZ3 4.5Å |
| 219 | D | 97.8 | Very high | 97.7 | Very high | 40 Ų | 40 | 44.4 Ų | 44.4 | 21% | 0.214 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 98.9 | 173.5 | 177.6 | 6.8 | 0 | 0 | 0 | 109.8 | K221 T222 E223 Q224 | D219-K221 PolarHBondContact O-N 3.38Å; D219-K221 WeakPolarHBondContact OD1-CB 3.47Å; D219-K221 PolarHBondContact OD1-N 2.98Å; D219-T222 PolarHBondContact O-N 3.04Å; D219-T222 WeakPolarHBondContact OD2-CG2 3.36Å; D219-T222 PolarHBondContact OD2-OG1 3.02Å; D219-E223 WeakPolarHBondContact O-CA 3.1Å; D219-E223 PolarHBondContact O-N 3.37Å; D219-Q224 PolarHBondContact N-O 3.27Å; D219-Q224 PolarHBondContact O-N 3.42Å |
| 220 | A | 97.1 | Very high | 97.7 | Very high | 16 Ų | 16 | 43.3 Ų | 43.3 | 13% | 0.132 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F112 Y218 | F112-A220 HydrophobicContact CE1-CB 4.14Å; F112-A220 HydrophobicContact CZ-CB 3.93Å; Y218-A220 HydrophobicContact CD1-CB 4.27Å; Y218-A220 HydrophobicContact CE1-CB 3.91Å |
| 221 | K | 95.3 | Very high | 97.7 | Very high | 173 Ų | 173 | 46.2 Ų | 46.2 | 75% | 0.752 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -38 | 178 | -65 | -178.1 | -179.7 | 178.7 | 0 | 111.5 | D219 | D219-K221 PolarHBondContact O-N 3.38Å; D219-K221 WeakPolarHBondContact OD1-CB 3.47Å; D219-K221 PolarHBondContact OD1-N 2.98Å |
| 222 | T | 96.6 | Very high | 97.7 | Very high | 53 Ų | 53 | 44.5 Ų | 44.5 | 33% | 0.325 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -5.5 | 178.7 | 61.2 | 0 | 0 | 0 | 0 | 112.8 | D219 Q224 K295 | D219-T222 PolarHBondContact O-N 3.04Å; D219-T222 WeakPolarHBondContact OD2-CG2 3.36Å; D219-T222 PolarHBondContact OD2-OG1 3.02Å; T222-Q224 VanDerWaalsContact C-N 3.33Å; T222-Q224 WeakPolarHBondContact OG1-CG 3.41Å; T222-K295 WeakPolarHBondContact O-CE 3.38Å; T222-K295 PolarHBondContact O-NZ 2.94Å |
| 223 | E | 98.1 | Very high | 97.6 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 24% | 0.243 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 46.7 | -172.1 | -58.8 | -175.8 | -176.7 | 0 | 0 | 111.8 | G62 S63 Y218 D219 K295 | G62-E223 PolarHBondContact N-OE1 2.91Å; S63-E223 WeakPolarHBondContact CB-OE2 3.2Å; S63-E223 PolarHBondContact OG-OE2 3.37Å; Y218-E223 VanDerWaalsContact OH-CA 3.27Å; Y218-E223 WeakPolarHBondContact OH-CA 3.28Å; D219-E223 WeakPolarHBondContact O-CA 3.1Å; D219-E223 PolarHBondContact O-N 3.37Å; E223-K295 WeakPolarHBondContact O-CG 3.47Å |
| 224 | Q | 98.3 | Very high | 97.6 | Very high | 40 Ų | 40 | 49.2 Ų | 49.2 | 19% | 0.187 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130.2 | -175.1 | -67.6 | 178.7 | 19.6 | 0 | 0 | 112.1 | Y218 D219 T222 R226 Y294 K295 I305 | Y218-Q224 VanDerWaalsContact CD2-C 3.46Å; Y218-Q224 VanDerWaalsContact CD2-O 3.25Å; Y218-Q224 WeakPolarHBondContact CD2-O 3.46Å; D219-Q224 PolarHBondContact N-O 3.27Å; D219-Q224 PolarHBondContact O-N 3.42Å; T222-Q224 VanDerWaalsContact C-N 3.33Å; T222-Q224 WeakPolarHBondContact OG1-CG 3.41Å; Q224-R226 HydrophobicContact CB-CG 4.32Å; Q224-Y294 WeakPolarHBondContact CA-O 3.39Å; Q224-K295 HydrophobicContact CG-CD 4.3Å; Q224-K295 HydrophobicContact CG-CG 4.08Å; Q224-I305 HydrophobicContact CG-CD1 4.15Å |
| 225 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 127.4 | 160.8 | 175.7 | 72.2 | 0 | 0 | 0 | 108.7 | L47 P199 I217 Y218 I227 L293 Y294 W302 | L47-L225 HydrophobicContact CD1-CD1 3.88Å; P199-L225 VanDerWaalsContact CD-CD2 3.43Å; P199-L225 HydrophobicContact CG-CD2 3.47Å; P199-L225 VanDerWaalsContact CG-CD2 3.47Å; I217-L225 HydrophobicContact CB-CD1 3.91Å; I217-L225 HydrophobicContact CD1-CD1 3.89Å; I217-L225 HydrophobicContact CG1-CD1 3.83Å; I217-L225 WeakPolarHBondContact O-CD1 3.48Å; Y218-L225 HydrophobicContact CD2-CB 4.28Å; L225-I227 HydrophobicContact CD1-CD1 3.78Å; L225-I227 HydrophobicContact CD2-CD1 4.13Å; L225-I227 HydrophobicContact CD2-CG1 4.3Å; L225-I227 HydrophobicContact CG-CD1 3.79Å; L225-I227 HydrophobicContact CG-CG1 4.1Å; L225-L293 WeakPolarHBondContact O-CA 3.27Å; L225-Y294 PolarHBondContact N-O 2.88Å; L225-Y294 PolarHBondContact O-N 3.4Å; L225-W302 HydrophobicContact CB-CE3 4.22Å; L225-W302 HydrophobicContact CB-CH2 3.75Å; L225-W302 HydrophobicContact CB-CZ2 4.29Å; L225-W302 HydrophobicContact CB-CZ3 3.71Å; L225-W302 HydrophobicContact CD2-CD2 4.35Å; L225-W302 HydrophobicContact CD2-CZ2 4.47Å |
| 226 | R | 98.3 | Very high | 97.6 | Very high | 125 Ų | 125 | 52.1 Ų | 52.1 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 101.3 | -173.2 | -58.2 | -179.1 | 67.9 | 171.5 | -1 | 109.2 | I217 Q224 L293 | I217-R226 PolarHBondContact O-N 2.93Å; Q224-R226 HydrophobicContact CB-CG 4.32Å; R226-L293 HydrophobicContact CB-CD2 4.33Å; R226-L293 HydrophobicContact CG-CD2 3.83Å |
| 227 | I | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 119.6 | -179.3 | -54.8 | -53.4 | 0 | 0 | 0 | 109.5 | E200 L203 R204 L225 Y230 F286 A291 L292 | E200-I227 HydrophobicContact CB-CG1 4.46Å; E200-I227 HydrophobicContact CB-CG2 4.1Å; E200-I227 HydrophobicContact CG-CG1 4.45Å; E200-I227 HydrophobicContact CG-CG2 4.31Å; L203-I227 HydrophobicContact CD2-CG2 4.03Å; L203-I227 HydrophobicContact CG-CG2 4.48Å; R204-I227 HydrophobicContact CG-CD1 4.18Å; R204-I227 HydrophobicContact CG-CG2 4.18Å; L225-I227 HydrophobicContact CD1-CD1 3.78Å; L225-I227 HydrophobicContact CD2-CD1 4.13Å; L225-I227 HydrophobicContact CD2-CG1 4.3Å; L225-I227 HydrophobicContact CG-CD1 3.79Å; L225-I227 HydrophobicContact CG-CG1 4.1Å; I227-Y230 HydrophobicContact CG2-CE2 3.6Å; I227-F286 WeakPolarHBondContact O-CE1 3.36Å; I227-A291 CarbonylContact O-C 3.55Å; I227-A291 WeakPolarHBondContact O-CA 3.36Å; I227-L292 HydrophobicContact CB-CB 4.31Å; I227-L292 PolarHBondContact N-O 3.13Å; I227-L292 PolarHBondContact O-N 3.37Å |
| 228 | G | 96.4 | Very high | 97.5 | Very high | 18 Ų | 18 | 56.9 Ų | 56.9 | 19% | 0.186 | 31% | 0.306 | C | S | . | . | trans | 74.6 | -163.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y230 A291 | G228-Y230 VanDerWaalsContact CA-CE1 3.42Å; G228-Y230 PolarHBondContact N-OH 2.62Å; G228-A291 WeakPolarHBondContact O-CB 3.43Å | ||
| 229 | P | 96.7 | Very high | 97.5 | Very high | 51 Ų | 51 | 60.1 Ų | 60.1 | 33% | 0.331 | 33% | 0.325 | S | S | . | . | cis | -63.8 | 138.6 | -2 | 29.1 | -36.1 | 0 | 0 | 0 | 112 | F286 N289 | P229-F286 HydrophobicContact CB-CB 3.86Å; P229-F286 HydrophobicContact CB-CD1 4.27Å; P229-F286 HydrophobicContact CB-CD2 4.17Å; P229-F286 HydrophobicContact CB-CG 3.84Å; P229-N289 VanDerWaalsContact CB-OD1 3.29Å; P229-N289 WeakPolarHBondContact CB-OD1 3.23Å; P229-N289 WeakPolarHBondContact CG-OD1 3.23Å | ||
| 230 | Y | 97.4 | Very high | 97.5 | Very high | 22 Ų | 22 | 63.1 Ų | 63.1 | 9% | 0.086 | 34% | 0.336 | C | S | . | . | trans | -107.5 | 152.1 | 174.1 | -56.9 | -38.9 | 0 | 0 | 0 | 110.7 | L203 R207 I215 I227 G228 A282 F286 | L203-Y230 HydrophobicContact CD1-CD2 4Å; L203-Y230 HydrophobicContact CG-CD2 4.13Å; L203-Y230 HydrophobicContact CG-CE2 4.31Å; R207-Y230 HydrophobicContact CB-CD2 3.97Å; R207-Y230 HydrophobicContact CB-CE2 4.33Å; R207-Y230 HydrophobicContact CB-CG 4.26Å; R207-Y230 VanDerWaalsContact CD-CE1 3.43Å; R207-Y230 HydrophobicContact CG-CD1 3.98Å; R207-Y230 HydrophobicContact CG-CD2 3.99Å; R207-Y230 HydrophobicContact CG-CE1 4.36Å; R207-Y230 HydrophobicContact CG-CE2 4.36Å; R207-Y230 HydrophobicContact CG-CG 3.82Å; I215-Y230 HydrophobicContact CD1-CE1 3.44Å; I215-Y230 VanDerWaalsContact CD1-CE1 3.44Å; I215-Y230 VanDerWaalsContact CD1-OH 3.23Å; I215-Y230 WeakPolarHBondContact CD1-OH 3.46Å; I227-Y230 HydrophobicContact CG2-CE2 3.6Å; G228-Y230 VanDerWaalsContact CA-CE1 3.42Å; G228-Y230 PolarHBondContact N-OH 2.62Å; Y230-A282 WeakPolarHBondContact O-CA 3.44Å; Y230-F286 HydrophobicContact CD2-CE2 4.44Å; Y230-F286 AromaticContact CD2-CZ 3.86Å; Y230-F286 HydrophobicContact CD2-CZ 3.86Å; Y230-F286 HydrophobicContact CG-CE2 4.43Å; Y230-F286 HydrophobicContact CG-CZ 4.15Å | ||
