| 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 | 67.5 | Low | 90.4 | Very high | 199 Ų | 199 | 34.1 Ų | 34.1 | 98% | 0.98 | 18% | 0.18 | S | C | * | . | 0 | 141.2 | 0 | -74.5 | -83.3 | -84.8 | 0 | 0 | 107.6 | |||||
| 2 | A | 79.5 | Confident | 90.6 | Very high | 15 Ų | 15 | 31.5 Ų | 31.5 | 12% | 0.124 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -79.3 | 132.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | G96 R192 Q195 | A2-G96 VanDerWaalsContact O-CA 3.25Å; A2-G96 WeakPolarHBondContact O-CA 3.1Å; A2-R192 HydrophobicContact CB-CG 3.54Å; A2-Q195 HydrophobicContact CB-CB 4.1Å |
| 3 | Q | 86.3 | Confident | 90.2 | Very high | 115 Ų | 115 | 32 Ų | 32 | 54% | 0.537 | 17% | 0.174 | S | C | . | . | P | Polyproline II helix | trans | -62 | 146.9 | -179.8 | -165.6 | 176.3 | 11.1 | 0 | 0 | 111.2 | L93 | Q3-L93 HydrophobicContact CG-CB 4.27Å; Q3-L93 WeakPolarHBondContact CG-O 3.33Å |
| 4 | G | 90.7 | Very high | 90 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 9% | 0.093 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 163.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L93 V97 D98 | G4-L93 PolarHBondContact N-O 2.71Å; G4-V97 WeakPolarHBondContact CA-O 3.47Å; G4-D98 WeakPolarHBondContact CA-OD1 3.38Å |
| 5 | T | 93.6 | Very high | 90.2 | Very high | 21 Ų | 21 | 28.1 Ų | 28.1 | 13% | 0.129 | 16% | 0.155 | C | C | . | . | trans | -105.8 | 132.2 | 175.5 | -57.5 | 0 | 0 | 0 | 0 | 109.9 | Y7 D98 V99 R119 R192 | T5-Y7 HydrophobicContact CG2-CD2 4.26Å; T5-Y7 HydrophobicContact CG2-CE1 4.02Å; T5-Y7 HydrophobicContact CG2-CE2 3.75Å; T5-D98 PolarHBondContact N-OD1 3.2Å; T5-D98 WeakPolarHBondContact O-CA 3.25Å; T5-D98 WeakPolarHBondContact O-CB 3.43Å; T5-V99 PolarHBondContact O-N 2.99Å; T5-R119 HydrophobicContact CG2-CB 4.32Å; T5-R119 HydrophobicContact CG2-CG 3.75Å; T5-R192 PolarHBondContact OG1-NH1 2.83Å; T5-R192 VanDerWaalsContact OG1-NH1 3.1Å | ||
| 6 | L | 95.6 | Very high | 90.3 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 120 | 170.1 | -173.6 | 61.9 | 0 | 0 | 0 | 109.3 | I89 L93 V99 L101 I111 M115 A118 R119 | L6-I89 HydrophobicContact CD1-CD1 4.34Å; L6-I89 HydrophobicContact CD1-CG2 3.85Å; L6-I89 HydrophobicContact CD2-CG2 4.14Å; L6-L93 HydrophobicContact CB-CD1 4.02Å; L6-L93 HydrophobicContact CB-CD2 4.34Å; L6-V99 HydrophobicContact CD1-CB 3.92Å; L6-V99 HydrophobicContact CD1-CG1 4.1Å; L6-L101 HydrophobicContact CD1-CD1 3.78Å; L6-L101 HydrophobicContact CD1-CD2 4.19Å; L6-L101 HydrophobicContact CD1-CG 3.71Å; L6-L101 HydrophobicContact CD2-CD1 4.07Å; L6-L101 HydrophobicContact CG-CD1 4.17Å; L6-L101 HydrophobicContact CG-CG 4.46Å; L6-I111 HydrophobicContact CD2-CG2 3.85Å; L6-M115 HydrophobicContact CD2-CE 4.04Å; L6-M115 HydrophobicContact CD2-SD 3.5Å; L6-M115 VanDerWaalsContact CD2-SD 3.5Å; L6-A118 HydrophobicContact CB-CB 4.19Å; L6-A118 HydrophobicContact CD2-CB 4.15Å; L6-A118 HydrophobicContact CG-CB 4.31Å; L6-A118 CarbonylContact O-C 3.57Å; L6-A118 WeakPolarHBondContact O-CA 3.47Å; L6-R119 PolarHBondContact O-N 3.16Å |
| 7 | Y | 96.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 124 | 173.6 | -65.5 | -83 | 0 | 0 | 0 | 110.1 | T5 D98 V99 F100 L101 R119 I121 I182 I183 E186 | T5-Y7 HydrophobicContact CG2-CD2 4.26Å; T5-Y7 HydrophobicContact CG2-CE1 4.02Å; T5-Y7 HydrophobicContact CG2-CE2 3.75Å; Y7-D98 HydrophobicContact CD2-CB 4.19Å; Y7-D98 HydrophobicContact CE2-CB 3.85Å; Y7-V99 PolarHBondContact N-O 2.66Å; Y7-F100 HydrophobicContact CD1-CE1 4.41Å; Y7-F100 HydrophobicContact CD2-CD1 4.34Å; Y7-F100 AromaticContact CD2-CE1 3.74Å; Y7-F100 HydrophobicContact CD2-CE1 3.74Å; Y7-F100 HydrophobicContact CD2-CE2 4.03Å; Y7-F100 AromaticContact CD2-CZ 3.53Å; Y7-F100 HydrophobicContact CD2-CZ 3.53Å; Y7-F100 HydrophobicContact CE2-CZ 4.04Å; Y7-F100 HydrophobicContact CG-CD1 4.15Å; Y7-F100 AromaticContact CG-CE1 3.66Å; Y7-F100 HydrophobicContact CG-CE1 3.66Å; Y7-F100 AromaticContact CG-CZ 3.96Å; Y7-F100 HydrophobicContact CG-CZ 3.96Å; Y7-F100 CarbonylContact O-C 3.55Å; Y7-F100 WeakPolarHBondContact O-CA 3.14Å; Y7-L101 PolarHBondContact O-N 3.02Å; Y7-R119 CarbonylContact C-O 3.6Å; Y7-R119 VanDerWaalsContact CA-O 3.25Å; Y7-R119 WeakPolarHBondContact CA-O 3.29Å; Y7-R119 HydrophobicContact CD1-CB 3.76Å; Y7-R119 HydrophobicContact CE1-CB 3.89Å; Y7-R119 HydrophobicContact CE1-CG 4.37Å; Y7-I121 HydrophobicContact CD1-CD1 4Å; Y7-I182 HydrophobicContact CE1-CG2 4.47Å; Y7-I183 HydrophobicContact CE1-CG1 4.24Å; Y7-I183 HydrophobicContact CE2-CG1 4.37Å; Y7-I183 HydrophobicContact CE2-CG2 4.46Å; Y7-E186 HydrophobicContact CE1-CB 4.36Å; Y7-E186 HydrophobicContact CE1-CG 4.08Å; Y7-E186 WeakPolarHBondContact OH-CB 3.11Å |
| 8 | I | 96.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 117.3 | 172.1 | -55 | 163.2 | 0 | 0 | 0 | 106.9 | L101 I103 A108 I111 R112 A118 R119 S120 I121 | I8-L101 HydrophobicContact CG1-CD1 4.49Å; I8-I103 HydrophobicContact CG2-CD1 3.82Å; I8-I103 HydrophobicContact CG2-CG1 3.78Å; I8-A108 HydrophobicContact CG2-CB 3.57Å; I8-I111 HydrophobicContact CD1-CB 3.8Å; I8-I111 HydrophobicContact CD1-CG2 3.6Å; I8-I111 HydrophobicContact CG1-CB 4.47Å; I8-I111 HydrophobicContact CG1-CG2 4.11Å; I8-R112 HydrophobicContact CD1-CG 3.91Å; I8-A118 HydrophobicContact CD1-CB 3.82Å; I8-A118 HydrophobicContact CG1-CB 4.26Å; I8-R119 PolarHBondContact N-O 3.43Å; I8-S120 CarbonylContact O-C 3.57Å; I8-S120 WeakPolarHBondContact O-CA 3.29Å; I8-I121 PolarHBondContact O-N 3.4Å |
| 9 | V | 96.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 120.8 | 178.4 | -170.5 | 0 | 0 | 0 | 0 | 108.7 | K17 I21 F100 L101 I103 I121 I123 | V9-K17 HydrophobicContact CB-CD 4.4Å; V9-K17 HydrophobicContact CG1-CD 4Å; V9-K17 HydrophobicContact CG1-CG 3.91Å; V9-K17 WeakPolarHBondContact O-CD 3.48Å; V9-I21 HydrophobicContact CB-CD1 3.97Å; V9-I21 HydrophobicContact CB-CG1 4.49Å; V9-I21 HydrophobicContact CG1-CD1 4.12Å; V9-I21 HydrophobicContact CG1-CG1 4.38Å; V9-I21 HydrophobicContact CG2-CD1 4.33Å; V9-I21 HydrophobicContact CG2-CG1 4.48Å; V9-F100 HydrophobicContact CG2-CD1 3.99Å; V9-L101 PolarHBondContact N-O 3.45Å; V9-I103 PolarHBondContact O-N 3.45Å; V9-I103 VanDerWaalsContact O-O 3.11Å; V9-I121 WeakPolarHBondContact CA-O 3.42Å; V9-I123 HydrophobicContact CG1-CD1 3.54Å; V9-I123 HydrophobicContact CG1-CG1 4.28Å |