| 231 | S | 96.6 | Very high | 97.6 | Very high | 95 Ų | 95 | 64.6 Ų | 64.6 | 66% | 0.664 | 34% | 0.338 | S | S | * | . | trans | -141 | 140.3 | 174.5 | -171.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 232 | W | 97.6 | Very high | 97.7 | Very high | 20 Ų | 20 | 57.8 Ų | 57.8 | 8% | 0.076 | 31% | 0.31 | C | S | . | . | trans | -151.6 | 165.5 | 172.4 | 57.4 | 71.1 | 0 | 0 | 0 | 109.7 | L203 A206 R207 A210 F274 L275 F278 P281 | L203-W232 HydrophobicContact CD1-CH2 3.73Å; L203-W232 HydrophobicContact CD1-CZ3 4.13Å; A206-W232 HydrophobicContact CB-CH2 3.91Å; A206-W232 HydrophobicContact CB-CZ2 4.27Å; A206-W232 HydrophobicContact CB-CZ3 4.49Å; R207-W232 HydrophobicContact CB-CE3 4.33Å; R207-W232 HydrophobicContact CB-CZ3 3.92Å; A210-W232 HydrophobicContact CB-CB 3.8Å; A210-W232 HydrophobicContact CB-CD2 4.2Å; A210-W232 HydrophobicContact CB-CE3 4.5Å; A210-W232 HydrophobicContact CB-CG 3.94Å; W232-F274 HydrophobicContact CH2-CD1 4.46Å; W232-F274 HydrophobicContact CH2-CE1 4.04Å; W232-F274 HydrophobicContact CZ2-CD1 4.4Å; W232-F274 HydrophobicContact CZ2-CE1 4.21Å; W232-L275 HydrophobicContact CD2-CD2 4.26Å; W232-L275 HydrophobicContact CZ2-CD2 3.89Å; W232-F278 WeakPolarHBondContact CZ2-O 3.26Å; W232-F278 PolarHBondContact NE1-O 3.28Å; W232-P281 HydrophobicContact CD2-CG 3.6Å; W232-P281 VanDerWaalsContact CE2-CD 3.46Å; W232-P281 VanDerWaalsContact CE2-CG 3.47Å; W232-P281 HydrophobicContact CE3-CG 3.75Å; W232-P281 HydrophobicContact CG-CG 4.29Å; W232-P281 HydrophobicContact CH2-CB 4.02Å; W232-P281 HydrophobicContact CH2-CG 3.73Å; W232-P281 HydrophobicContact CZ2-CB 3.85Å; W232-P281 HydrophobicContact CZ2-CG 3.55Å; W232-P281 HydrophobicContact CZ3-CG 3.81Å | ||
| 233 | T | 96.9 | Very high | 97.8 | Very high | 115 Ų | 115 | 62.7 Ų | 62.7 | 71% | 0.706 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -90.5 | 160.9 | 169 | 50.3 | 0 | 0 | 0 | 0 | 110.5 | F235 P279 | T233-F235 PolarHBondContact O-N 2.82Å; T233-P279 CarbonylContact C-O 3.55Å |
| 234 | P | 97.7 | Very high | 97.8 | Very high | 86 Ų | 86 | 62.2 Ų | 62.2 | 56% | 0.558 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 131.9 | 179.7 | -24 | 31.6 | 0 | 0 | 0 | 111.8 | P279 | P234-P279 HydrophobicContact CB-CB 4Å; P234-P279 HydrophobicContact CG-CB 4.06Å |
| 235 | F | 97.8 | Very high | 97.8 | Very high | 33 Ų | 33 | 64.6 Ų | 64.6 | 15% | 0.145 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 125.5 | -178.9 | -171 | -92.6 | 0 | 0 | 0 | 110.5 | L209 T233 H237 V238 W241 L272 L275 | L209-F235 HydrophobicContact CD1-CE2 4.43Å; L209-F235 HydrophobicContact CG-CE2 3.95Å; L209-F235 HydrophobicContact CG-CZ 4.38Å; T233-F235 PolarHBondContact O-N 2.82Å; F235-H237 PolarHBondContact O-N 2.83Å; F235-V238 HydrophobicContact CB-CB 4.35Å; F235-V238 HydrophobicContact CD1-CB 4.1Å; F235-V238 HydrophobicContact CD1-CG2 4.37Å; F235-V238 PolarHBondContact O-N 3.29Å; F235-W241 AromaticContact CE1-CD1 3.8Å; F235-L272 HydrophobicContact CD1-CD2 3.87Å; F235-L272 HydrophobicContact CE1-CD2 3.6Å; F235-L272 HydrophobicContact CZ-CD2 4.12Å; F235-L275 HydrophobicContact CB-CB 4.12Å; F235-L275 HydrophobicContact CB-CD1 4.04Å; F235-L275 HydrophobicContact CB-CG 4.49Å; F235-L275 HydrophobicContact CD2-CD1 3.76Å; F235-L275 HydrophobicContact CE2-CD1 4.41Å; F235-L275 HydrophobicContact CG-CD1 3.94Å |
| 236 | P | 97.8 | Very high | 97.8 | Very high | 85 Ų | 85 | 68.9 Ų | 68.9 | 55% | 0.552 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 130.5 | -176.5 | -25.8 | 34.8 | 0 | 0 | 0 | 112.4 | V238 | P236-V238 PolarHBondContact O-N 3.15Å; P236-V238 VanDerWaalsContact O-N 3.15Å |
| 237 | H | 97.5 | Very high | 97.7 | Very high | 144 Ų | 144 | 69 Ų | 69 | 67% | 0.667 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 31.7 | 173.8 | -50.6 | -72.6 | 0 | 0 | 0 | 114.6 | F235 D239 F240 W241 | F235-H237 PolarHBondContact O-N 2.83Å; H237-D239 VanDerWaalsContact C-N 3.29Å; H237-D239 PolarHBondContact O-N 3Å; H237-F240 HydrophobicContact CB-CB 4.09Å; H237-F240 WeakPolarHBondContact O-CB 3.2Å; H237-F240 PolarHBondContact O-N 3.31Å; H237-W241 VanDerWaalsContact O-CD1 3.27Å; H237-W241 PolarHBondContact O-N 3.05Å |
| 238 | V | 97.9 | Very high | 97.7 | Very high | 17 Ų | 17 | 72.1 Ų | 72.1 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -54.4 | -40.2 | -176.8 | 69.2 | 0 | 0 | 0 | 0 | 113.7 | F235 P236 F240 W241 L242 L272 K276 | F235-V238 HydrophobicContact CB-CB 4.35Å; F235-V238 HydrophobicContact CD1-CB 4.1Å; F235-V238 HydrophobicContact CD1-CG2 4.37Å; F235-V238 PolarHBondContact O-N 3.29Å; P236-V238 PolarHBondContact O-N 3.15Å; P236-V238 VanDerWaalsContact O-N 3.15Å; V238-F240 VanDerWaalsContact C-N 3.35Å; V238-F240 PolarHBondContact O-N 2.98Å; V238-W241 PolarHBondContact O-N 3.49Å; V238-L242 HydrophobicContact CG2-CD1 4.19Å; V238-L242 VanDerWaalsContact O-CG 3.32Å; V238-L242 WeakPolarHBondContact O-CG 3.5Å; V238-L242 PolarHBondContact O-N 2.91Å; V238-L272 HydrophobicContact CG2-CB 4.16Å; V238-L272 HydrophobicContact CG2-CD2 4.18Å; V238-L272 VanDerWaalsContact CG2-O 3.26Å; V238-L272 WeakPolarHBondContact CG2-O 3.48Å; V238-K276 HydrophobicContact CG1-CB 4Å; V238-K276 HydrophobicContact CG1-CG 4.31Å; V238-K276 HydrophobicContact CG2-CB 3.91Å |
| 239 | D | 98.2 | Very high | 97.8 | Very high | 78 Ų | 78 | 71.2 Ų | 71.2 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 176.6 | -72.3 | -65.1 | 0 | 0 | 0 | 113 | H237 Q243 K276 | H237-D239 VanDerWaalsContact C-N 3.29Å; H237-D239 PolarHBondContact O-N 3Å; D239-Q243 VanDerWaalsContact O-CG 3.31Å; D239-Q243 WeakPolarHBondContact O-CG 3.4Å; D239-Q243 PolarHBondContact O-N 3.41Å; D239-K276 WeakPolarHBondContact OD1-CD 3.26Å; D239-K276 WeakPolarHBondContact OD1-CE 3.44Å; D239-K276 IonicContact OD1-NZ 3.28Å; D239-K276 PolarHBondContact OD1-NZ 3.23Å |
| 240 | F | 98.3 | Very high | 97.8 | Very high | 103 Ų | 103 | 70.9 Ų | 70.9 | 45% | 0.452 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66 | -47 | 176.6 | 166.2 | -92.1 | 0 | 0 | 0 | 110.5 | H237 V238 L242 Q243 Q244 | H237-F240 HydrophobicContact CB-CB 4.09Å; H237-F240 WeakPolarHBondContact O-CB 3.2Å; H237-F240 PolarHBondContact O-N 3.31Å; V238-F240 VanDerWaalsContact C-N 3.35Å; V238-F240 PolarHBondContact O-N 2.98Å; F240-L242 VanDerWaalsContact C-N 3.34Å; F240-L242 PolarHBondContact O-N 3.41Å; F240-Q243 PolarHBondContact O-N 3.49Å; F240-Q243 VanDerWaalsContact O-N 3.12Å; F240-Q244 HydrophobicContact CD1-CG 4.4Å; F240-Q244 HydrophobicContact CE1-CG 4.02Å; F240-Q244 VanDerWaalsContact CE2-NE2 3.29Å; F240-Q244 HydrophobicContact CZ-CG 4.27Å; F240-Q244 WeakPolarHBondContact O-CG 3.29Å; F240-Q244 PolarHBondContact O-N 3.26Å; F240-Q244 PolarHBondContact O-NE2 2.78Å |
| 241 | W | 98.4 | Very high | 97.8 | Very high | 47 Ų | 47 | 73.6 Ų | 73.6 | 18% | 0.178 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 178.9 | -71.5 | 118.5 | 0 | 0 | 0 | 112.6 | F235 H237 V238 Q243 Q244 N252 L253 L272 | F235-W241 AromaticContact CE1-CD1 3.8Å; H237-W241 VanDerWaalsContact O-CD1 3.27Å; H237-W241 PolarHBondContact O-N 3.05Å; V238-W241 PolarHBondContact O-N 3.49Å; W241-Q243 PolarHBondContact O-N 3.44Å; W241-Q244 HydrophobicContact CE3-CG 3.97Å; W241-Q244 HydrophobicContact CZ3-CG 4.41Å; W241-Q244 WeakPolarHBondContact O-CB 3.49Å; W241-Q244 PolarHBondContact O-N 2.73Å; W241-Q244 VanDerWaalsContact O-N 3.13Å; W241-N252 HydrophobicContact CH2-CB 3.58Å; W241-N252 HydrophobicContact CZ3-CB 3.7Å; W241-L253 HydrophobicContact CD2-CD1 4.31Å; W241-L253 HydrophobicContact CD2-CD2 4.37Å; W241-L253 HydrophobicContact CE3-CD1 4.24Å; W241-L253 HydrophobicContact CE3-CG 4.38Å; W241-L253 HydrophobicContact CG-CD1 4.49Å; W241-L253 HydrophobicContact CZ2-CD2 4.42Å; W241-L272 HydrophobicContact CB-CD1 3.85Å |
| 242 | L | 98.3 | Very high | 97.8 | Very high | 30 Ų | 30 | 73.1 Ų | 73.1 | 16% | 0.157 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.7 | -23.3 | 176.7 | -75.8 | 166.6 | 0 | 0 | 0 | 113.7 | V238 F240 R269 L272 M273 K276 | V238-L242 HydrophobicContact CG2-CD1 4.19Å; V238-L242 VanDerWaalsContact O-CG 3.32Å; V238-L242 WeakPolarHBondContact O-CG 3.5Å; V238-L242 PolarHBondContact O-N 2.91Å; F240-L242 VanDerWaalsContact C-N 3.34Å; F240-L242 PolarHBondContact O-N 3.41Å; L242-R269 PolarHBondContact O-NH1 2.86Å; L242-R269 VanDerWaalsContact O-NH1 3.1Å; L242-L272 HydrophobicContact CD2-CB 3.65Å; L242-L272 HydrophobicContact CD2-CD1 4.44Å; L242-L272 HydrophobicContact CG-CB 3.95Å; L242-M273 HydrophobicContact CD1-CG 4.39Å; L242-M273 HydrophobicContact CD1-SD 3.55Å; L242-M273 VanDerWaalsContact CD1-SD 3.55Å; L242-M273 HydrophobicContact CD2-CG 3.7Å; L242-M273 HydrophobicContact CD2-SD 3.78Å; L242-M273 HydrophobicContact CG-SD 4.29Å; L242-K276 HydrophobicContact CD1-CB 4.34Å; L242-K276 HydrophobicContact CD1-CD 3.72Å |
| 243 | Q | 98.1 | Very high | 97.8 | Very high | 155 Ų | 155 | 74 Ų | 74 | 72% | 0.724 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -90.1 | -11.4 | 178 | -68.6 | 171.7 | 13.2 | 0 | 0 | 113.7 | D239 F240 W241 | D239-Q243 VanDerWaalsContact O-CG 3.31Å; D239-Q243 WeakPolarHBondContact O-CG 3.4Å; D239-Q243 PolarHBondContact O-N 3.41Å; F240-Q243 PolarHBondContact O-N 3.49Å; F240-Q243 VanDerWaalsContact O-N 3.12Å; W241-Q243 PolarHBondContact O-N 3.44Å |
| 244 | Q | 98.5 | Very high | 97.7 | Very high | 42 Ų | 42 | 68.9 Ų | 68.9 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -70.5 | 155.3 | 179.9 | -60.4 | -44.9 | -68.7 | 0 | 0 | 111.2 | F240 W241 Q248 I249 R269 | F240-Q244 HydrophobicContact CD1-CG 4.4Å; F240-Q244 HydrophobicContact CE1-CG 4.02Å; F240-Q244 VanDerWaalsContact CE2-NE2 3.29Å; F240-Q244 HydrophobicContact CZ-CG 4.27Å; F240-Q244 WeakPolarHBondContact O-CG 3.29Å; F240-Q244 PolarHBondContact O-N 3.26Å; F240-Q244 PolarHBondContact O-NE2 2.78Å; W241-Q244 HydrophobicContact CE3-CG 3.97Å; W241-Q244 HydrophobicContact CZ3-CG 4.41Å; W241-Q244 WeakPolarHBondContact O-CB 3.49Å; W241-Q244 PolarHBondContact O-N 2.73Å; W241-Q244 VanDerWaalsContact O-N 3.13Å; Q244-Q248 HydrophobicContact CB-CB 3.82Å; Q244-Q248 HydrophobicContact CG-CB 4.33Å; Q244-I249 HydrophobicContact CB-CG1 4.3Å; Q244-R269 PolarHBondContact O-NH1 2.96Å; Q244-R269 VanDerWaalsContact O-NH1 3.09Å; Q244-R269 PolarHBondContact O-NH2 3.08Å |
| 245 | D | 98.3 | Very high | 97.6 | Very high | 91 Ų | 91 | 67.4 Ų | 67.4 | 49% | 0.487 | 34% | 0.336 | S | S | . | . | trans | -72.2 | 169.5 | 170 | 67.4 | 35.7 | 0 | 0 | 0 | 111.7 | K247 Q248 I249 | D245-K247 VanDerWaalsContact C-N 3.26Å; D245-K247 PolarHBondContact O-N 3.19Å; D245-K247 WeakPolarHBondContact OD1-CB 3.31Å; D245-K247 PolarHBondContact OD1-N 3.18Å; D245-K247 VanDerWaalsContact OD1-N 3.14Å; D245-Q248 PolarHBondContact O-N 2.99Å; D245-Q248 WeakPolarHBondContact OD1-CB 3.37Å; D245-Q248 WeakPolarHBondContact OD1-CG 3.39Å; D245-Q248 PolarHBondContact OD1-N 3.4Å; D245-I249 PolarHBondContact O-N 3.24Å; D245-I249 VanDerWaalsContact O-N 3.12Å | ||
| 246 | D | 98.3 | Very high | 97.5 | Very high | 89 Ų | 89 | 66.3 Ų | 66.3 | 48% | 0.476 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.2 | -33.5 | -175.1 | -66.6 | -3.9 | 0 | 0 | 0 | 112.2 | I249 L250 V265 R269 | D246-I249 PolarHBondContact O-N 3.35Å; D246-L250 WeakPolarHBondContact O-CG 3.02Å; D246-L250 PolarHBondContact O-N 3.14Å; D246-V265 HydrophobicContact CB-CG1 4.01Å; D246-V265 HydrophobicContact CB-CG2 4.2Å; D246-V265 WeakPolarHBondContact OD1-CG1 3.47Å; D246-R269 IonicContact OD1-CZ 3.65Å; D246-R269 IonicContact OD1-NE 3.38Å; D246-R269 PolarHBondContact OD1-NE 3.35Å; D246-R269 IonicContact OD1-NH2 2.78Å; D246-R269 PolarHBondContact OD1-NH2 2.95Å |
| 247 | K | 97.8 | Very high | 97.4 | Very high | 128 Ų | 128 | 63.6 Ų | 63.6 | 56% | 0.557 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.4 | -46.8 | 178.2 | -180 | 179.3 | 174.5 | 179.7 | 0 | 110.9 | D245 I249 L250 E251 | D245-K247 VanDerWaalsContact C-N 3.26Å; D245-K247 PolarHBondContact O-N 3.19Å; D245-K247 WeakPolarHBondContact OD1-CB 3.31Å; D245-K247 PolarHBondContact OD1-N 3.18Å; D245-K247 VanDerWaalsContact OD1-N 3.14Å; K247-I249 VanDerWaalsContact C-N 3.3Å; K247-I249 PolarHBondContact O-N 2.84Å; K247-L250 PolarHBondContact O-N 2.8Å; K247-E251 VanDerWaalsContact CE-CD 3.45Å; K247-E251 WeakPolarHBondContact CE-OE1 3.5Å; K247-E251 HydrophobicContact CG-CG 4.33Å; K247-E251 IonicContact NZ-OE1 2.68Å; K247-E251 WeakPolarHBondContact O-CB 3.33Å; K247-E251 WeakPolarHBondContact O-CG 3.09Å; K247-E251 PolarHBondContact O-N 2.89Å |
| 248 | Q | 97.9 | Very high | 97.3 | Very high | 65 Ų | 65 | 62.4 Ų | 62.4 | 30% | 0.304 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.4 | -36.5 | 176.7 | -72.8 | -54.9 | -45 | 0 | 0 | 112 | Q244 D245 N252 | Q244-Q248 HydrophobicContact CB-CB 3.82Å; Q244-Q248 HydrophobicContact CG-CB 4.33Å; D245-Q248 PolarHBondContact O-N 2.99Å; D245-Q248 WeakPolarHBondContact OD1-CB 3.37Å; D245-Q248 WeakPolarHBondContact OD1-CG 3.39Å; D245-Q248 PolarHBondContact OD1-N 3.4Å; Q248-N252 WeakPolarHBondContact O-CB 3.28Å; Q248-N252 PolarHBondContact O-N 3.3Å; Q248-N252 PolarHBondContact O-ND2 3.48Å; Q248-N252 PolarHBondContact OE1-ND2 2.89Å |
| 249 | I | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.5 | -48.1 | 174.2 | -71.6 | 179.1 | 0 | 0 | 0 | 110.8 | Q244 D245 D246 K247 L253 F264 V265 I268 R269 | Q244-I249 HydrophobicContact CB-CG1 4.3Å; D245-I249 PolarHBondContact O-N 3.24Å; D245-I249 VanDerWaalsContact O-N 3.12Å; D246-I249 PolarHBondContact O-N 3.35Å; K247-I249 VanDerWaalsContact C-N 3.3Å; K247-I249 PolarHBondContact O-N 2.84Å; I249-L253 HydrophobicContact CG2-CD1 4.29Å; I249-L253 WeakPolarHBondContact O-CA 3.33Å; I249-L253 VanDerWaalsContact O-CB 3.28Å; I249-L253 WeakPolarHBondContact O-CB 3.38Å; I249-L253 PolarHBondContact O-N 2.99Å; I249-F264 HydrophobicContact CG2-CE1 4.46Å; I249-V265 HydrophobicContact CB-CG1 4.28Å; I249-V265 HydrophobicContact CD1-CG1 4.02Å; I249-V265 HydrophobicContact CG2-CG1 4.07Å; I249-V265 HydrophobicContact CG2-CG2 4.24Å; I249-I268 HydrophobicContact CG2-CB 4.24Å; I249-I268 HydrophobicContact CG2-CG2 3.82Å; I249-R269 HydrophobicContact CD1-CG 3.8Å |
| 250 | L | 97.3 | Very high | 97.1 | Very high | 43 Ų | 43 | 59.3 Ų | 59.3 | 23% | 0.225 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.8 | -52.4 | 177.7 | -74.3 | 163.7 | 0 | 0 | 0 | 111.2 | D246 K247 N252 S254 P257 E260 F264 V265 | D246-L250 WeakPolarHBondContact O-CG 3.02Å; D246-L250 PolarHBondContact O-N 3.14Å; K247-L250 PolarHBondContact O-N 2.8Å; L250-N252 VanDerWaalsContact C-N 3.25Å; L250-N252 PolarHBondContact O-N 3.42Å; L250-S254 VanDerWaalsContact O-CB 3.27Å; L250-S254 WeakPolarHBondContact O-CB 3.27Å; L250-S254 PolarHBondContact O-N 2.85Å; L250-P257 HydrophobicContact CB-CB 4.09Å; L250-P257 WeakPolarHBondContact O-CG 3.43Å; L250-E260 HydrophobicContact CD2-CB 3.98Å; L250-E260 HydrophobicContact CD2-CG 3.97Å; L250-F264 HydrophobicContact CD2-CD1 3.49Å; L250-F264 VanDerWaalsContact CD2-CD1 3.49Å; L250-F264 HydrophobicContact CD2-CE1 3.99Å; L250-F264 HydrophobicContact CD2-CG 4.32Å; L250-F264 HydrophobicContact CG-CD1 4.49Å; L250-V265 HydrophobicContact CD1-CG2 4.02Å; L250-V265 HydrophobicContact CD2-CG2 3.88Å; L250-V265 HydrophobicContact CG-CG2 3.59Å |
| 251 | E | 97.2 | Very high | 96.8 | Very high | 80 Ų | 80 | 55 Ų | 55 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.1 | -30.8 | -174.2 | -73.1 | 177.7 | 162.7 | 0 | 0 | 113.7 | K247 P257 | K247-E251 VanDerWaalsContact CE-CD 3.45Å; K247-E251 WeakPolarHBondContact CE-OE1 3.5Å; K247-E251 HydrophobicContact CG-CG 4.33Å; K247-E251 IonicContact NZ-OE1 2.68Å; K247-E251 WeakPolarHBondContact O-CB 3.33Å; K247-E251 WeakPolarHBondContact O-CG 3.09Å; K247-E251 PolarHBondContact O-N 2.89Å; E251-P257 HydrophobicContact CG-CB 4.48Å |
| 252 | N | 97.2 | Very high | 96.6 | Very high | 85 Ų | 85 | 59.3 Ų | 59.3 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -109.3 | -26.5 | -172.2 | -63.9 | -81.5 | 0 | 0 | 0 | 115 | W241 Q248 L250 | W241-N252 HydrophobicContact CH2-CB 3.58Å; W241-N252 HydrophobicContact CZ3-CB 3.7Å; Q248-N252 WeakPolarHBondContact O-CB 3.28Å; Q248-N252 PolarHBondContact O-N 3.3Å; Q248-N252 PolarHBondContact O-ND2 3.48Å; Q248-N252 PolarHBondContact OE1-ND2 2.89Å; L250-N252 VanDerWaalsContact C-N 3.25Å; L250-N252 PolarHBondContact O-N 3.42Å |
| 253 | L | 96.6 | Very high | 96.4 | Very high | 39 Ų | 39 | 61.2 Ų | 61.2 | 20% | 0.204 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -111.4 | -4.3 | -176.4 | -55 | -177.8 | 0 | 0 | 0 | 113.4 | W241 I249 I268 L272 | W241-L253 HydrophobicContact CD2-CD1 4.31Å; W241-L253 HydrophobicContact CD2-CD2 4.37Å; W241-L253 HydrophobicContact CE3-CD1 4.24Å; W241-L253 HydrophobicContact CE3-CG 4.38Å; W241-L253 HydrophobicContact CG-CD1 4.49Å; W241-L253 HydrophobicContact CZ2-CD2 4.42Å; I249-L253 HydrophobicContact CG2-CD1 4.29Å; I249-L253 WeakPolarHBondContact O-CA 3.33Å; I249-L253 VanDerWaalsContact O-CB 3.28Å; I249-L253 WeakPolarHBondContact O-CB 3.38Å; I249-L253 PolarHBondContact O-N 2.99Å; L253-I268 HydrophobicContact CD1-CG2 3.78Å; L253-L272 HydrophobicContact CD1-CD1 4.05Å |