| 10 | S | 96.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 150.8 | 179 | -56.6 | 0 | 0 | 0 | 0 | 110.4 | I103 D104 I121 F122 I123 Y163 | S10-I103 WeakPolarHBondContact CA-O 3.5Å; S10-I103 WeakPolarHBondContact CB-O 3.41Å; S10-I103 PolarHBondContact OG-O 2.93Å; S10-D104 PolarHBondContact OG-O 3.05Å; S10-I121 PolarHBondContact N-O 3.08Å; S10-F122 CarbonylContact O-C 3.59Å; S10-F122 VanDerWaalsContact O-CA 3.31Å; S10-F122 WeakPolarHBondContact O-CA 3.29Å; S10-I123 PolarHBondContact O-N 3.21Å; S10-Y163 WeakPolarHBondContact CB-OH 3.47Å; S10-Y163 PolarHBondContact OG-OH 3.37Å |
| 11 | A | 95.3 | Very high | 90.6 | Very high | 11 Ų | 11 | 28 Ų | 28 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | trans | -166.4 | 153.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | A15 K17 I123 | A11-A15 HydrophobicContact CB-CB 3.92Å; A11-K17 HydrophobicContact CB-CB 3.62Å; A11-K17 HydrophobicContact CB-CD 4.07Å; A11-K17 HydrophobicContact CB-CG 4.36Å; A11-I123 HydrophobicContact CB-CB 3.79Å; A11-I123 WeakPolarHBondContact CB-O 3.35Å | ||
| 12 | P | 92.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | trans | -66.3 | 154.8 | 170 | 34.6 | -38.6 | 0 | 0 | 0 | 110.7 | G14 A15 I123 A153 E156 M157 | P12-G14 PolarHBondContact O-N 3.37Å; P12-G14 VanDerWaalsContact O-N 3.15Å; P12-A15 HydrophobicContact CG-CB 3.76Å; P12-A15 WeakPolarHBondContact O-CB 3.35Å; P12-A15 PolarHBondContact O-N 3.13Å; P12-A15 VanDerWaalsContact O-N 3.09Å; P12-I123 WeakPolarHBondContact CD-O 3.43Å; P12-A153 HydrophobicContact CB-CB 3.88Å; P12-A153 WeakPolarHBondContact CB-O 3.41Å; P12-E156 VanDerWaalsContact CA-OE2 3.22Å; P12-E156 WeakPolarHBondContact CA-OE2 3.48Å; P12-E156 HydrophobicContact CB-CB 4.17Å; P12-M157 HydrophobicContact CB-CG 3.84Å; P12-M157 HydrophobicContact CG-CG 3.49Å; P12-M157 VanDerWaalsContact CG-CG 3.49Å; P12-M157 HydrophobicContact CG-SD 4.05Å | ||
| 13 | S | 86.2 | Confident | 92.3 | Very high | 38 Ų | 38 | 23.6 Ų | 23.6 | 27% | 0.266 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 124 | 172.8 | 167.1 | 0 | 0 | 0 | 0 | 110.9 | L131 L135 R149 E156 | S13-L131 VanDerWaalsContact O-CD1 3.23Å; S13-L131 WeakPolarHBondContact O-CD1 3.24Å; S13-L135 WeakPolarHBondContact O-CD2 3.38Å; S13-L135 WeakPolarHBondContact OG-CD2 3.32Å; S13-R149 PolarHBondContact OG-NH2 3.34Å; S13-E156 PolarHBondContact N-OE2 3.24Å |
| 14 | G | 87.2 | Confident | 92.4 | Very high | 6 Ų | 6 | 18.3 Ų | 18.3 | 6% | 0.062 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | -6.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | P12 G16 R134 | P12-G14 PolarHBondContact O-N 3.37Å; P12-G14 VanDerWaalsContact O-N 3.15Å; G14-G16 PolarHBondContact O-N 3.08Å; G14-R134 WeakPolarHBondContact O-CD 3.4Å |
| 15 | A | 92.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -75.2 | -4.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A11 P12 I123 N169 | A11-A15 HydrophobicContact CB-CB 3.92Å; P12-A15 HydrophobicContact CG-CB 3.76Å; P12-A15 WeakPolarHBondContact O-CB 3.35Å; P12-A15 PolarHBondContact O-N 3.13Å; P12-A15 VanDerWaalsContact O-N 3.09Å; A15-I123 HydrophobicContact CB-CG2 4.33Å; A15-N169 WeakPolarHBondContact O-CB 3.44Å; A15-N169 PolarHBondContact O-ND2 2.83Å |
| 16 | G | 91.1 | Very high | 91.7 | Very high | 11 Ų | 11 | 26.3 Ų | 26.3 | 11% | 0.113 | 15% | 0.149 | C | C | . | . | trans | 88.7 | 15.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | G14 S18 S19 L20 | G14-G16 PolarHBondContact O-N 3.08Å; G16-S18 PolarHBondContact O-N 2.79Å; G16-S19 WeakPolarHBondContact O-CB 3.24Å; G16-S19 PolarHBondContact O-N 3.18Å; G16-L20 PolarHBondContact O-N 3.29Å | ||
| 17 | K | 92.5 | Very high | 90.6 | Very high | 28 Ų | 28 | 28 Ų | 28 | 12% | 0.122 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -45.8 | -62.1 | 176.6 | 172.1 | 166.8 | 59.1 | 141.8 | 0 | 114.1 | V9 A11 S19 L20 I21 D102 I103 I123 | V9-K17 HydrophobicContact CB-CD 4.4Å; V9-K17 HydrophobicContact CG1-CD 4Å; V9-K17 HydrophobicContact CG1-CG 3.91Å; V9-K17 WeakPolarHBondContact O-CD 3.48Å; A11-K17 HydrophobicContact CB-CB 3.62Å; A11-K17 HydrophobicContact CB-CD 4.07Å; A11-K17 HydrophobicContact CB-CG 4.36Å; K17-S19 VanDerWaalsContact C-N 3.27Å; K17-S19 PolarHBondContact O-N 3Å; K17-L20 PolarHBondContact O-N 3.33Å; K17-L20 VanDerWaalsContact O-N 3.13Å; K17-I21 HydrophobicContact CG-CD1 3.83Å; K17-I21 WeakPolarHBondContact O-CG1 3.33Å; K17-I21 PolarHBondContact O-N 3.2Å; K17-D102 WeakPolarHBondContact CD-OD1 3.38Å; K17-D102 WeakPolarHBondContact CE-OD1 3.26Å; K17-D102 WeakPolarHBondContact CG-OD1 3.37Å; K17-D102 IonicContact NZ-OD1 3.53Å; K17-D102 PolarHBondContact NZ-OD1 3.29Å; K17-I103 PolarHBondContact NZ-O 3.49Å; K17-I123 HydrophobicContact CB-CD1 4.15Å; K17-I123 HydrophobicContact CG-CD1 4.42Å |
| 18 | S | 88.9 | Confident | 88.8 | Confident | 59 Ų | 59 | 32.9 Ų | 32.9 | 41% | 0.413 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.9 | -34.3 | -176 | -46.6 | 0 | 0 | 0 | 0 | 111.9 | G16 I21 Q22 D102 | G16-S18 PolarHBondContact O-N 2.79Å; S18-I21 PolarHBondContact O-N 2.92Å; S18-Q22 WeakPolarHBondContact O-CB 3.37Å; S18-Q22 WeakPolarHBondContact O-CG 3.4Å; S18-Q22 PolarHBondContact O-N 2.83Å; S18-D102 PolarHBondContact OG-OD2 2.94Å |
| 19 | S | 92 | Very high | 86.8 | Confident | 67 Ų | 67 | 38.8 Ų | 38.8 | 47% | 0.469 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.2 | -43.4 | 174.8 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | G16 K17 Q22 A23 | G16-S19 WeakPolarHBondContact O-CB 3.24Å; G16-S19 PolarHBondContact O-N 3.18Å; K17-S19 VanDerWaalsContact C-N 3.27Å; K17-S19 PolarHBondContact O-N 3Å; S19-Q22 PolarHBondContact O-N 3.08Å; S19-A23 VanDerWaalsContact O-CB 3.32Å; S19-A23 WeakPolarHBondContact O-CB 3.35Å; S19-A23 PolarHBondContact O-N 2.85Å |
| 20 | L | 94.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 177.1 | -79 | 167.2 | 0 | 0 | 0 | 111.9 | G16 K17 A23 L24 I123 N169 F172 A175 L176 L179 | G16-L20 PolarHBondContact O-N 3.29Å; K17-L20 PolarHBondContact O-N 3.33Å; K17-L20 VanDerWaalsContact O-N 3.13Å; L20-A23 PolarHBondContact O-N 3.03Å; L20-L24 WeakPolarHBondContact O-CB 3.49Å; L20-L24 PolarHBondContact O-N 3.35Å; L20-I123 HydrophobicContact CD1-CD1 3.8Å; L20-I123 HydrophobicContact CD1-CG1 4.43Å; L20-I123 HydrophobicContact CD1-CG2 4.05Å; L20-N169 HydrophobicContact CD1-CB 4.22Å; L20-F172 HydrophobicContact CD2-CD2 4.11Å; L20-F172 HydrophobicContact CD2-CE2 3.79Å; L20-F172 HydrophobicContact CD2-CZ 4.18Å; L20-F172 HydrophobicContact CG-CD2 4.41Å; L20-F172 HydrophobicContact CG-CE2 3.91Å; L20-A175 HydrophobicContact CD1-CB 4.19Å; L20-A175 HydrophobicContact CD2-CB 3.96Å; L20-L176 HydrophobicContact CD2-CB 3.95Å; L20-L179 HydrophobicContact CB-CD2 4.25Å |