| 254 | S | 95.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 5% | 0.049 | 29% | 0.291 | C | S | . | . | trans | -106.6 | 150.1 | 168.5 | 159.5 | 0 | 0 | 0 | 0 | 111.9 | R133 L250 S256 E260 F264 | R133-S254 PolarHBondContact NH1-O 3.44Å; L250-S254 VanDerWaalsContact O-CB 3.27Å; L250-S254 WeakPolarHBondContact O-CB 3.27Å; L250-S254 PolarHBondContact O-N 2.85Å; S254-S256 PolarHBondContact OG-N 2.78Å; S254-S256 PolarHBondContact OG-O 2.73Å; S254-E260 VanDerWaalsContact CB-OE1 3.29Å; S254-E260 WeakPolarHBondContact CB-OE1 3.36Å; S254-E260 VanDerWaalsContact OG-CD 3.23Å; S254-E260 WeakPolarHBondContact OG-CG 3.48Å; S254-E260 PolarHBondContact OG-OE1 2.69Å; S254-F264 VanDerWaalsContact CB-CZ 3.5Å | ||
| 255 | T | 94.7 | Very high | 96.4 | Very high | 55 Ų | 55 | 54 Ų | 54 | 34% | 0.337 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -76 | -26.2 | 170.2 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | T74 R133 L135 | T74-T255 WeakPolarHBondContact OG1-CB 3.43Å; T74-T255 PolarHBondContact OG1-OG1 3.14Å; R133-T255 WeakPolarHBondContact CD-O 3.42Å; R133-T255 PolarHBondContact NH1-O 3Å; L135-T255 HydrophobicContact CD1-CG2 4.05Å |
| 256 | S | 94.8 | Very high | 96.4 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -140.4 | 79 | -177.2 | 51.4 | 0 | 0 | 0 | 0 | 111.7 | T73 S254 L258 A259 E260 | T73-S256 VanDerWaalsContact CB-OG 3.31Å; T73-S256 WeakPolarHBondContact CB-OG 3.46Å; T73-S256 PolarHBondContact OG1-OG 3.1Å; S254-S256 PolarHBondContact OG-N 2.78Å; S254-S256 PolarHBondContact OG-O 2.73Å; S256-L258 PolarHBondContact O-N 3.09Å; S256-A259 PolarHBondContact O-N 2.76Å; S256-E260 PolarHBondContact O-N 3.21Å |
| 257 | P | 95.9 | Very high | 96.3 | Very high | 29 Ų | 29 | 55 Ų | 55 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -30.2 | -167.7 | -28.5 | 35.1 | 0 | 0 | 0 | 116 | L250 E251 | L250-P257 HydrophobicContact CB-CB 4.09Å; L250-P257 WeakPolarHBondContact O-CG 3.43Å; E251-P257 HydrophobicContact CG-CB 4.48Å |
| 258 | L | 95.2 | Very high | 96.3 | Very high | 118 Ų | 118 | 49.7 Ų | 49.7 | 62% | 0.618 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -21.2 | -179.6 | -62.5 | 178.4 | 0 | 0 | 0 | 113 | N172 F174 S256 | N172-L258 WeakPolarHBondContact OD1-CD1 3.34Å; F174-L258 WeakPolarHBondContact CE1-O 3.43Å; S256-L258 PolarHBondContact O-N 3.09Å |
| 259 | A | 95.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.017 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -2.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F129 F174 Y178 S256 | F129-A259 HydrophobicContact CE1-CB 3.81Å; F129-A259 HydrophobicContact CE2-CB 4.18Å; F129-A259 HydrophobicContact CZ-CB 3.51Å; F174-A259 HydrophobicContact CD1-CB 4.09Å; Y178-A259 WeakPolarHBondContact CE1-O 3.07Å; Y178-A259 PolarHBondContact OH-O 2.81Å; S256-A259 PolarHBondContact O-N 2.76Å |
| 260 | E | 95.8 | Very high | 96.4 | Very high | 28 Ų | 28 | 51.5 Ų | 51.5 | 13% | 0.131 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -64.1 | 147.2 | 179.2 | -69 | -58.5 | 162.9 | 0 | 0 | 112.9 | T73 L250 S254 S256 F264 | T73-E260 WeakPolarHBondContact CG2-OE2 3.34Å; L250-E260 HydrophobicContact CD2-CB 3.98Å; L250-E260 HydrophobicContact CD2-CG 3.97Å; S254-E260 VanDerWaalsContact CB-OE1 3.29Å; S254-E260 WeakPolarHBondContact CB-OE1 3.36Å; S254-E260 VanDerWaalsContact OG-CD 3.23Å; S254-E260 WeakPolarHBondContact OG-CG 3.48Å; S254-E260 PolarHBondContact OG-OE1 2.69Å; S256-E260 PolarHBondContact O-N 3.21Å; E260-F264 HydrophobicContact CB-CB 3.73Å; E260-F264 HydrophobicContact CB-CD1 4.28Å; E260-F264 HydrophobicContact CB-CD2 4.12Å; E260-F264 HydrophobicContact CB-CG 3.78Å; E260-F264 VanDerWaalsContact CD-CD2 3.42Å; E260-F264 HydrophobicContact CG-CB 4.27Å; E260-F264 HydrophobicContact CG-CD1 4.02Å; E260-F264 HydrophobicContact CG-CD2 3.77Å; E260-F264 HydrophobicContact CG-CE1 4.32Å; E260-F264 HydrophobicContact CG-CE2 4.09Å; E260-F264 HydrophobicContact CG-CG 3.74Å; E260-F264 HydrophobicContact CG-CZ 4.36Å; E260-F264 WeakPolarHBondContact OE2-CD2 3.28Å |
| 261 | P | 93.4 | Very high | 96.4 | Very high | 12 Ų | 12 | 49.5 Ų | 49.5 | 8% | 0.078 | 26% | 0.263 | C | S | . | . | trans | -56.9 | 154.3 | 170.3 | -23.1 | 33.5 | 0 | 0 | 0 | 112.6 | D71 Y178 H263 F264 | D71-P261 HydrophobicContact CB-CG 4.18Å; D71-P261 WeakPolarHBondContact OD1-CG 3.15Å; Y178-P261 HydrophobicContact CD1-CG 4.13Å; Y178-P261 HydrophobicContact CE1-CG 4.16Å; P261-H263 WeakPolarHBondContact CB-CE1 3.24Å; P261-H263 PolarHBondContact O-N 3.06Å; P261-H263 VanDerWaalsContact O-N 3.08Å; P261-F264 VanDerWaalsContact O-CB 3.26Å; P261-F264 WeakPolarHBondContact O-CB 3.48Å; P261-F264 PolarHBondContact O-N 3.35Å | ||
| 262 | P | 93.8 | Very high | 96.5 | Very high | 138 Ų | 138 | 45.7 Ų | 45.7 | 90% | 0.896 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -24.4 | -175.6 | 25 | -34.8 | 0 | 0 | 0 | 113.8 | ||
| 263 | H | 95 | Very high | 96.6 | Very high | 70 Ų | 70 | 46.5 Ų | 46.5 | 32% | 0.324 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -0.3 | 179.2 | 58.5 | -83.5 | 0 | 0 | 0 | 114.3 | D71 P261 V265 E266 H267 | D71-H263 IonicContact OD1-CE1 3.02Å; D71-H263 PolarHBondContact OD1-CE1 3.2Å; D71-H263 IonicContact OD1-NE2 3.79Å; D71-H263 PolarHBondContact OD1-NE2 3.42Å; D71-H263 IonicContact OD2-CD2 3.16Å; D71-H263 IonicContact OD2-CE1 2.74Å; D71-H263 IonicContact OD2-NE2 3.87Å; D71-H263 PolarHBondContact OD2-NE2 2.95Å; P261-H263 WeakPolarHBondContact CB-CE1 3.24Å; P261-H263 PolarHBondContact O-N 3.06Å; P261-H263 VanDerWaalsContact O-N 3.08Å; H263-V265 PolarHBondContact O-N 3.42Å; H263-E266 PolarHBondContact O-N 2.6Å; H263-H267 PolarHBondContact O-N 2.9Å |
| 264 | F | 97.3 | Very high | 96.6 | Very high | 31 Ų | 31 | 46.4 Ų | 46.4 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.3 | -50.2 | -172.8 | 174.8 | -91.3 | 0 | 0 | 0 | 113.3 | I249 L250 S254 E260 P261 E266 H267 I268 | I249-F264 HydrophobicContact CG2-CE1 4.46Å; L250-F264 HydrophobicContact CD2-CD1 3.49Å; L250-F264 VanDerWaalsContact CD2-CD1 3.49Å; L250-F264 HydrophobicContact CD2-CE1 3.99Å; L250-F264 HydrophobicContact CD2-CG 4.32Å; L250-F264 HydrophobicContact CG-CD1 4.49Å; S254-F264 VanDerWaalsContact CB-CZ 3.5Å; E260-F264 HydrophobicContact CB-CB 3.73Å; E260-F264 HydrophobicContact CB-CD1 4.28Å; E260-F264 HydrophobicContact CB-CD2 4.12Å; E260-F264 HydrophobicContact CB-CG 3.78Å; E260-F264 VanDerWaalsContact CD-CD2 3.42Å; E260-F264 HydrophobicContact CG-CB 4.27Å; E260-F264 HydrophobicContact CG-CD1 4.02Å; E260-F264 HydrophobicContact CG-CD2 3.77Å; E260-F264 HydrophobicContact CG-CE1 4.32Å; E260-F264 HydrophobicContact CG-CE2 4.09Å; E260-F264 HydrophobicContact CG-CG 3.74Å; E260-F264 HydrophobicContact CG-CZ 4.36Å; E260-F264 WeakPolarHBondContact OE2-CD2 3.28Å; P261-F264 VanDerWaalsContact O-CB 3.26Å; P261-F264 WeakPolarHBondContact O-CB 3.48Å; P261-F264 PolarHBondContact O-N 3.35Å; F264-E266 VanDerWaalsContact C-N 3.35Å; F264-E266 PolarHBondContact O-N 2.69Å; F264-H267 WeakPolarHBondContact O-CB 3.36Å; F264-H267 PolarHBondContact O-N 3.27Å; F264-I268 HydrophobicContact CD1-CG1 4.16Å; F264-I268 HydrophobicContact CD2-CG1 4.44Å; F264-I268 HydrophobicContact CE1-CG1 3.65Å; F264-I268 HydrophobicContact CE2-CD1 4.24Å; F264-I268 HydrophobicContact CE2-CG1 3.96Å; F264-I268 HydrophobicContact CZ-CD1 3.97Å; F264-I268 HydrophobicContact CZ-CG1 3.52Å; F264-I268 WeakPolarHBondContact O-CG1 3.45Å; F264-I268 PolarHBondContact O-N 3.05Å |