| 21 | I | 91.5 | Very high | 82.9 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 176.3 | -66.3 | 170.4 | 0 | 0 | 0 | 110.1 | V9 K17 S18 A23 L24 L25 V35 D102 | V9-I21 HydrophobicContact CB-CD1 3.97Å; V9-I21 HydrophobicContact CB-CG1 4.49Å; V9-I21 HydrophobicContact CG1-CD1 4.12Å; V9-I21 HydrophobicContact CG1-CG1 4.38Å; V9-I21 HydrophobicContact CG2-CD1 4.33Å; V9-I21 HydrophobicContact CG2-CG1 4.48Å; K17-I21 HydrophobicContact CG-CD1 3.83Å; K17-I21 WeakPolarHBondContact O-CG1 3.33Å; K17-I21 PolarHBondContact O-N 3.2Å; S18-I21 PolarHBondContact O-N 2.92Å; I21-A23 PolarHBondContact O-N 2.62Å; I21-L24 WeakPolarHBondContact O-CB 3.25Å; I21-L24 PolarHBondContact O-N 3.49Å; I21-L25 HydrophobicContact CG2-CD1 4.12Å; I21-L25 VanDerWaalsContact O-CG 3.31Å; I21-L25 WeakPolarHBondContact O-CG 3.21Å; I21-L25 PolarHBondContact O-N 3.24Å; I21-V35 HydrophobicContact CG2-CG2 3.68Å; I21-D102 HydrophobicContact CD1-CB 3.78Å |
| 22 | Q | 89.3 | Confident | 81.9 | Confident | 101 Ų | 101 | 51 Ų | 51 | 47% | 0.472 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 179.4 | -70.7 | -62.6 | -29.9 | 0 | 0 | 112.4 | S18 S19 L24 L25 K26 | S18-Q22 WeakPolarHBondContact O-CB 3.37Å; S18-Q22 WeakPolarHBondContact O-CG 3.4Å; S18-Q22 PolarHBondContact O-N 2.83Å; S19-Q22 PolarHBondContact O-N 3.08Å; Q22-L24 VanDerWaalsContact C-N 3.33Å; Q22-L25 PolarHBondContact O-N 3.05Å; Q22-K26 WeakPolarHBondContact O-CG 3.35Å; Q22-K26 PolarHBondContact O-N 3.06Å |
| 23 | A | 91.7 | Very high | 81.1 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 17% | 0.165 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.8 | -36.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S19 L20 I21 K26 T27 F172 L176 | S19-A23 VanDerWaalsContact O-CB 3.32Å; S19-A23 WeakPolarHBondContact O-CB 3.35Å; S19-A23 PolarHBondContact O-N 2.85Å; L20-A23 PolarHBondContact O-N 3.03Å; I21-A23 PolarHBondContact O-N 2.62Å; A23-K26 PolarHBondContact O-N 3.4Å; A23-T27 VanDerWaalsContact O-CG2 3.26Å; A23-T27 WeakPolarHBondContact O-CG2 3.41Å; A23-T27 PolarHBondContact O-N 2.6Å; A23-F172 HydrophobicContact CB-CE1 3.9Å; A23-F172 HydrophobicContact CB-CZ 3.65Å; A23-L176 HydrophobicContact CB-CD1 4.03Å; A23-L176 HydrophobicContact CB-CD2 3.9Å |
| 24 | L | 90.2 | Very high | 80.8 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 172.9 | 174.9 | 72.9 | 0 | 0 | 0 | 111.2 | L20 I21 Q22 K26 T27 F100 L176 L179 K180 I183 | L20-L24 WeakPolarHBondContact O-CB 3.49Å; L20-L24 PolarHBondContact O-N 3.35Å; I21-L24 WeakPolarHBondContact O-CB 3.25Å; I21-L24 PolarHBondContact O-N 3.49Å; Q22-L24 VanDerWaalsContact C-N 3.33Å; L24-K26 VanDerWaalsContact C-N 3.27Å; L24-K26 PolarHBondContact O-N 2.92Å; L24-T27 PolarHBondContact O-N 3.26Å; L24-T27 PolarHBondContact O-OG1 3.24Å; L24-F100 HydrophobicContact CD2-CD1 4.25Å; L24-F100 HydrophobicContact CD2-CE1 3.63Å; L24-F100 HydrophobicContact CD2-CE2 3.99Å; L24-F100 HydrophobicContact CD2-CZ 3.51Å; L24-L176 HydrophobicContact CB-CD1 4.1Å; L24-L179 HydrophobicContact CB-CD2 4.19Å; L24-L179 HydrophobicContact CD2-CD2 3.98Å; L24-L179 HydrophobicContact CD2-CG 4.18Å; L24-K180 HydrophobicContact CD1-CG 3.65Å; L24-I183 HydrophobicContact CD1-CD1 3.55Å; L24-I183 HydrophobicContact CD2-CD1 3.32Å; L24-I183 HydrophobicContact CG-CD1 4.03Å |
| 25 | L | 84.1 | Confident | 80.5 | Confident | 28 Ų | 28 | 56.4 Ų | 56.4 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.1 | -35.4 | 179.5 | -63.7 | 168.8 | 0 | 0 | 0 | 112.3 | I21 Q22 T27 Q28 V35 | I21-L25 HydrophobicContact CG2-CD1 4.12Å; I21-L25 VanDerWaalsContact O-CG 3.31Å; I21-L25 WeakPolarHBondContact O-CG 3.21Å; I21-L25 PolarHBondContact O-N 3.24Å; Q22-L25 PolarHBondContact O-N 3.05Å; L25-T27 PolarHBondContact O-N 3.39Å; L25-Q28 WeakPolarHBondContact O-CG 3.24Å; L25-Q28 PolarHBondContact O-N 3.49Å; L25-V35 HydrophobicContact CD1-CB 4.46Å; L25-V35 HydrophobicContact CD1-CG2 3.39Å; L25-V35 HydrophobicContact CD2-CG2 4.26Å; L25-V35 HydrophobicContact CG-CG2 4.3Å |
| 26 | K | 84.6 | Confident | 80.2 | Confident | 171 Ų | 171 | 57.5 Ų | 57.5 | 74% | 0.743 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -12.7 | 175.2 | -73 | 177.3 | -177.8 | -176.1 | 0 | 114.1 | Q22 A23 L24 Q28 | Q22-K26 WeakPolarHBondContact O-CG 3.35Å; Q22-K26 PolarHBondContact O-N 3.06Å; A23-K26 PolarHBondContact O-N 3.4Å; L24-K26 VanDerWaalsContact C-N 3.27Å; L24-K26 PolarHBondContact O-N 2.92Å; K26-Q28 VanDerWaalsContact C-N 3.27Å; K26-Q28 PolarHBondContact O-N 3.42Å |
| 27 | T | 73.3 | Confident | 79.9 | Confident | 40 Ų | 40 | 58.6 Ų | 58.6 | 25% | 0.245 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 11.3 | 178.1 | 65.9 | 0 | 0 | 0 | 0 | 113.7 | A23 L24 L25 K180 | A23-T27 VanDerWaalsContact O-CG2 3.26Å; A23-T27 WeakPolarHBondContact O-CG2 3.41Å; A23-T27 PolarHBondContact O-N 2.6Å; L24-T27 PolarHBondContact O-N 3.26Å; L24-T27 PolarHBondContact O-OG1 3.24Å; L25-T27 PolarHBondContact O-N 3.39Å; T27-K180 VanDerWaalsContact CG2-NZ 3.26Å; T27-K180 WeakPolarHBondContact OG1-CE 3.38Å |
| 28 | Q | 58.1 | Low | 79.8 | Confident | 102 Ų | 102 | 58.3 Ų | 58.3 | 48% | 0.477 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 133.5 | 168.9 | -76.8 | 175.3 | 5.1 | 0 | 0 | 110.7 | L25 K26 T33 | L25-Q28 WeakPolarHBondContact O-CG 3.24Å; L25-Q28 PolarHBondContact O-N 3.49Å; K26-Q28 VanDerWaalsContact C-N 3.27Å; K26-Q28 PolarHBondContact O-N 3.42Å; Q28-T33 PolarHBondContact NE2-O 3.1Å; Q28-T33 PolarHBondContact NE2-OG1 2.92Å; Q28-T33 VanDerWaalsContact NE2-OG1 3.13Å |
| 29 | P | 54.7 | Low | 80.1 | Confident | 125 Ų | 125 | 56.5 Ų | 56.5 | 81% | 0.812 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -115.3 | 16.2 | 44 | 29.9 | -14.5 | 0 | 0 | 0 | 115.4 | Y31 | P29-Y31 PolarHBondContact O-N 3.27Š|