| 265 | V | 98.1 | Very high | 96.8 | Very high | 15 Ų | 15 | 46.1 Ų | 46.1 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.2 | -39.7 | -175.8 | 178 | 0 | 0 | 0 | 0 | 111.4 | D246 I249 L250 H263 H267 I268 R269 | D246-V265 HydrophobicContact CB-CG1 4.01Å; D246-V265 HydrophobicContact CB-CG2 4.2Å; D246-V265 WeakPolarHBondContact OD1-CG1 3.47Å; I249-V265 HydrophobicContact CB-CG1 4.28Å; I249-V265 HydrophobicContact CD1-CG1 4.02Å; I249-V265 HydrophobicContact CG2-CG1 4.07Å; I249-V265 HydrophobicContact CG2-CG2 4.24Å; L250-V265 HydrophobicContact CD1-CG2 4.02Å; L250-V265 HydrophobicContact CD2-CG2 3.88Å; L250-V265 HydrophobicContact CG-CG2 3.59Å; H263-V265 PolarHBondContact O-N 3.42Å; V265-H267 VanDerWaalsContact C-N 3.33Å; V265-H267 PolarHBondContact O-N 2.84Å; V265-I268 PolarHBondContact O-N 3.4Å; V265-R269 HydrophobicContact CG1-CG 4.33Å; V265-R269 WeakPolarHBondContact O-CB 3.27Å; V265-R269 VanDerWaalsContact O-CG 3.3Å; V265-R269 WeakPolarHBondContact O-CG 3.5Å; V265-R269 PolarHBondContact O-N 2.85Å |
| 266 | E | 97.6 | Very high | 96.9 | Very high | 151 Ų | 151 | 48.1 Ų | 48.1 | 71% | 0.706 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -59.1 | -46.6 | 174.3 | -176.3 | -179.6 | 173.1 | 0 | 0 | 110.7 | H263 F264 R269 S270 | H263-E266 PolarHBondContact O-N 2.6Å; F264-E266 VanDerWaalsContact C-N 3.35Å; F264-E266 PolarHBondContact O-N 2.69Å; E266-R269 PolarHBondContact O-N 2.92Å; E266-S270 PolarHBondContact O-N 3.42Å |
| 267 | H | 97.2 | Very high | 97.1 | Very high | 50 Ų | 50 | 56.9 Ų | 56.9 | 23% | 0.231 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61 | -47.2 | 177.9 | -171.2 | 99.3 | 0 | 0 | 0 | 111.9 | E201 H263 F264 V265 R269 S270 T271 | E201-H267 IonicContact OE1-CE1 3.78Å; E201-H267 IonicContact OE1-ND1 3.57Å; H263-H267 PolarHBondContact O-N 2.9Å; F264-H267 WeakPolarHBondContact O-CB 3.36Å; F264-H267 PolarHBondContact O-N 3.27Å; V265-H267 VanDerWaalsContact C-N 3.33Å; V265-H267 PolarHBondContact O-N 2.84Å; H267-R269 PolarHBondContact O-N 3.16Å; H267-S270 PolarHBondContact O-N 3.33Å; H267-S270 PolarHBondContact O-OG 3.45Å; H267-T271 PolarHBondContact O-N 3.14Å; H267-T271 PolarHBondContact O-OG1 3.3Å |
| 268 | I | 98.1 | Very high | 97.2 | Very high | 17 Ų | 17 | 56.9 Ų | 56.9 | 9% | 0.087 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 177.6 | -69.9 | -63.3 | 0 | 0 | 0 | 111.6 | I249 L253 F264 V265 S270 T271 L272 | I249-I268 HydrophobicContact CG2-CB 4.24Å; I249-I268 HydrophobicContact CG2-CG2 3.82Å; L253-I268 HydrophobicContact CD1-CG2 3.78Å; F264-I268 HydrophobicContact CD1-CG1 4.16Å; F264-I268 HydrophobicContact CD2-CG1 4.44Å; F264-I268 HydrophobicContact CE1-CG1 3.65Å; F264-I268 HydrophobicContact CE2-CD1 4.24Å; F264-I268 HydrophobicContact CE2-CG1 3.96Å; F264-I268 HydrophobicContact CZ-CD1 3.97Å; F264-I268 HydrophobicContact CZ-CG1 3.52Å; F264-I268 WeakPolarHBondContact O-CG1 3.45Å; F264-I268 PolarHBondContact O-N 3.05Å; V265-I268 PolarHBondContact O-N 3.4Å; I268-S270 VanDerWaalsContact C-N 3.33Å; I268-S270 PolarHBondContact O-N 3.47Å; I268-T271 PolarHBondContact O-N 3.01Å; I268-L272 HydrophobicContact CG2-CD1 3.84Å; I268-L272 HydrophobicContact CG2-CG 4.21Å; I268-L272 WeakPolarHBondContact O-CB 3.34Å; I268-L272 WeakPolarHBondContact O-CG 3.22Å; I268-L272 PolarHBondContact O-N 2.95Å |
| 269 | R | 98.5 | Very high | 97.2 | Very high | 59 Ų | 59 | 53.9 Ų | 53.9 | 22% | 0.223 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.6 | -43 | 176.2 | -73.6 | -178.6 | -173.5 | -71.9 | -0.3 | 111.6 | L242 Q244 D246 I249 V265 E266 H267 T271 L272 M273 | L242-R269 PolarHBondContact O-NH1 2.86Å; L242-R269 VanDerWaalsContact O-NH1 3.1Å; Q244-R269 PolarHBondContact O-NH1 2.96Å; Q244-R269 VanDerWaalsContact O-NH1 3.09Å; Q244-R269 PolarHBondContact O-NH2 3.08Å; D246-R269 IonicContact OD1-CZ 3.65Å; D246-R269 IonicContact OD1-NE 3.38Å; D246-R269 PolarHBondContact OD1-NE 3.35Å; D246-R269 IonicContact OD1-NH2 2.78Å; D246-R269 PolarHBondContact OD1-NH2 2.95Å; I249-R269 HydrophobicContact CD1-CG 3.8Å; V265-R269 HydrophobicContact CG1-CG 4.33Å; V265-R269 WeakPolarHBondContact O-CB 3.27Å; V265-R269 VanDerWaalsContact O-CG 3.3Å; V265-R269 WeakPolarHBondContact O-CG 3.5Å; V265-R269 PolarHBondContact O-N 2.85Å; E266-R269 PolarHBondContact O-N 2.92Å; H267-R269 PolarHBondContact O-N 3.16Å; R269-T271 VanDerWaalsContact C-N 3.3Å; R269-T271 PolarHBondContact O-N 3.46Å; R269-L272 PolarHBondContact O-N 2.96Å; R269-M273 WeakPolarHBondContact O-CB 3.47Å; R269-M273 WeakPolarHBondContact O-CG 3.32Å; R269-M273 PolarHBondContact O-N 2.93Å |
| 270 | S | 98.3 | Very high | 97.2 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 30% | 0.301 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 176.3 | 84.4 | 0 | 0 | 0 | 0 | 111.9 | E266 H267 I268 M273 F274 | E266-S270 PolarHBondContact O-N 3.42Å; H267-S270 PolarHBondContact O-N 3.33Å; H267-S270 PolarHBondContact O-OG 3.45Å; I268-S270 VanDerWaalsContact C-N 3.33Å; I268-S270 PolarHBondContact O-N 3.47Å; S270-M273 PolarHBondContact O-N 2.88Å; S270-F274 PolarHBondContact O-N 3.44Å |
| 271 | T | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69 | -43.7 | 178.3 | -57.9 | 0 | 0 | 0 | 0 | 112 | A205 A206 L209 H267 I268 R269 M273 F274 L275 | A205-T271 HydrophobicContact CB-CG2 4.05Å; A206-T271 VanDerWaalsContact CA-CG2 3.49Å; A206-T271 HydrophobicContact CB-CG2 4.04Å; L209-T271 HydrophobicContact CB-CG2 4.07Å; L209-T271 HydrophobicContact CD2-CG2 3.67Å; H267-T271 PolarHBondContact O-N 3.14Å; H267-T271 PolarHBondContact O-OG1 3.3Å; I268-T271 PolarHBondContact O-N 3.01Å; R269-T271 VanDerWaalsContact C-N 3.3Å; R269-T271 PolarHBondContact O-N 3.46Å; T271-M273 VanDerWaalsContact C-N 3.33Å; T271-M273 PolarHBondContact O-N 3.38Å; T271-F274 WeakPolarHBondContact O-CB 3.46Å; T271-F274 PolarHBondContact O-N 3.16Å; T271-F274 VanDerWaalsContact O-N 3.14Å; T271-L275 PolarHBondContact O-N 2.68Å |
| 272 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 174.2 | -70.8 | 170.9 | 0 | 0 | 0 | 111.5 | L209 F235 V238 W241 L242 L253 I268 R269 F274 L275 K276 | L209-L272 HydrophobicContact CD2-CD2 3.99Å; L209-L272 HydrophobicContact CD2-CG 4.31Å; F235-L272 HydrophobicContact CD1-CD2 3.87Å; F235-L272 HydrophobicContact CE1-CD2 3.6Å; F235-L272 HydrophobicContact CZ-CD2 4.12Å; V238-L272 HydrophobicContact CG2-CB 4.16Å; V238-L272 HydrophobicContact CG2-CD2 4.18Å; V238-L272 VanDerWaalsContact CG2-O 3.26Å; V238-L272 WeakPolarHBondContact CG2-O 3.48Å; W241-L272 HydrophobicContact CB-CD1 3.85Å; L242-L272 HydrophobicContact CD2-CB 3.65Å; L242-L272 HydrophobicContact CD2-CD1 4.44Å; L242-L272 HydrophobicContact CG-CB 3.95Å; L253-L272 HydrophobicContact CD1-CD1 4.05Å; I268-L272 HydrophobicContact CG2-CD1 3.84Å; I268-L272 HydrophobicContact CG2-CG 4.21Å; I268-L272 WeakPolarHBondContact O-CB 3.34Å; I268-L272 WeakPolarHBondContact O-CG 3.22Å; I268-L272 PolarHBondContact O-N 2.95Å; R269-L272 PolarHBondContact O-N 2.96Å; L272-F274 VanDerWaalsContact C-N 3.3Å; L272-F274 PolarHBondContact O-N 2.93Å; L272-L275 PolarHBondContact O-N 2.86Å; L272-K276 WeakPolarHBondContact O-CB 3.25Å; L272-K276 PolarHBondContact O-N 3.48Å |
| 273 | M | 98.6 | Very high | 96.7 | Very high | 101 Ų | 101 | 55.9 Ų | 55.9 | 50% | 0.498 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 173.1 | -77.6 | -59.4 | -64 | 0 | 0 | 111.9 | L242 R269 S270 T271 K276 R277 | L242-M273 HydrophobicContact CD1-CG 4.39Å; L242-M273 HydrophobicContact CD1-SD 3.55Å; L242-M273 VanDerWaalsContact CD1-SD 3.55Å; L242-M273 HydrophobicContact CD2-CG 3.7Å; L242-M273 HydrophobicContact CD2-SD 3.78Å; L242-M273 HydrophobicContact CG-SD 4.29Å; R269-M273 WeakPolarHBondContact O-CB 3.47Å; R269-M273 WeakPolarHBondContact O-CG 3.32Å; R269-M273 PolarHBondContact O-N 2.93Å; S270-M273 PolarHBondContact O-N 2.88Å; T271-M273 VanDerWaalsContact C-N 3.33Å; T271-M273 PolarHBondContact O-N 3.38Å; M273-K276 PolarHBondContact O-N 2.87Å; M273-R277 WeakPolarHBondContact O-CB 3.07Å; M273-R277 PolarHBondContact O-N 3.49Å |