| 30 | L | 53.4 | Low | 80.3 | Confident | 129 Ų | 129 | 53.3 Ų | 53.3 | 68% | 0.675 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -66.8 | -23.7 | -175.3 | -75.2 | 164.7 | 0 | 0 | 0 | 114 | ||
| 31 | Y | 57.6 | Low | 80.5 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 12% | 0.118 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -142.9 | 120.5 | -174.2 | -51.9 | -67.8 | 0 | 0 | 0 | 110.3 | P29 T33 | P29-Y31 PolarHBondContact O-N 3.27Å; Y31-T33 PolarHBondContact O-N 3.36Å; Y31-T33 PolarHBondContact O-OG1 3.46Å |
| 32 | D | 73.1 | Confident | 80.7 | Confident | 109 Ų | 109 | 54.8 Ų | 54.8 | 58% | 0.583 | 29% | 0.288 | S | S | * | . | trans | -65.4 | 100.3 | 166.8 | -58.5 | -45.7 | 0 | 0 | 0 | 108.5 | V97 D98 R187 | D32-V97 HydrophobicContact CB-CG2 4.08Å; D32-D98 PolarHBondContact O-N 2.92Å; D32-R187 PolarHBondContact O-NH2 3.32Å | ||
| 33 | T | 76.4 | Confident | 80.9 | Confident | 7 Ų | 7 | 57.4 Ų | 57.4 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 141.5 | -175.1 | 55.2 | 0 | 0 | 0 | 0 | 110.2 | Q28 Y31 D98 F100 | Q28-T33 PolarHBondContact NE2-O 3.1Å; Q28-T33 PolarHBondContact NE2-OG1 2.92Å; Q28-T33 VanDerWaalsContact NE2-OG1 3.13Å; Y31-T33 PolarHBondContact O-N 3.36Å; Y31-T33 PolarHBondContact O-OG1 3.46Å; T33-D98 CarbonylContact C-O 3.53Å; T33-D98 VanDerWaalsContact CA-O 3.32Å; T33-D98 WeakPolarHBondContact CA-O 3.48Å; T33-D98 HydrophobicContact CG2-CB 4.32Å; T33-F100 HydrophobicContact CG2-CE2 3.72Å |
| 34 | Q | 80.1 | Confident | 81.1 | Confident | 99 Ų | 99 | 59.2 Ų | 59.2 | 46% | 0.463 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 153.5 | 175.4 | -66.9 | -179.3 | 31.1 | 0 | 0 | 110.5 | V97 D98 V99 F100 | Q34-V97 HydrophobicContact CB-CG1 4.2Å; Q34-V97 HydrophobicContact CG-CG1 3.8Å; Q34-D98 PolarHBondContact N-O 2.83Å; Q34-V99 CarbonylContact O-C 3.59Å; Q34-V99 WeakPolarHBondContact O-CA 3.36Å; Q34-F100 PolarHBondContact O-N 3.32Å |
| 35 | V | 81.5 | Confident | 81.2 | Confident | 54 Ų | 54 | 66.6 Ų | 66.6 | 33% | 0.327 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 136.8 | 167.1 | 171.7 | 0 | 0 | 0 | 0 | 108 | I21 L25 F100 | I21-V35 HydrophobicContact CG2-CG2 3.68Å; L25-V35 HydrophobicContact CD1-CB 4.46Å; L25-V35 HydrophobicContact CD1-CG2 3.39Å; L25-V35 HydrophobicContact CD2-CG2 4.26Å; L25-V35 HydrophobicContact CG-CG2 4.3Å; V35-F100 WeakPolarHBondContact CA-O 3.41Å; V35-F100 HydrophobicContact CG2-CB 4.31Å |
| 36 | S | 85.1 | Confident | 81.7 | Confident | 23 Ų | 23 | 71.8 Ų | 71.8 | 16% | 0.161 | 37% | 0.373 | C | S | . | . | trans | -67.7 | 138.3 | 176.8 | -179 | 0 | 0 | 0 | 0 | 112 | I89 F100 | S36-I89 WeakPolarHBondContact OG-CD1 3.32Å; S36-F100 PolarHBondContact N-O 3.23Å; S36-F100 VanDerWaalsContact N-O 3.13Å | ||
| 37 | V | 85.7 | Confident | 82.1 | Confident | 34 Ų | 34 | 67 Ų | 67 | 21% | 0.206 | 37% | 0.372 | C | S | . | . | trans | -90.6 | 114.5 | 168.8 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | E52 Y54 F55 | V37-E52 VanDerWaalsContact CG2-O 3.32Å; V37-E52 WeakPolarHBondContact CG2-O 3.2Å; V37-Y54 VanDerWaalsContact CG1-CA 3.48Å; V37-F55 HydrophobicContact CB-CD2 4.28Å; V37-F55 HydrophobicContact CB-CE2 3.92Å; V37-F55 HydrophobicContact CG1-CD2 3.82Å; V37-F55 HydrophobicContact CG1-CE2 3.85Å | ||
| 38 | S | 90.7 | Very high | 83 | Confident | 22 Ų | 22 | 67 Ų | 67 | 15% | 0.154 | 37% | 0.369 | C | S | . | . | trans | -82 | 161.4 | 179.2 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | Y54 F55 G83 T84 | S38-Y54 CarbonylContact O-C 3.58Å; S38-Y54 VanDerWaalsContact O-CA 3.26Å; S38-Y54 WeakPolarHBondContact O-CA 3.47Å; S38-Y54 WeakPolarHBondContact O-CD1 3.2Å; S38-F55 PolarHBondContact O-N 2.87Å; S38-G83 CarbonylContact C-O 3.52Å; S38-G83 WeakPolarHBondContact CA-O 3.46Å; S38-G83 WeakPolarHBondContact CB-O 3.49Å; S38-T84 PolarHBondContact OG-OG1 3.46Å | ||
| 39 | H | 95.5 | Very high | 84.6 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 10% | 0.097 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 149.5 | 166.7 | -67.6 | 59.3 | 0 | 0 | 0 | 109.9 | F55 V57 F62 F71 Y82 G83 | H39-F55 CarbonylContact C-O 3.59Å; H39-F55 WeakPolarHBondContact CA-O 3.4Å; H39-F55 HydrophobicContact CB-CB 4.31Å; H39-F55 WeakPolarHBondContact CD2-CB 3.21Å; H39-F55 AromaticContact CE1-CD2 3.51Å; H39-F55 AromaticContact CE1-CG 3.65Å; H39-F55 AromaticContact ND1-CD2 3.83Å; H39-F55 WeakPolarHBondContact NE2-CB 3.32Å; H39-F55 AromaticContact NE2-CG 3.71Å; H39-V57 HydrophobicContact CB-CG2 4.45Å; H39-F62 HydrophobicContact CB-CD2 4.33Å; H39-F62 HydrophobicContact CB-CE2 3.94Å; H39-F71 HydrophobicContact CB-CE1 3.82Å; H39-F71 HydrophobicContact CB-CZ 4.04Å; H39-F71 AromaticContact CG-CE1 3.77Å; H39-F71 AromaticContact ND1-CE1 3.94Å; H39-Y82 VanDerWaalsContact O-CA 3.28Å; H39-Y82 WeakPolarHBondContact O-CA 3.41Å; H39-G83 PolarHBondContact N-O 2.98Å; H39-G83 PolarHBondContact O-N 2.93Å |
| 40 | T | 96 | Very high | 86.4 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 149.2 | 171.1 | -170.6 | 0 | 0 | 0 | 0 | 112.5 | R42 Y54 F55 F56 V57 Y81 Y82 | T40-R42 HydrophobicContact CG2-CB 4.17Å; T40-R42 WeakPolarHBondContact OG1-CB 3.49Å; T40-R42 PolarHBondContact OG1-N 3Å; T40-Y54 HydrophobicContact CG2-CD1 4.05Å; T40-Y54 HydrophobicContact CG2-CD2 4.42Å; T40-Y54 HydrophobicContact CG2-CG 3.79Å; T40-F55 PolarHBondContact N-O 3.15Å; T40-F56 HydrophobicContact CG2-CD1 3.52Å; T40-F56 HydrophobicContact CG2-CE1 3.74Å; T40-F56 WeakPolarHBondContact O-CA 3.49Å; T40-V57 PolarHBondContact O-N 2.94Å; T40-Y81 WeakPolarHBondContact CA-O 3.48Å; T40-Y81 PolarHBondContact OG1-O 3.3Å; T40-Y81 VanDerWaalsContact OG1-O 3.04Å; T40-Y82 WeakPolarHBondContact OG1-CD1 3.48Å; T40-Y82 WeakPolarHBondContact OG1-CE1 3.38Å |
| 41 | T | 97.1 | Very high | 88.1 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.043 | 34% | 0.335 | C | S | . | . | trans | -91.5 | -1.3 | 170.1 | 67.6 | 0 | 0 | 0 | 0 | 114.1 | V57 H59 F62 N80 Y81 | T41-V57 VanDerWaalsContact CA-O 3.28Å; T41-V57 WeakPolarHBondContact CA-O 3.34Å; T41-H59 PolarHBondContact OG1-CE1 2.89Å; T41-H59 VanDerWaalsContact OG1-CE1 3.25Å; T41-H59 PolarHBondContact OG1-NE2 2.92Å; T41-F62 HydrophobicContact CG2-CB 3.53Å; T41-F62 HydrophobicContact CG2-CD2 3.81Å; T41-F62 HydrophobicContact CG2-CG 3.8Å; T41-N80 WeakPolarHBondContact OG1-CA 3.31Å; T41-Y81 HydrophobicContact CG2-CD2 4.12Å; T41-Y81 PolarHBondContact N-O 3Å; T41-Y81 PolarHBondContact OG1-N 2.84Å | ||
| 42 | R | 96.5 | Very high | 89.4 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 10% | 0.098 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -66.3 | 142.2 | 171.7 | 172.2 | 176.3 | 76.5 | 80.7 | -13.2 | 110.1 | T40 E48 F56 N80 | T40-R42 HydrophobicContact CG2-CB 4.17Å; T40-R42 WeakPolarHBondContact OG1-CB 3.49Å; T40-R42 PolarHBondContact OG1-N 3Å; R42-E48 IonicContact CZ-OE1 3.21Å; R42-E48 IonicContact CZ-OE2 2.85Å; R42-E48 IonicContact NH1-OE1 2.77Å; R42-E48 IonicContact NH1-OE2 2.86Å; R42-E48 PolarHBondContact NH1-OE2 3.27Å; R42-E48 IonicContact NH2-OE1 2.8Å; R42-E48 PolarHBondContact NH2-OE1 3.4Å; R42-E48 IonicContact NH2-OE2 3.64Å; R42-E48 PolarHBondContact NH2-OE2 3.39Å; R42-F56 VanDerWaalsContact O-CD1 3.31Å; R42-F56 WeakPolarHBondContact O-CD1 3.35Å; R42-N80 WeakPolarHBondContact CA-OD1 3.46Å; R42-N80 HydrophobicContact CB-CB 4.13Å |
| 43 | Q | 94.1 | Very high | 90.1 | Very high | 155 Ų | 155 | 63.2 Ų | 63.2 | 72% | 0.724 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 139 | 169.1 | -67.9 | -61.7 | -32.8 | 0 | 0 | 112 | R45 | Q43-R45 PolarHBondContact O-N 3.32Š|
| 44 | P | 94.5 | Very high | 90.8 | Very high | 59 Ų | 59 | 66.3 Ų | 66.3 | 38% | 0.383 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -54 | 136.7 | 175.9 | -20.2 | 27.6 | 0 | 0 | 0 | 112.1 | F56 | P44-F56 HydrophobicContact CB-CD1 4.33Å; P44-F56 HydrophobicContact CB-CD2 4.29Å; P44-F56 HydrophobicContact CB-CE1 4Å; P44-F56 HydrophobicContact CB-CE2 3.96Å; P44-F56 HydrophobicContact CB-CG 4.46Å; P44-F56 HydrophobicContact CB-CZ 3.8Å; P44-F56 HydrophobicContact CG-CB 4.25Å; P44-F56 HydrophobicContact CG-CD1 3.79Å; P44-F56 HydrophobicContact CG-CD2 3.75Å; P44-F56 HydrophobicContact CG-CE1 3.99Å; P44-F56 HydrophobicContact CG-CE2 3.95Å; P44-F56 HydrophobicContact CG-CG 3.66Å; P44-F56 HydrophobicContact CG-CZ 4.06Å |
| 45 | R | 93.7 | Very high | 91.5 | Very high | 158 Ų | 158 | 64.4 Ų | 64.4 | 60% | 0.596 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -78 | 156.3 | 167.7 | -77.2 | 154.6 | -171.9 | -169.3 | 3.7 | 109.2 | Q43 G47 E48 | Q43-R45 PolarHBondContact O-N 3.32Å; R45-G47 PolarHBondContact O-N 3.12Å; R45-G47 VanDerWaalsContact O-N 3.16Å; R45-E48 HydrophobicContact CB-CG 4.05Å; R45-E48 WeakPolarHBondContact CB-OE2 3.48Å; R45-E48 PolarHBondContact N-OE2 3.33Å; R45-E48 WeakPolarHBondContact O-CB 3.29Å; R45-E48 PolarHBondContact O-N 2.89Å |
| 46 | P | 93.5 | Very high | 92.2 | Very high | 137 Ų | 137 | 63.2 Ų | 63.2 | 89% | 0.89 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 124 | 172.6 | -26.3 | 34.9 | 0 | 0 | 0 | 111.5 | ||
| 47 | G | 93 | Very high | 92.8 | Very high | 69 Ų | 69 | 63.4 Ų | 63.4 | 71% | 0.711 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.1 | -11.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R45 | R45-G47 PolarHBondContact O-N 3.12Å; R45-G47 VanDerWaalsContact O-N 3.16Å |
| 48 | E | 92.2 | Very high | 93.3 | Very high | 41 Ų | 41 | 65.3 Ų | 65.3 | 19% | 0.192 | 35% | 0.349 | C | S | . | . | trans | -78.3 | 139.1 | 174.4 | -65.1 | -177.9 | 145.1 | 0 | 0 | 111.4 | R42 R45 H53 F56 | R42-E48 IonicContact CZ-OE1 3.21Å; R42-E48 IonicContact CZ-OE2 2.85Å; R42-E48 IonicContact NH1-OE1 2.77Å; R42-E48 IonicContact NH1-OE2 2.86Å; R42-E48 PolarHBondContact NH1-OE2 3.27Å; R42-E48 IonicContact NH2-OE1 2.8Å; R42-E48 PolarHBondContact NH2-OE1 3.4Å; R42-E48 IonicContact NH2-OE2 3.64Å; R42-E48 PolarHBondContact NH2-OE2 3.39Å; R45-E48 HydrophobicContact CB-CG 4.05Å; R45-E48 WeakPolarHBondContact CB-OE2 3.48Å; R45-E48 PolarHBondContact N-OE2 3.33Å; R45-E48 WeakPolarHBondContact O-CB 3.29Å; R45-E48 PolarHBondContact O-N 2.89Å; E48-H53 HydrophobicContact CB-CB 4.13Å; E48-H53 HydrophobicContact CG-CB 4.31Å; E48-F56 HydrophobicContact CB-CE2 4.26Å; E48-F56 HydrophobicContact CB-CZ 3.82Å | ||
| 49 | V | 92 | Very high | 93.6 | Very high | 71 Ų | 71 | 67.7 Ų | 67.7 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | trans | -116.3 | 133.1 | -177.2 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | G51 E52 H53 | V49-G51 PolarHBondContact O-N 3.24Å; V49-E52 HydrophobicContact CB-CB 4.05Å; V49-E52 HydrophobicContact CG1-CB 4.28Å; V49-E52 PolarHBondContact O-N 3.41Å; V49-H53 PolarHBondContact N-ND1 3.29Å; V49-H53 VanDerWaalsContact N-ND1 3.13Å; V49-H53 PolarHBondContact O-N 3.43Å | ||
| 50 | H | 93.3 | Very high | 93.7 | Very high | 109 Ų | 109 | 72.5 Ų | 72.5 | 51% | 0.505 | 38% | 0.384 | S | S | . | . | B | Isolated β-bridge | trans | -61.8 | 131.7 | 176.9 | -177.2 | 100.7 | 0 | 0 | 0 | 110.8 | E52 Y54 F55 F56 | H50-E52 PolarHBondContact O-N 3.48Å; H50-Y54 CarbonylContact C-O 3.58Å; H50-Y54 WeakPolarHBondContact CA-O 3.41Å; H50-F55 AromaticContact NE2-CD1 3.6Å; H50-F56 HydrophobicContact CB-CD2 3.97Å; H50-F56 PolarHBondContact CE1-N 3.26Å; H50-F56 PolarHBondContact CE1-O 2.92Å; H50-F56 VanDerWaalsContact CE1-O 3.27Å; H50-F56 PolarHBondContact ND1-N 3.17Å; H50-F56 VanDerWaalsContact ND1-N 3.12Å; H50-F56 PolarHBondContact ND1-O 3.33Å |
| 51 | G | 88 | Confident | 93.7 | Very high | 31 Ų | 31 | 76.7 Ų | 76.7 | 32% | 0.32 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -10.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V49 Y54 | V49-G51 PolarHBondContact O-N 3.24Å; G51-Y54 PolarHBondContact N-O 3.26Å |
| 52 | E | 85.7 | Confident | 93.8 | Very high | 128 Ų | 128 | 76.3 Ų | 76.3 | 60% | 0.598 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -48.4 | 173.1 | -174.8 | -176.4 | 163.2 | 0 | 0 | 111.4 | V37 V49 H50 | V37-E52 VanDerWaalsContact CG2-O 3.32Å; V37-E52 WeakPolarHBondContact CG2-O 3.2Å; V49-E52 HydrophobicContact CB-CB 4.05Å; V49-E52 HydrophobicContact CG1-CB 4.28Å; V49-E52 PolarHBondContact O-N 3.41Å; H50-E52 PolarHBondContact O-N 3.48Å |
| 53 | H | 86.9 | Confident | 93.8 | Very high | 77 Ų | 77 | 80.2 Ų | 80.2 | 36% | 0.356 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -48.2 | -177.9 | -65.4 | 72.9 | 0 | 0 | 0 | 111.1 | E48 V49 | E48-H53 HydrophobicContact CB-CB 4.13Å; E48-H53 HydrophobicContact CG-CB 4.31Å; V49-H53 PolarHBondContact N-ND1 3.29Å; V49-H53 VanDerWaalsContact N-ND1 3.13Å; V49-H53 PolarHBondContact O-N 3.43Å |