| 274 | F | 98.6 | Very high | 96.5 | Very high | 37 Ų | 37 | 57.6 Ų | 57.6 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 174.4 | -166.7 | -81.4 | 0 | 0 | 0 | 111.6 | Q202 L203 A206 W232 S270 T271 L272 K276 R277 F278 L285 | Q202-F274 HydrophobicContact CB-CB 4.38Å; Q202-F274 HydrophobicContact CB-CD2 3.77Å; Q202-F274 HydrophobicContact CB-CE2 4.36Å; Q202-F274 HydrophobicContact CB-CG 4.21Å; L203-F274 HydrophobicContact CB-CE1 4.17Å; L203-F274 HydrophobicContact CB-CE2 4.37Å; L203-F274 HydrophobicContact CB-CZ 3.76Å; L203-F274 HydrophobicContact CD1-CE1 3.91Å; L203-F274 HydrophobicContact CD1-CZ 4.02Å; L203-F274 HydrophobicContact CG-CZ 4.43Å; A206-F274 HydrophobicContact CB-CD1 3.66Å; A206-F274 HydrophobicContact CB-CE1 4.32Å; A206-F274 HydrophobicContact CB-CG 4.38Å; W232-F274 HydrophobicContact CH2-CD1 4.46Å; W232-F274 HydrophobicContact CH2-CE1 4.04Å; W232-F274 HydrophobicContact CZ2-CD1 4.4Å; W232-F274 HydrophobicContact CZ2-CE1 4.21Å; S270-F274 PolarHBondContact O-N 3.44Å; T271-F274 WeakPolarHBondContact O-CB 3.46Å; T271-F274 PolarHBondContact O-N 3.16Å; T271-F274 VanDerWaalsContact O-N 3.14Å; L272-F274 VanDerWaalsContact C-N 3.3Å; L272-F274 PolarHBondContact O-N 2.93Å; F274-K276 VanDerWaalsContact C-N 3.34Å; F274-K276 PolarHBondContact O-N 3.15Å; F274-R277 PolarHBondContact O-N 2.9Å; F274-R277 VanDerWaalsContact O-N 3.15Å; F274-F278 AromaticContact CD1-CD2 3.9Å; F274-F278 HydrophobicContact CD1-CD2 3.9Å; F274-F278 HydrophobicContact CD2-CD2 4.11Å; F274-F278 HydrophobicContact CD2-CE2 4.2Å; F274-F278 HydrophobicContact CE1-CB 4.26Å; F274-F278 AromaticContact CE1-CD2 3.6Å; F274-F278 HydrophobicContact CE1-CD2 3.6Å; F274-F278 HydrophobicContact CE1-CE2 4.35Å; F274-F278 HydrophobicContact CE1-CG 4.28Å; F274-F278 AromaticContact CE2-CD2 3.84Å; F274-F278 HydrophobicContact CE2-CD2 3.84Å; F274-F278 AromaticContact CE2-CE2 3.78Å; F274-F278 HydrophobicContact CE2-CE2 3.78Å; F274-F278 HydrophobicContact CG-CD2 4.14Å; F274-F278 AromaticContact CZ-CD2 3.57Å; F274-F278 HydrophobicContact CZ-CD2 3.57Å; F274-F278 AromaticContact CZ-CE2 3.86Å; F274-F278 HydrophobicContact CZ-CE2 3.86Å; F274-F278 HydrophobicContact CZ-CG 4.46Å; F274-F278 PolarHBondContact O-N 3.17Å; F274-L285 HydrophobicContact CE1-CD1 3.91Å; F274-L285 HydrophobicContact CZ-CD1 3.68Å |
| 275 | L | 98.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 177.1 | -73.6 | 167.7 | 0 | 0 | 0 | 112.7 | A206 L209 A210 W232 F235 T271 L272 F278 P279 | A206-L275 HydrophobicContact CB-CD2 3.8Å; A206-L275 HydrophobicContact CB-CG 3.85Å; L209-L275 HydrophobicContact CB-CD1 4.32Å; L209-L275 HydrophobicContact CD2-CD1 3.88Å; L209-L275 HydrophobicContact CG-CD1 4.16Å; A210-L275 HydrophobicContact CB-CD2 4.04Å; W232-L275 HydrophobicContact CD2-CD2 4.26Å; W232-L275 HydrophobicContact CZ2-CD2 3.89Å; F235-L275 HydrophobicContact CB-CB 4.12Å; F235-L275 HydrophobicContact CB-CD1 4.04Å; F235-L275 HydrophobicContact CB-CG 4.49Å; F235-L275 HydrophobicContact CD2-CD1 3.76Å; F235-L275 HydrophobicContact CE2-CD1 4.41Å; F235-L275 HydrophobicContact CG-CD1 3.94Å; T271-L275 PolarHBondContact O-N 2.68Å; L272-L275 PolarHBondContact O-N 2.86Å; L275-F278 CarbonylContact O-C 3.48Å; L275-F278 VanDerWaalsContact O-C 3.31Å; L275-F278 PolarHBondContact O-N 2.98Å; L275-P279 WeakPolarHBondContact O-CA 3.2Å |
| 276 | K | 98.1 | Very high | 96.2 | Very high | 97 Ų | 97 | 57.1 Ų | 57.1 | 42% | 0.422 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 173.4 | 176.4 | 175 | 172.5 | 171.1 | 0 | 111.7 | V238 D239 L242 L272 M273 F274 | V238-K276 HydrophobicContact CG1-CB 4Å; V238-K276 HydrophobicContact CG1-CG 4.31Å; V238-K276 HydrophobicContact CG2-CB 3.91Å; D239-K276 WeakPolarHBondContact OD1-CD 3.26Å; D239-K276 WeakPolarHBondContact OD1-CE 3.44Å; D239-K276 IonicContact OD1-NZ 3.28Å; D239-K276 PolarHBondContact OD1-NZ 3.23Å; L242-K276 HydrophobicContact CD1-CB 4.34Å; L242-K276 HydrophobicContact CD1-CD 3.72Å; L272-K276 WeakPolarHBondContact O-CB 3.25Å; L272-K276 PolarHBondContact O-N 3.48Å; M273-K276 PolarHBondContact O-N 2.87Å; F274-K276 VanDerWaalsContact C-N 3.34Å; F274-K276 PolarHBondContact O-N 3.15Å |
| 277 | R | 98 | Very high | 95.7 | Very high | 193 Ų | 193 | 54.4 Ų | 54.4 | 73% | 0.728 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -71.4 | -35.1 | 179.7 | -175.1 | 175.3 | 177 | 178.4 | -0.7 | 112.5 | M273 F274 P279 | M273-R277 WeakPolarHBondContact O-CB 3.07Å; M273-R277 PolarHBondContact O-N 3.49Å; F274-R277 PolarHBondContact O-N 2.9Å; F274-R277 VanDerWaalsContact O-N 3.15Å; R277-P279 VanDerWaalsContact C-CD 3.48Å; R277-P279 WeakPolarHBondContact O-CD 3.41Å |
| 278 | F | 97.8 | Very high | 95.3 | Very high | 29 Ų | 29 | 55.5 Ų | 55.5 | 13% | 0.127 | 30% | 0.303 | C | S | . | . | trans | -125.2 | 71 | -176.6 | -57.1 | -71.1 | 0 | 0 | 0 | 111.4 | W232 F274 L275 S280 I284 L285 | W232-F278 WeakPolarHBondContact CZ2-O 3.26Å; W232-F278 PolarHBondContact NE1-O 3.28Å; F274-F278 AromaticContact CD1-CD2 3.9Å; F274-F278 HydrophobicContact CD1-CD2 3.9Å; F274-F278 HydrophobicContact CD2-CD2 4.11Å; F274-F278 HydrophobicContact CD2-CE2 4.2Å; F274-F278 HydrophobicContact CE1-CB 4.26Å; F274-F278 AromaticContact CE1-CD2 3.6Å; F274-F278 HydrophobicContact CE1-CD2 3.6Å; F274-F278 HydrophobicContact CE1-CE2 4.35Å; F274-F278 HydrophobicContact CE1-CG 4.28Å; F274-F278 AromaticContact CE2-CD2 3.84Å; F274-F278 HydrophobicContact CE2-CD2 3.84Å; F274-F278 AromaticContact CE2-CE2 3.78Å; F274-F278 HydrophobicContact CE2-CE2 3.78Å; F274-F278 HydrophobicContact CG-CD2 4.14Å; F274-F278 AromaticContact CZ-CD2 3.57Å; F274-F278 HydrophobicContact CZ-CD2 3.57Å; F274-F278 AromaticContact CZ-CE2 3.86Å; F274-F278 HydrophobicContact CZ-CE2 3.86Å; F274-F278 HydrophobicContact CZ-CG 4.46Å; F274-F278 PolarHBondContact O-N 3.17Å; L275-F278 CarbonylContact O-C 3.48Å; L275-F278 VanDerWaalsContact O-C 3.31Å; L275-F278 PolarHBondContact O-N 2.98Å; F278-S280 PolarHBondContact O-N 3.44Å; F278-I284 HydrophobicContact CD1-CG2 4.1Å; F278-I284 HydrophobicContact CE1-CG2 4.08Å; F278-L285 HydrophobicContact CB-CD1 4.37Å; F278-L285 HydrophobicContact CD1-CD1 4.36Å; F278-L285 HydrophobicContact CD1-CD2 3.94Å; F278-L285 HydrophobicContact CD1-CG 4.2Å; F278-L285 HydrophobicContact CD2-CD1 4.33Å; F278-L285 HydrophobicContact CE1-CD2 3.69Å; F278-L285 HydrophobicContact CE1-CG 4.45Å; F278-L285 HydrophobicContact CE2-CD2 4.4Å; F278-L285 HydrophobicContact CG-CD1 4.11Å; F278-L285 HydrophobicContact CG-CD2 4.41Å; F278-L285 HydrophobicContact CG-CG 4.45Å; F278-L285 HydrophobicContact CZ-CD2 3.93Å | ||
| 279 | P | 96.4 | Very high | 95 | Very high | 55 Ų | 55 | 60 Ų | 60 | 36% | 0.357 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -70.3 | -16.1 | -176.8 | 29 | -36.4 | 0 | 0 | 0 | 113.6 | T233 P234 L275 R277 | T233-P279 CarbonylContact C-O 3.55Å; P234-P279 HydrophobicContact CB-CB 4Å; P234-P279 HydrophobicContact CG-CB 4.06Å; L275-P279 WeakPolarHBondContact O-CA 3.2Å; R277-P279 VanDerWaalsContact C-CD 3.48Å; R277-P279 WeakPolarHBondContact O-CD 3.41Å |
| 280 | S | 94.9 | Very high | 94.7 | Very high | 62 Ų | 62 | 63.2 Ų | 63.2 | 43% | 0.434 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -146.2 | 92.4 | 173.1 | -172.3 | 0 | 0 | 0 | 0 | 109.2 | F278 | F278-S280 PolarHBondContact O-N 3.44Š|
| 281 | P | 94.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -81.8 | -22.3 | -165.2 | 32.8 | -39.6 | 0 | 0 | 0 | 113.8 | W232 N283 I284 L285 | W232-P281 HydrophobicContact CD2-CG 3.6Å; W232-P281 VanDerWaalsContact CE2-CD 3.46Å; W232-P281 VanDerWaalsContact CE2-CG 3.47Å; W232-P281 HydrophobicContact CE3-CG 3.75Å; W232-P281 HydrophobicContact CG-CG 4.29Å; W232-P281 HydrophobicContact CH2-CB 4.02Å; W232-P281 HydrophobicContact CH2-CG 3.73Å; W232-P281 HydrophobicContact CZ2-CB 3.85Å; W232-P281 HydrophobicContact CZ2-CG 3.55Å; W232-P281 HydrophobicContact CZ3-CG 3.81Å; P281-N283 VanDerWaalsContact C-N 3.34Å; P281-N283 PolarHBondContact O-N 2.88Å; P281-N283 VanDerWaalsContact O-N 3.17Å; P281-I284 PolarHBondContact O-N 3.29Å; P281-L285 HydrophobicContact CB-CB 4.43Å; P281-L285 HydrophobicContact CB-CD1 3.74Å; P281-L285 HydrophobicContact CB-CG 4.12Å; P281-L285 PolarHBondContact O-N 2.81Å | ||
| 282 | A | 91.1 | Very high | 94.5 | Very high | 16 Ų | 16 | 63.2 Ų | 63.2 | 13% | 0.132 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -51.5 | -48.2 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y230 F286 | Y230-A282 WeakPolarHBondContact O-CA 3.44Å; A282-F286 WeakPolarHBondContact O-CB 3.49Å; A282-F286 PolarHBondContact O-N 3.12Å |
| 283 | N | 86.6 | Confident | 94.5 | Very high | 144 Ų | 144 | 65.3 Ų | 65.3 | 77% | 0.77 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -89.3 | -12 | -177.9 | -64 | -33.6 | 0 | 0 | 0 | 113.9 | P281 | P281-N283 VanDerWaalsContact C-N 3.34Å; P281-N283 PolarHBondContact O-N 2.88Å; P281-N283 VanDerWaalsContact O-N 3.17Å |