| 54 | Y | 92 | Very high | 94 | Very high | 71 Ų | 71 | 77.2 Ų | 77.2 | 28% | 0.278 | 41% | 0.405 | S | S | . | . | B | Isolated β-bridge | trans | -151.1 | 156.4 | 173.3 | -67.4 | -82.1 | 0 | 0 | 0 | 109.6 | V37 S38 T40 H50 G51 F56 Y82 | V37-Y54 VanDerWaalsContact CG1-CA 3.48Å; S38-Y54 CarbonylContact O-C 3.58Å; S38-Y54 VanDerWaalsContact O-CA 3.26Å; S38-Y54 WeakPolarHBondContact O-CA 3.47Å; S38-Y54 WeakPolarHBondContact O-CD1 3.2Å; T40-Y54 HydrophobicContact CG2-CD1 4.05Å; T40-Y54 HydrophobicContact CG2-CD2 4.42Å; T40-Y54 HydrophobicContact CG2-CG 3.79Å; H50-Y54 CarbonylContact C-O 3.58Å; H50-Y54 WeakPolarHBondContact CA-O 3.41Å; G51-Y54 PolarHBondContact N-O 3.26Å; Y54-F56 HydrophobicContact CD2-CE1 4.17Å; Y54-F56 HydrophobicContact CD2-CZ 4.1Å; Y54-F56 HydrophobicContact CG-CE1 4.34Å; Y54-F56 HydrophobicContact CG-CZ 4.43Å; Y54-F56 WeakPolarHBondContact O-CD2 3.32Å; Y54-F56 PolarHBondContact O-N 2.83Å; Y54-Y82 HydrophobicContact CE1-CD1 4.34Å; Y54-Y82 HydrophobicContact CE1-CE1 4.47Å |
| 55 | F | 94.5 | Very high | 94.1 | Very high | 59 Ų | 59 | 76.3 Ų | 76.3 | 26% | 0.259 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 98 | 159.3 | -66 | -80.9 | 0 | 0 | 0 | 108.4 | V37 S38 H39 T40 H50 V57 | V37-F55 HydrophobicContact CB-CD2 4.28Å; V37-F55 HydrophobicContact CB-CE2 3.92Å; V37-F55 HydrophobicContact CG1-CD2 3.82Å; V37-F55 HydrophobicContact CG1-CE2 3.85Å; S38-F55 PolarHBondContact O-N 2.87Å; H39-F55 CarbonylContact C-O 3.59Å; H39-F55 WeakPolarHBondContact CA-O 3.4Å; H39-F55 HydrophobicContact CB-CB 4.31Å; H39-F55 WeakPolarHBondContact CD2-CB 3.21Å; H39-F55 AromaticContact CE1-CD2 3.51Å; H39-F55 AromaticContact CE1-CG 3.65Å; H39-F55 AromaticContact ND1-CD2 3.83Å; H39-F55 WeakPolarHBondContact NE2-CB 3.32Å; H39-F55 AromaticContact NE2-CG 3.71Å; T40-F55 PolarHBondContact N-O 3.15Å; H50-F55 AromaticContact NE2-CD1 3.6Å; F55-V57 PolarHBondContact O-N 2.87Å |
| 56 | F | 96.2 | Very high | 94.2 | Very high | 29 Ų | 29 | 71.4 Ų | 71.4 | 13% | 0.127 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 116.9 | 178.2 | -56.9 | -77 | 0 | 0 | 0 | 110.2 | T40 R42 P44 E48 H50 Y54 | T40-F56 HydrophobicContact CG2-CD1 3.52Å; T40-F56 HydrophobicContact CG2-CE1 3.74Å; T40-F56 WeakPolarHBondContact O-CA 3.49Å; R42-F56 VanDerWaalsContact O-CD1 3.31Å; R42-F56 WeakPolarHBondContact O-CD1 3.35Å; P44-F56 HydrophobicContact CB-CD1 4.33Å; P44-F56 HydrophobicContact CB-CD2 4.29Å; P44-F56 HydrophobicContact CB-CE1 4Å; P44-F56 HydrophobicContact CB-CE2 3.96Å; P44-F56 HydrophobicContact CB-CG 4.46Å; P44-F56 HydrophobicContact CB-CZ 3.8Å; P44-F56 HydrophobicContact CG-CB 4.25Å; P44-F56 HydrophobicContact CG-CD1 3.79Å; P44-F56 HydrophobicContact CG-CD2 3.75Å; P44-F56 HydrophobicContact CG-CE1 3.99Å; P44-F56 HydrophobicContact CG-CE2 3.95Å; P44-F56 HydrophobicContact CG-CG 3.66Å; P44-F56 HydrophobicContact CG-CZ 4.06Å; E48-F56 HydrophobicContact CB-CE2 4.26Å; E48-F56 HydrophobicContact CB-CZ 3.82Å; H50-F56 HydrophobicContact CB-CD2 3.97Å; H50-F56 PolarHBondContact CE1-N 3.26Å; H50-F56 PolarHBondContact CE1-O 2.92Å; H50-F56 VanDerWaalsContact CE1-O 3.27Å; H50-F56 PolarHBondContact ND1-N 3.17Å; H50-F56 VanDerWaalsContact ND1-N 3.12Å; H50-F56 PolarHBondContact ND1-O 3.33Å; Y54-F56 HydrophobicContact CD2-CE1 4.17Å; Y54-F56 HydrophobicContact CD2-CZ 4.1Å; Y54-F56 HydrophobicContact CG-CE1 4.34Å; Y54-F56 HydrophobicContact CG-CZ 4.43Å; Y54-F56 WeakPolarHBondContact O-CD2 3.32Å; Y54-F56 PolarHBondContact O-N 2.83Å |
| 57 | V | 97.2 | Very high | 94.3 | Very high | 27 Ų | 27 | 69.6 Ų | 69.6 | 16% | 0.164 | 37% | 0.371 | C | S | . | . | trans | -131.4 | 159.2 | 179.7 | -64.7 | 0 | 0 | 0 | 0 | 109.5 | H39 T40 T41 F55 E61 F62 | H39-V57 HydrophobicContact CB-CG2 4.45Å; T40-V57 PolarHBondContact O-N 2.94Å; T41-V57 VanDerWaalsContact CA-O 3.28Å; T41-V57 WeakPolarHBondContact CA-O 3.34Å; F55-V57 PolarHBondContact O-N 2.87Å; V57-E61 WeakPolarHBondContact CA-OE2 3.37Å; V57-E61 HydrophobicContact CB-CB 4.12Å; V57-E61 WeakPolarHBondContact CB-OE2 3.47Å; V57-F62 HydrophobicContact CG2-CB 4.09Å; V57-F62 HydrophobicContact CG2-CD2 3.8Å; V57-F62 HydrophobicContact CG2-CG 4.45Å | ||
| 58 | N | 96.9 | Very high | 94.5 | Very high | 75 Ų | 75 | 74.7 Ų | 74.7 | 40% | 0.401 | 37% | 0.369 | S | S | . | . | trans | -81.5 | 169.2 | 175.5 | 71.9 | 54.5 | 0 | 0 | 0 | 112 | D60 E61 F62 | N58-D60 VanDerWaalsContact C-N 3.29Å; N58-D60 PolarHBondContact O-N 3.45Å; N58-D60 WeakPolarHBondContact OD1-CA 3.46Å; N58-D60 WeakPolarHBondContact OD1-CB 3.45Å; N58-D60 PolarHBondContact OD1-N 3.43Å; N58-E61 PolarHBondContact N-OE2 3.49Å; N58-E61 WeakPolarHBondContact ND2-CG 3.26Å; N58-E61 PolarHBondContact ND2-OE1 2.9Å; N58-E61 PolarHBondContact ND2-OE2 3.27Å; N58-E61 VanDerWaalsContact ND2-OE2 3.15Å; N58-E61 PolarHBondContact O-N 2.94Å; N58-E61 PolarHBondContact OD1-N 3.23Å; N58-F62 WeakPolarHBondContact O-CB 3.42Å; N58-F62 PolarHBondContact O-N 3.31Å | ||
| 59 | H | 96.9 | Very high | 94.6 | Very high | 72 Ų | 72 | 76.6 Ų | 76.6 | 33% | 0.333 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.4 | -33.3 | -178.3 | -74.3 | 65.5 | 0 | 0 | 0 | 113.8 | T41 K63 G79 Y81 | T41-H59 PolarHBondContact OG1-CE1 2.89Å; T41-H59 VanDerWaalsContact OG1-CE1 3.25Å; T41-H59 PolarHBondContact OG1-NE2 2.92Å; H59-K63 WeakPolarHBondContact O-CB 3.46Å; H59-K63 WeakPolarHBondContact O-CG 3.48Å; H59-K63 PolarHBondContact O-N 3.35Å; H59-G79 PolarHBondContact NE2-O 2.77Å; H59-Y81 AromaticContact CD2-CD2 3.76Å; H59-Y81 AromaticContact CD2-CE2 3.65Å |
| 60 | D | 97.4 | Very high | 94.8 | Very high | 121 Ų | 121 | 74.7 Ų | 74.7 | 65% | 0.647 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -74.4 | -44 | -179.4 | -65.7 | -27.8 | 0 | 0 | 0 | 110.8 | N58 F62 K63 E64 | N58-D60 VanDerWaalsContact C-N 3.29Å; N58-D60 PolarHBondContact O-N 3.45Å; N58-D60 WeakPolarHBondContact OD1-CA 3.46Å; N58-D60 WeakPolarHBondContact OD1-CB 3.45Å; N58-D60 PolarHBondContact OD1-N 3.43Å; D60-F62 VanDerWaalsContact C-N 3.34Å; D60-F62 PolarHBondContact O-N 2.99Å; D60-K63 PolarHBondContact O-N 3.24Å; D60-E64 WeakPolarHBondContact O-CB 3.34Å; D60-E64 PolarHBondContact O-N 2.95Å |
| 61 | E | 97.1 | Very high | 94.9 | Very high | 88 Ų | 88 | 69.5 Ų | 69.5 | 41% | 0.411 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.5 | -46.4 | 171.5 | -71.9 | 169 | 161.6 | 0 | 0 | 111 | V57 N58 K63 E64 M65 | V57-E61 WeakPolarHBondContact CA-OE2 3.37Å; V57-E61 HydrophobicContact CB-CB 4.12Å; V57-E61 WeakPolarHBondContact CB-OE2 3.47Å; N58-E61 PolarHBondContact N-OE2 3.49Å; N58-E61 WeakPolarHBondContact ND2-CG 3.26Å; N58-E61 PolarHBondContact ND2-OE1 2.9Å; N58-E61 PolarHBondContact ND2-OE2 3.27Å; N58-E61 VanDerWaalsContact ND2-OE2 3.15Å; N58-E61 PolarHBondContact O-N 2.94Å; N58-E61 PolarHBondContact OD1-N 3.23Å; E61-K63 PolarHBondContact O-N 3Å; E61-E64 PolarHBondContact O-N 3.28Å; E61-M65 VanDerWaalsContact O-CG 3.29Å; E61-M65 WeakPolarHBondContact O-CG 3.31Å; E61-M65 PolarHBondContact O-N 3.04Å |
| 62 | F | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 178.9 | -162.2 | -75.3 | 0 | 0 | 0 | 111.7 | H39 T41 V57 N58 D60 E64 M65 I66 F71 H74 Y81 Y82 | H39-F62 HydrophobicContact CB-CD2 4.33Å; H39-F62 HydrophobicContact CB-CE2 3.94Å; T41-F62 HydrophobicContact CG2-CB 3.53Å; T41-F62 HydrophobicContact CG2-CD2 3.81Å; T41-F62 HydrophobicContact CG2-CG 3.8Å; V57-F62 HydrophobicContact CG2-CB 4.09Å; V57-F62 HydrophobicContact CG2-CD2 3.8Å; V57-F62 HydrophobicContact CG2-CG 4.45Å; N58-F62 WeakPolarHBondContact O-CB 3.42Å; N58-F62 PolarHBondContact O-N 3.31Å; D60-F62 VanDerWaalsContact C-N 3.34Å; D60-F62 PolarHBondContact O-N 2.99Å; F62-E64 VanDerWaalsContact C-N 3.33Å; F62-E64 PolarHBondContact O-N 3.49Å; F62-M65 WeakPolarHBondContact O-CB 3.17Å; F62-M65 PolarHBondContact O-N 3.26Å; F62-I66 HydrophobicContact CD1-CD1 3.71Å; F62-I66 HydrophobicContact CD1-CG1 3.95Å; F62-I66 HydrophobicContact CE1-CD1 3.72Å; F62-I66 HydrophobicContact CE1-CG1 3.85Å; F62-I66 WeakPolarHBondContact O-CG1 3.49Å; F62-I66 PolarHBondContact O-N 3.25Å; F62-F71 AromaticContact CD1-CE2 3.82Å; F62-F71 HydrophobicContact CD1-CE2 3.82Å; F62-F71 HydrophobicContact CD1-CZ 4.39Å; F62-F71 HydrophobicContact CD2-CE2 4.14Å; F62-F71 AromaticContact CD2-CZ 3.87Å; F62-F71 HydrophobicContact CD2-CZ 3.87Å; F62-F71 HydrophobicContact CE1-CD2 4.03Å; F62-F71 AromaticContact CE1-CE2 3.45Å; F62-F71 HydrophobicContact CE1-CE2 3.45Å; F62-F71 VanDerWaalsContact CE1-CE2 3.45Å; F62-F71 HydrophobicContact CE1-CZ 4.06Å; F62-F71 HydrophobicContact CE2-CE1 4.27Å; F62-F71 AromaticContact CE2-CE2 3.83Å; F62-F71 HydrophobicContact CE2-CE2 3.83Å; F62-F71 AromaticContact CE2-CZ 3.53Å; F62-F71 HydrophobicContact CE2-CZ 3.53Å; F62-F71 HydrophobicContact CG-CE2 4.13Å; F62-F71 HydrophobicContact CG-CZ 4.29Å; F62-F71 HydrophobicContact CZ-CD2 4.07Å; F62-F71 HydrophobicContact CZ-CE1 4.34Å; F62-F71 AromaticContact CZ-CE2 3.46Å; F62-F71 HydrophobicContact CZ-CE2 3.46Å; F62-F71 VanDerWaalsContact CZ-CE2 3.46Å; F62-F71 AromaticContact CZ-CZ 3.62Å; F62-F71 HydrophobicContact CZ-CZ 3.62Å; F62-H74 HydrophobicContact CE1-CB 4.07Å; F62-H74 HydrophobicContact CZ-CB 4.05Å; F62-Y81 HydrophobicContact CD1-CD2 4.44Å; F62-Y81 AromaticContact CD1-CG 3.96Å; F62-Y81 HydrophobicContact CD1-CG 3.96Å; F62-Y81 HydrophobicContact CE1-CD1 4.4Å; F62-Y81 HydrophobicContact CE1-CG 4.1Å; F62-Y81 HydrophobicContact CG-CG 4.47Å; F62-Y82 VanDerWaalsContact CZ-C 3.47Å |
| 63 | K | 97 | Very high | 95.7 | Very high | 108 Ų | 108 | 62.5 Ų | 62.5 | 47% | 0.47 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.9 | -36 | 176.8 | -75.1 | 170.8 | -176.3 | 174.1 | 0 | 112.3 | H59 D60 E61 M65 I66 S67 | H59-K63 WeakPolarHBondContact O-CB 3.46Å; H59-K63 WeakPolarHBondContact O-CG 3.48Å; H59-K63 PolarHBondContact O-N 3.35Å; D60-K63 PolarHBondContact O-N 3.24Å; E61-K63 PolarHBondContact O-N 3Å; K63-M65 VanDerWaalsContact C-N 3.34Å; K63-I66 PolarHBondContact O-N 3.13Å; K63-S67 PolarHBondContact O-N 2.89Å |
| 64 | E | 97.5 | Very high | 96.1 | Very high | 92 Ų | 92 | 61.7 Ų | 61.7 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 172.6 | -178.2 | 170 | -148.7 | 0 | 0 | 111.8 | D60 E61 F62 S67 R68 | D60-E64 WeakPolarHBondContact O-CB 3.34Å; D60-E64 PolarHBondContact O-N 2.95Å; E61-E64 PolarHBondContact O-N 3.28Å; F62-E64 VanDerWaalsContact C-N 3.33Å; F62-E64 PolarHBondContact O-N 3.49Å; E64-S67 PolarHBondContact O-N 3.38Å; E64-S67 PolarHBondContact O-OG 3.33Å; E64-R68 WeakPolarHBondContact O-CG 3.2Å; E64-R68 PolarHBondContact O-N 3.23Å; E64-R68 IonicContact OE1-CZ 4Å; E64-R68 IonicContact OE1-NE 2.77Å; E64-R68 IonicContact OE1-NH2 2.91Å; E64-R68 PolarHBondContact OE1-NH2 2.9Å |
| 65 | M | 97.3 | Very high | 96.2 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 19% | 0.192 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 172.7 | -69.3 | 177.7 | 77.1 | 0 | 0 | 112 | E61 F62 K63 R68 D69 A70 F71 | E61-M65 VanDerWaalsContact O-CG 3.29Å; E61-M65 WeakPolarHBondContact O-CG 3.31Å; E61-M65 PolarHBondContact O-N 3.04Å; F62-M65 WeakPolarHBondContact O-CB 3.17Å; F62-M65 PolarHBondContact O-N 3.26Å; K63-M65 VanDerWaalsContact C-N 3.34Å; M65-R68 PolarHBondContact O-N 3Å; M65-D69 PolarHBondContact O-N 3.13Å; M65-A70 HydrophobicContact CB-CB 4Å; M65-A70 HydrophobicContact CE-CB 4.38Å; M65-A70 WeakPolarHBondContact O-CB 3.19Å; M65-A70 PolarHBondContact O-N 3.02Å; M65-F71 HydrophobicContact CB-CD2 4.23Å; M65-F71 HydrophobicContact CB-CE2 3.44Å; M65-F71 VanDerWaalsContact CB-CE2 3.44Å; M65-F71 HydrophobicContact CB-CZ 3.69Å; M65-F71 HydrophobicContact CE-CE1 3.55Å; M65-F71 HydrophobicContact CE-CE2 4.35Å; M65-F71 HydrophobicContact CE-CZ 3.46Å; M65-F71 VanDerWaalsContact CE-CZ 3.46Å; M65-F71 HydrophobicContact CG-CZ 4.32Å; M65-F71 HydrophobicContact SD-CE1 4.34Å; M65-F71 HydrophobicContact SD-CE2 4.37Å; M65-F71 HydrophobicContact SD-CZ 3.65Å |
| 66 | I | 95.9 | Very high | 96.1 | Very high | 56 Ų | 56 | 62.3 Ų | 62.3 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.7 | -47.9 | 173.2 | -66.9 | 170.6 | 0 | 0 | 0 | 110.5 | F62 K63 R68 D69 F71 | F62-I66 HydrophobicContact CD1-CD1 3.71Å; F62-I66 HydrophobicContact CD1-CG1 3.95Å; F62-I66 HydrophobicContact CE1-CD1 3.72Å; F62-I66 HydrophobicContact CE1-CG1 3.85Å; F62-I66 WeakPolarHBondContact O-CG1 3.49Å; F62-I66 PolarHBondContact O-N 3.25Å; K63-I66 PolarHBondContact O-N 3.13Å; I66-R68 PolarHBondContact O-N 2.96Å; I66-R68 VanDerWaalsContact O-N 3.13Å; I66-D69 PolarHBondContact O-N 2.95Å; I66-F71 HydrophobicContact CG1-CD2 3.94Å; I66-F71 HydrophobicContact CG1-CE2 4.1Å |