| 284 | I | 91.9 | Very high | 94.5 | Very high | 105 Ų | 105 | 61.5 Ų | 61.5 | 54% | 0.538 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -96 | -49.1 | -175.1 | -58.7 | 175.7 | 0 | 0 | 0 | 110.3 | F278 P281 | F278-I284 HydrophobicContact CD1-CG2 4.1Å; F278-I284 HydrophobicContact CE1-CG2 4.08Å; P281-I284 PolarHBondContact O-N 3.29Å |
| 285 | L | 94.4 | Very high | 94.4 | Very high | 37 Ų | 37 | 63.4 Ų | 63.4 | 19% | 0.194 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -91.9 | -19.9 | -175.3 | -60.3 | -175.9 | 0 | 0 | 0 | 112.7 | L203 F274 F278 P281 P287 | L203-L285 HydrophobicContact CD1-CD1 3.76Å; F274-L285 HydrophobicContact CE1-CD1 3.91Å; F274-L285 HydrophobicContact CZ-CD1 3.68Å; F278-L285 HydrophobicContact CB-CD1 4.37Å; F278-L285 HydrophobicContact CD1-CD1 4.36Å; F278-L285 HydrophobicContact CD1-CD2 3.94Å; F278-L285 HydrophobicContact CD1-CG 4.2Å; F278-L285 HydrophobicContact CD2-CD1 4.33Å; F278-L285 HydrophobicContact CE1-CD2 3.69Å; F278-L285 HydrophobicContact CE1-CG 4.45Å; F278-L285 HydrophobicContact CE2-CD2 4.4Å; F278-L285 HydrophobicContact CG-CD1 4.11Å; F278-L285 HydrophobicContact CG-CD2 4.41Å; F278-L285 HydrophobicContact CG-CG 4.45Å; F278-L285 HydrophobicContact CZ-CD2 3.93Å; P281-L285 HydrophobicContact CB-CB 4.43Å; P281-L285 HydrophobicContact CB-CD1 3.74Å; P281-L285 HydrophobicContact CB-CG 4.12Å; P281-L285 PolarHBondContact O-N 2.81Å; L285-P287 WeakPolarHBondContact O-CD 3.43Å |
| 286 | F | 93.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -126 | 71.7 | -178.5 | -50.1 | -79.5 | 0 | 0 | 0 | 111.9 | L203 I227 P229 Y230 A282 G288 N289 K290 L292 | L203-F286 HydrophobicContact CD1-CE2 4.46Å; L203-F286 HydrophobicContact CD1-CZ 4.17Å; L203-F286 HydrophobicContact CD2-CE1 4.29Å; L203-F286 HydrophobicContact CD2-CZ 3.82Å; L203-F286 HydrophobicContact CG-CZ 4.43Å; I227-F286 WeakPolarHBondContact O-CE1 3.36Å; P229-F286 HydrophobicContact CB-CB 3.86Å; P229-F286 HydrophobicContact CB-CD1 4.27Å; P229-F286 HydrophobicContact CB-CD2 4.17Å; P229-F286 HydrophobicContact CB-CG 3.84Å; Y230-F286 HydrophobicContact CD2-CE2 4.44Å; Y230-F286 AromaticContact CD2-CZ 3.86Å; Y230-F286 HydrophobicContact CD2-CZ 3.86Å; Y230-F286 HydrophobicContact CG-CE2 4.43Å; Y230-F286 HydrophobicContact CG-CZ 4.15Å; A282-F286 WeakPolarHBondContact O-CB 3.49Å; A282-F286 PolarHBondContact O-N 3.12Å; F286-G288 PolarHBondContact O-N 3.34Å; F286-N289 WeakPolarHBondContact O-CA 2.78Å; F286-N289 PolarHBondContact O-N 3.24Å; F286-K290 WeakPolarHBondContact CB-O 3.43Å; F286-L292 HydrophobicContact CD1-CD2 4.38Å; F286-L292 HydrophobicContact CD1-CG 3.98Å; F286-L292 HydrophobicContact CE1-CD1 4.07Å; F286-L292 HydrophobicContact CE1-CG 3.84Å |
| 287 | P | 87.9 | Confident | 94.4 | Very high | 93 Ų | 93 | 62.1 Ų | 62.1 | 60% | 0.604 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -53.4 | 129.1 | 177.7 | -25.2 | 34.3 | 0 | 0 | 0 | 112.2 | L285 N289 | L285-P287 WeakPolarHBondContact O-CD 3.43Å; P287-N289 PolarHBondContact O-N 2.81Å |
| 288 | G | 88.9 | Confident | 94.4 | Very high | 74 Ų | 74 | 62.6 Ų | 62.6 | 76% | 0.763 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | 68.9 | 20.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F286 K290 | F286-G288 PolarHBondContact O-N 3.34Å; G288-K290 PolarHBondContact O-N 3.19Å |
| 289 | N | 91.3 | Very high | 94.3 | Very high | 110 Ų | 110 | 66.7 Ų | 66.7 | 59% | 0.588 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | 56.4 | 35.2 | -178.4 | -163.1 | 46.3 | 0 | 0 | 0 | 112.7 | P229 F286 P287 | P229-N289 VanDerWaalsContact CB-OD1 3.29Å; P229-N289 WeakPolarHBondContact CB-OD1 3.23Å; P229-N289 WeakPolarHBondContact CG-OD1 3.23Å; F286-N289 WeakPolarHBondContact O-CA 2.78Å; F286-N289 PolarHBondContact O-N 3.24Å; P287-N289 PolarHBondContact O-N 2.81Å |
| 290 | K | 92.9 | Very high | 94.4 | Very high | 127 Ų | 127 | 64.8 Ų | 64.8 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -99.6 | 139.4 | 179.4 | -66.8 | -176 | 179.2 | -178 | 0 | 110.5 | F286 G288 | F286-K290 WeakPolarHBondContact CB-O 3.43Å; G288-K290 PolarHBondContact O-N 3.19Å |
| 291 | A | 95.3 | Very high | 94.5 | Very high | 23 Ų | 23 | 65 Ų | 65 | 19% | 0.19 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 149.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | I227 G228 L293 | I227-A291 CarbonylContact O-C 3.55Å; I227-A291 WeakPolarHBondContact O-CA 3.36Å; G228-A291 WeakPolarHBondContact O-CB 3.43Å; A291-L293 HydrophobicContact CB-CD2 4.13Å |
| 292 | L | 96.7 | Very high | 94.7 | Very high | 23 Ų | 23 | 67 Ų | 67 | 12% | 0.12 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 124.9 | 165.1 | -51.7 | 178.4 | 0 | 0 | 0 | 107.7 | E200 L203 I227 F286 Y294 | E200-L292 HydrophobicContact CG-CD1 4.18Å; E200-L292 WeakPolarHBondContact OE1-CD1 3.46Å; L203-L292 HydrophobicContact CD2-CD1 4.09Å; I227-L292 HydrophobicContact CB-CB 4.31Å; I227-L292 PolarHBondContact N-O 3.13Å; I227-L292 PolarHBondContact O-N 3.37Å; F286-L292 HydrophobicContact CD1-CD2 4.38Å; F286-L292 HydrophobicContact CD1-CG 3.98Å; F286-L292 HydrophobicContact CE1-CD1 4.07Å; F286-L292 HydrophobicContact CE1-CG 3.84Å; L292-Y294 HydrophobicContact CB-CE2 3.9Å |
| 293 | L | 97.6 | Very high | 95 | Very high | 44 Ų | 44 | 72.1 Ų | 72.1 | 23% | 0.23 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 134.8 | -175.3 | -56.3 | 179 | 0 | 0 | 0 | 109.8 | L225 R226 A291 I305 | L225-L293 WeakPolarHBondContact O-CA 3.27Å; R226-L293 HydrophobicContact CB-CD2 4.33Å; R226-L293 HydrophobicContact CG-CD2 3.83Å; A291-L293 HydrophobicContact CB-CD2 4.13Å; L293-I305 HydrophobicContact CB-CB 4.25Å; L293-I305 HydrophobicContact CB-CD1 4.15Å; L293-I305 PolarHBondContact O-N 3.12Å |
| 294 | Y | 98.5 | Very high | 95.5 | Very high | 20 Ų | 20 | 70.4 Ų | 70.4 | 8% | 0.078 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 145.4 | 178.2 | -69.7 | -95.2 | 0 | 0 | 0 | 110.4 | P199 E200 Q224 L225 L292 E303 K304 | P199-Y294 HydrophobicContact CB-CD1 3.93Å; P199-Y294 HydrophobicContact CB-CE1 3.68Å; P199-Y294 HydrophobicContact CB-CE2 4.29Å; P199-Y294 HydrophobicContact CB-CG 4.36Å; P199-Y294 HydrophobicContact CG-CD1 3.67Å; P199-Y294 HydrophobicContact CG-CD2 3.87Å; P199-Y294 HydrophobicContact CG-CE1 3.93Å; P199-Y294 HydrophobicContact CG-CE2 4.11Å; P199-Y294 HydrophobicContact CG-CG 3.67Å; E200-Y294 HydrophobicContact CG-CE2 3.74Å; E200-Y294 PolarHBondContact OE1-OH 3.21Å; Q224-Y294 WeakPolarHBondContact CA-O 3.39Å; L225-Y294 PolarHBondContact N-O 2.88Å; L225-Y294 PolarHBondContact O-N 3.4Å; L292-Y294 HydrophobicContact CB-CE2 3.9Å; Y294-E303 CarbonylContact C-O 3.56Å; Y294-E303 VanDerWaalsContact CA-O 3.25Å; Y294-E303 WeakPolarHBondContact CA-O 3.48Å; Y294-K304 VanDerWaalsContact CD1-CA 3.48Å; Y294-K304 HydrophobicContact CD1-CB 3.91Å; Y294-K304 HydrophobicContact CD1-CG 4.38Å; Y294-K304 HydrophobicContact CE1-CB 3.45Å; Y294-K304 VanDerWaalsContact CE1-CB 3.45Å; Y294-K304 HydrophobicContact CE1-CD 4.3Å; Y294-K304 HydrophobicContact CE1-CG 3.82Å; Y294-K304 HydrophobicContact CE2-CG 4.37Å; Y294-K304 WeakPolarHBondContact OH-CD 3.36Å |
| 295 | K | 98.4 | Very high | 95.6 | Very high | 77 Ų | 77 | 68 Ų | 68 | 34% | 0.335 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 157.1 | 174.7 | -102.4 | 176.4 | -170.1 | -131.2 | 0 | 110.6 | T222 E223 Q224 E303 I305 | T222-K295 WeakPolarHBondContact O-CE 3.38Å; T222-K295 PolarHBondContact O-NZ 2.94Å; E223-K295 WeakPolarHBondContact O-CG 3.47Å; Q224-K295 HydrophobicContact CG-CD 4.3Å; Q224-K295 HydrophobicContact CG-CG 4.08Å; K295-E303 PolarHBondContact N-O 3.46Å; K295-E303 PolarHBondContact O-N 2.99Å; K295-I305 HydrophobicContact CB-CD1 3.74Å; K295-I305 HydrophobicContact CB-CG1 4.02Å; K295-I305 HydrophobicContact CD-CD1 3.59Å; K295-I305 HydrophobicContact CD-CG1 4.48Å; K295-I305 HydrophobicContact CG-CD1 3.55Å; K295-I305 HydrophobicContact CG-CG1 4.38Å |
| 296 | K | 98.2 | Very high | 94.9 | Very high | 22 Ų | 22 | 71 Ų | 71 | 10% | 0.096 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 135.2 | 168.3 | -67.4 | -59.1 | -156.8 | 169.6 | 0 | 109.8 | P43 L46 I64 G300 L301 W302 | P43-K296 PolarHBondContact O-NZ 2.91Å; L46-K296 WeakPolarHBondContact O-CE 3.42Å; L46-K296 PolarHBondContact O-NZ 2.91Å; I64-K296 HydrophobicContact CD1-CD 4.44Å; I64-K296 HydrophobicContact CD1-CG 3.94Å; K296-G300 VanDerWaalsContact CD-O 3.28Å; K296-G300 WeakPolarHBondContact CD-O 3.38Å; K296-G300 VanDerWaalsContact CE-O 3.3Å; K296-G300 WeakPolarHBondContact CE-O 3.07Å; K296-G300 PolarHBondContact NZ-O 3.48Å; K296-L301 CarbonylContact C-O 3.53Å; K296-L301 VanDerWaalsContact CA-O 3.27Å; K296-L301 WeakPolarHBondContact CA-O 3.42Å; K296-W302 HydrophobicContact CD-CD2 3.68Å; K296-W302 HydrophobicContact CD-CE3 3.87Å; K296-W302 HydrophobicContact CD-CG 4.11Å; K296-W302 HydrophobicContact CD-CH2 4.34Å; K296-W302 HydrophobicContact CD-CZ2 4.17Å; K296-W302 HydrophobicContact CD-CZ3 4.2Å; K296-W302 VanDerWaalsContact CE-CE2 3.41Å; K296-W302 HydrophobicContact CG-CD2 4.48Å; K296-W302 HydrophobicContact CG-CE3 4.22Å; K296-W302 HydrophobicContact CG-CH2 4.24Å; K296-W302 HydrophobicContact CG-CZ2 4.48Å; K296-W302 HydrophobicContact CG-CZ3 4.1Å |
| 297 | N | 97.6 | Very high | 93.4 | Very high | 51 Ų | 51 | 75.2 Ų | 75.2 | 27% | 0.273 | 41% | 0.412 | S | S | . | . | trans | -83.3 | -178 | 169.1 | 72.9 | -1.6 | 0 | 0 | 0 | 110.7 | D299 G300 L301 | N297-D299 PolarHBondContact O-N 3.06Å; N297-D299 WeakPolarHBondContact OD1-CA 3.5Å; N297-D299 PolarHBondContact OD1-N 3.41Å; N297-D299 VanDerWaalsContact OD1-N 3.09Å; N297-G300 PolarHBondContact O-N 3.07Å; N297-G300 PolarHBondContact OD1-N 3.43Å; N297-G300 VanDerWaalsContact OD1-N 3.14Å; N297-L301 PolarHBondContact N-O 2.64Å; N297-L301 PolarHBondContact OD1-N 3.22Å; N297-L301 PolarHBondContact OD1-O 3.31Å | ||
| 298 | E | 96.9 | Very high | 91.9 | Very high | 202 Ų | 202 | 74.1 Ų | 74.1 | 94% | 0.944 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.8 | -179.9 | -63 | -175.6 | 173 | 0 | 0 | 113.5 | G300 | E298-G300 VanDerWaalsContact C-N 3.26Å; E298-G300 PolarHBondContact O-N 2.68Å |
| 299 | D | 97.1 | Very high | 89.3 | Confident | 115 Ų | 115 | 82.3 Ų | 82.3 | 62% | 0.615 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 0.4 | 175.8 | -59.9 | -49.1 | 0 | 0 | 0 | 113 | N297 L301 | N297-D299 PolarHBondContact O-N 3.06Å; N297-D299 WeakPolarHBondContact OD1-CA 3.5Å; N297-D299 PolarHBondContact OD1-N 3.41Å; N297-D299 VanDerWaalsContact OD1-N 3.09Å; D299-L301 VanDerWaalsContact C-N 3.35Å; D299-L301 HydrophobicContact CB-CG 4.29Å |
| 300 | G | 97.2 | Very high | 89.2 | Confident | 15 Ų | 15 | 80.9 Ų | 80.9 | 16% | 0.155 | 44% | 0.437 | C | S | . | . | S | Bend | trans | 74.5 | 20.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P43 Q44 G45 K296 N297 E298 | P43-G300 VanDerWaalsContact O-O 3.12Å; Q44-G300 WeakPolarHBondContact CA-O 3.31Å; G45-G300 PolarHBondContact N-O 3.21Å; K296-G300 VanDerWaalsContact CD-O 3.28Å; K296-G300 WeakPolarHBondContact CD-O 3.38Å; K296-G300 VanDerWaalsContact CE-O 3.3Å; K296-G300 WeakPolarHBondContact CE-O 3.07Å; K296-G300 PolarHBondContact NZ-O 3.48Å; N297-G300 PolarHBondContact O-N 3.07Å; N297-G300 PolarHBondContact OD1-N 3.43Å; N297-G300 VanDerWaalsContact OD1-N 3.14Å; E298-G300 VanDerWaalsContact C-N 3.26Å; E298-G300 PolarHBondContact O-N 2.68Å |
| 301 | L | 98.3 | Very high | 89 | Confident | 68 Ų | 68 | 78.5 Ų | 78.5 | 36% | 0.356 | 43% | 0.431 | S | S | . | . | trans | -100.6 | 153.1 | 176.7 | -55.4 | -178.2 | 0 | 0 | 0 | 111.5 | P43 K296 N297 D299 | P43-L301 HydrophobicContact CB-CD2 3.72Å; P43-L301 HydrophobicContact CG-CD2 3.59Å; K296-L301 CarbonylContact C-O 3.53Å; K296-L301 VanDerWaalsContact CA-O 3.27Å; K296-L301 WeakPolarHBondContact CA-O 3.42Å; N297-L301 PolarHBondContact N-O 2.64Å; N297-L301 PolarHBondContact OD1-N 3.22Å; N297-L301 PolarHBondContact OD1-O 3.31Å; D299-L301 VanDerWaalsContact C-N 3.35Å; D299-L301 HydrophobicContact CB-CG 4.29Å | ||
| 302 | W | 98.4 | Very high | 88.6 | Confident | 42 Ų | 42 | 81.6 Ų | 81.6 | 16% | 0.159 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 126.4 | 178.7 | -71.2 | 115.3 | 0 | 0 | 0 | 112.1 | L46 L47 I64 P199 Y218 L225 K296 | L46-W302 PolarHBondContact O-NE1 3.19Å; L47-W302 HydrophobicContact CB-CZ2 4.14Å; L47-W302 HydrophobicContact CD1-CZ2 3.81Å; L47-W302 HydrophobicContact CG-CZ2 4.47Å; I64-W302 HydrophobicContact CD1-CH2 3.7Å; I64-W302 HydrophobicContact CD1-CZ2 3.6Å; P199-W302 VanDerWaalsContact CD-CD1 3.48Å; P199-W302 HydrophobicContact CG-CB 4.12Å; P199-W302 HydrophobicContact CG-CG 4.26Å; Y218-W302 HydrophobicContact CD2-CH2 4.14Å; Y218-W302 AromaticContact CE2-CH2 3.78Å; Y218-W302 HydrophobicContact CE2-CH2 3.78Å; Y218-W302 HydrophobicContact CE2-CZ3 4.5Å; L225-W302 HydrophobicContact CB-CE3 4.22Å; L225-W302 HydrophobicContact CB-CH2 3.75Å; L225-W302 HydrophobicContact CB-CZ2 4.29Å; L225-W302 HydrophobicContact CB-CZ3 3.71Å; L225-W302 HydrophobicContact CD2-CD2 4.35Å; L225-W302 HydrophobicContact CD2-CZ2 4.47Å; K296-W302 HydrophobicContact CD-CD2 3.68Å; K296-W302 HydrophobicContact CD-CE3 3.87Å; K296-W302 HydrophobicContact CD-CG 4.11Å; K296-W302 HydrophobicContact CD-CH2 4.34Å; K296-W302 HydrophobicContact CD-CZ2 4.17Å; K296-W302 HydrophobicContact CD-CZ3 4.2Å; K296-W302 VanDerWaalsContact CE-CE2 3.41Å; K296-W302 HydrophobicContact CG-CD2 4.48Å; K296-W302 HydrophobicContact CG-CE3 4.22Å; K296-W302 HydrophobicContact CG-CH2 4.24Å; K296-W302 HydrophobicContact CG-CZ2 4.48Å; K296-W302 HydrophobicContact CG-CZ3 4.1Å |
| 303 | E | 98.1 | Very high | 88.1 | Confident | 122 Ų | 122 | 85 Ų | 85 | 57% | 0.57 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 136.9 | 174.7 | -174.9 | 174.3 | -148.7 | 0 | 0 | 110.5 | Y294 K295 | Y294-E303 CarbonylContact C-O 3.56Å; Y294-E303 VanDerWaalsContact CA-O 3.25Å; Y294-E303 WeakPolarHBondContact CA-O 3.48Å; K295-E303 PolarHBondContact N-O 3.46Å; K295-E303 PolarHBondContact O-N 2.99Å |
| 304 | K | 96.9 | Very high | 87.5 | Confident | 109 Ų | 109 | 87.6 Ų | 87.6 | 47% | 0.474 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 129.4 | 179.1 | -165.3 | 172.2 | -168.5 | 155.1 | 0 | 110.2 | E200 Y294 | E200-K304 IonicContact OE1-NZ 3.94Å; Y294-K304 VanDerWaalsContact CD1-CA 3.48Å; Y294-K304 HydrophobicContact CD1-CB 3.91Å; Y294-K304 HydrophobicContact CD1-CG 4.38Å; Y294-K304 HydrophobicContact CE1-CB 3.45Å; Y294-K304 VanDerWaalsContact CE1-CB 3.45Å; Y294-K304 HydrophobicContact CE1-CD 4.3Å; Y294-K304 HydrophobicContact CE1-CG 3.82Å; Y294-K304 HydrophobicContact CE2-CG 4.37Å; Y294-K304 WeakPolarHBondContact OH-CD 3.36Å |
| 305 | I | 94.1 | Very high | 86.8 | Confident | 54 Ų | 54 | 92.1 Ų | 92.1 | 28% | 0.277 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 126.6 | 176.1 | -43.4 | 168.5 | 0 | 0 | 0 | 108 | Q224 L293 K295 | Q224-I305 HydrophobicContact CG-CD1 4.15Å; L293-I305 HydrophobicContact CB-CB 4.25Å; L293-I305 HydrophobicContact CB-CD1 4.15Å; L293-I305 PolarHBondContact O-N 3.12Å; K295-I305 HydrophobicContact CB-CD1 3.74Å; K295-I305 HydrophobicContact CB-CG1 4.02Å; K295-I305 HydrophobicContact CD-CD1 3.59Å; K295-I305 HydrophobicContact CD-CG1 4.48Å; K295-I305 HydrophobicContact CG-CD1 3.55Å; K295-I305 HydrophobicContact CG-CG1 4.38Å |
| 306 | S | 78.1 | Confident | 86 | Confident | 101 Ų | 101 | 93.1 Ų | 93.1 | 71% | 0.706 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 137.2 | 169.3 | -58.5 | 0 | 0 | 0 | 0 | 109.6 | G308 | S306-G308 PolarHBondContact O-N 3.34Š|
| 307 | P | 62.7 | Low | 85.1 | Confident | 88 Ų | 88 | 98.6 Ų | 98.6 | 57% | 0.571 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 118.6 | 168.6 | 23.6 | -29.8 | 0 | 0 | 0 | 107.4 | N309 | P307-N309 PolarHBondContact O-N 3.15Š|
| 308 | G | 56.6 | Low | 84 | Confident | 70 Ų | 70 | 102.6 Ų | 102.6 | 72% | 0.722 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 135.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | S306 | S306-G308 PolarHBondContact O-N 3.34Š|
| 309 | N | 33.7 | Very low | 82.8 | Confident | 245 Ų | 245 | 93.5 Ų | 93.5 | 100% | 1.31 | 54% | 0.538 | S | S | * | . | trans | -58.4 | 0 | 170.9 | -81.5 | -18.7 | 0 | 0 | 0 | 111.2 | P307 | P307-N309 PolarHBondContact O-N 3.15Š|
Retrieved 309 of 309 residues in 220.1 ms
(Link to these results)