| 67 | S | 96.5 | Very high | 95.6 | Very high | 98 Ų | 98 | 63.6 Ų | 63.6 | 69% | 0.685 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.7 | -21.4 | -175.8 | 76.4 | 0 | 0 | 0 | 0 | 113.4 | K63 E64 | K63-S67 PolarHBondContact O-N 2.89Å; E64-S67 PolarHBondContact O-N 3.38Å; E64-S67 PolarHBondContact O-OG 3.33Å |
| 68 | R | 95.9 | Very high | 95.1 | Very high | 176 Ų | 176 | 71.8 Ų | 71.8 | 66% | 0.664 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 9.6 | 176.6 | -62.2 | 173.3 | -177.4 | -169.6 | 0.4 | 113.9 | E64 M65 I66 A70 | E64-R68 WeakPolarHBondContact O-CG 3.2Å; E64-R68 PolarHBondContact O-N 3.23Å; E64-R68 IonicContact OE1-CZ 4Å; E64-R68 IonicContact OE1-NE 2.77Å; E64-R68 IonicContact OE1-NH2 2.91Å; E64-R68 PolarHBondContact OE1-NH2 2.9Å; M65-R68 PolarHBondContact O-N 3Å; I66-R68 PolarHBondContact O-N 2.96Å; I66-R68 VanDerWaalsContact O-N 3.13Å; R68-A70 PolarHBondContact O-N 2.71Å |
| 69 | D | 94.2 | Very high | 94.8 | Very high | 82 Ų | 82 | 70.1 Ų | 70.1 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 35.4 | -172.8 | -166.6 | 49.6 | 0 | 0 | 0 | 113.5 | M65 I66 F71 R86 K114 | M65-D69 PolarHBondContact O-N 3.13Å; I66-D69 PolarHBondContact O-N 2.95Å; D69-F71 PolarHBondContact O-N 2.97Å; D69-R86 IonicContact OD2-CZ 3.33Å; D69-R86 IonicContact OD2-NE 3.67Å; D69-R86 IonicContact OD2-NH2 2.6Å; D69-R86 PolarHBondContact OD2-NH2 2.77Å; D69-K114 IonicContact OD1-NZ 3.99Å; D69-K114 PolarHBondContact OD1-NZ 2.91Å |
| 70 | A | 95.7 | Very high | 94.7 | Very high | 30 Ų | 30 | 68.8 Ų | 68.8 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | trans | -72.3 | -14.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | M65 R68 R86 | M65-A70 HydrophobicContact CB-CB 4Å; M65-A70 HydrophobicContact CE-CB 4.38Å; M65-A70 WeakPolarHBondContact O-CB 3.19Å; M65-A70 PolarHBondContact O-N 3.02Å; R68-A70 PolarHBondContact O-N 2.71Å; A70-R86 WeakPolarHBondContact O-CB 3.39Å; A70-R86 PolarHBondContact O-N 2.86Å | ||
| 71 | F | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 135.9 | -175.5 | -63.9 | -58.1 | 0 | 0 | 0 | 112.8 | H39 F62 M65 I66 D69 E73 H74 T84 K114 | H39-F71 HydrophobicContact CB-CE1 3.82Å; H39-F71 HydrophobicContact CB-CZ 4.04Å; H39-F71 AromaticContact CG-CE1 3.77Å; H39-F71 AromaticContact ND1-CE1 3.94Å; F62-F71 AromaticContact CD1-CE2 3.82Å; F62-F71 HydrophobicContact CD1-CE2 3.82Å; F62-F71 HydrophobicContact CD1-CZ 4.39Å; F62-F71 HydrophobicContact CD2-CE2 4.14Å; F62-F71 AromaticContact CD2-CZ 3.87Å; F62-F71 HydrophobicContact CD2-CZ 3.87Å; F62-F71 HydrophobicContact CE1-CD2 4.03Å; F62-F71 AromaticContact CE1-CE2 3.45Å; F62-F71 HydrophobicContact CE1-CE2 3.45Å; F62-F71 VanDerWaalsContact CE1-CE2 3.45Å; F62-F71 HydrophobicContact CE1-CZ 4.06Å; F62-F71 HydrophobicContact CE2-CE1 4.27Å; F62-F71 AromaticContact CE2-CE2 3.83Å; F62-F71 HydrophobicContact CE2-CE2 3.83Å; F62-F71 AromaticContact CE2-CZ 3.53Å; F62-F71 HydrophobicContact CE2-CZ 3.53Å; F62-F71 HydrophobicContact CG-CE2 4.13Å; F62-F71 HydrophobicContact CG-CZ 4.29Å; F62-F71 HydrophobicContact CZ-CD2 4.07Å; F62-F71 HydrophobicContact CZ-CE1 4.34Å; F62-F71 AromaticContact CZ-CE2 3.46Å; F62-F71 HydrophobicContact CZ-CE2 3.46Å; F62-F71 VanDerWaalsContact CZ-CE2 3.46Å; F62-F71 AromaticContact CZ-CZ 3.62Å; F62-F71 HydrophobicContact CZ-CZ 3.62Å; M65-F71 HydrophobicContact CB-CD2 4.23Å; M65-F71 HydrophobicContact CB-CE2 3.44Å; M65-F71 VanDerWaalsContact CB-CE2 3.44Å; M65-F71 HydrophobicContact CB-CZ 3.69Å; M65-F71 HydrophobicContact CE-CE1 3.55Å; M65-F71 HydrophobicContact CE-CE2 4.35Å; M65-F71 HydrophobicContact CE-CZ 3.46Å; M65-F71 VanDerWaalsContact CE-CZ 3.46Å; M65-F71 HydrophobicContact CG-CZ 4.32Å; M65-F71 HydrophobicContact SD-CE1 4.34Å; M65-F71 HydrophobicContact SD-CE2 4.37Å; M65-F71 HydrophobicContact SD-CZ 3.65Å; I66-F71 HydrophobicContact CG1-CD2 3.94Å; I66-F71 HydrophobicContact CG1-CE2 4.1Å; D69-F71 PolarHBondContact O-N 2.97Å; F71-E73 WeakPolarHBondContact CB-O 3.28Å; F71-H74 HydrophobicContact CB-CB 4.43Å; F71-H74 HydrophobicContact CD2-CB 4.35Å; F71-T84 CarbonylContact C-O 3.58Å; F71-T84 VanDerWaalsContact CA-O 3.31Å; F71-T84 WeakPolarHBondContact CA-O 3.42Å; F71-K114 PolarHBondContact O-NZ 2.71Å |
| 72 | L | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | -37.4 | 168.7 | -70.5 | 171.5 | 0 | 0 | 0 | 111.7 | T84 R86 I89 I111 K114 M115 | L72-T84 PolarHBondContact N-O 3.13Å; L72-R86 HydrophobicContact CD2-CB 4.08Å; L72-R86 HydrophobicContact CD2-CG 3.97Å; L72-R86 HydrophobicContact CG-CB 3.91Å; L72-R86 HydrophobicContact CG-CG 4.29Å; L72-I89 HydrophobicContact CD1-CB 3.95Å; L72-I89 HydrophobicContact CD1-CG1 3.97Å; L72-I89 HydrophobicContact CD1-CG2 3.95Å; L72-I111 HydrophobicContact CB-CD1 4.23Å; L72-I111 HydrophobicContact CB-CG1 4Å; L72-K114 HydrophobicContact CD2-CB 4.09Å; L72-K114 WeakPolarHBondContact O-CD 3.41Å; L72-M115 HydrophobicContact CD1-SD 3.42Å; L72-M115 WeakPolarHBondContact CD1-SD 3.23Å; L72-M115 HydrophobicContact CD2-CG 3.68Å; L72-M115 HydrophobicContact CD2-SD 3.6Å; L72-M115 VanDerWaalsContact CD2-SD 3.6Å; L72-M115 HydrophobicContact CG-SD 4.15Å |
| 73 | E | 95.7 | Very high | 94.4 | Very high | 11 Ų | 11 | 63.3 Ų | 63.3 | 5% | 0.051 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 151.9 | 169.3 | 62.7 | 75.7 | -148 | 0 | 0 | 109.2 | F71 G83 T84 I103 Q110 I111 | F71-E73 WeakPolarHBondContact CB-O 3.28Å; E73-G83 CarbonylContact O-C 3.58Å; E73-G83 VanDerWaalsContact O-CA 3.23Å; E73-G83 WeakPolarHBondContact O-CA 3.22Å; E73-T84 PolarHBondContact O-N 2.98Å; E73-T84 VanDerWaalsContact OE1-CB 3.27Å; E73-T84 WeakPolarHBondContact OE1-CB 3.44Å; E73-T84 PolarHBondContact OE1-N 3.48Å; E73-T84 VanDerWaalsContact OE1-N 3.14Å; E73-T84 PolarHBondContact OE1-OG1 3.02Å; E73-I103 HydrophobicContact CG-CD1 4.14Å; E73-Q110 HydrophobicContact CB-CB 3.89Å; E73-I111 HydrophobicContact CB-CD1 4.24Å; E73-I111 HydrophobicContact CB-CG1 3.81Å; E73-I111 HydrophobicContact CG-CD1 3.69Å; E73-I111 HydrophobicContact CG-CG1 3.84Å |
| 74 | H | 95.8 | Very high | 94.3 | Very high | 61 Ų | 61 | 58.2 Ų | 58.2 | 28% | 0.282 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 157.1 | 162.9 | 64 | 84 | 0 | 0 | 0 | 111 | F62 F71 Y82 Q110 | F62-H74 HydrophobicContact CE1-CB 4.07Å; F62-H74 HydrophobicContact CZ-CB 4.05Å; F71-H74 HydrophobicContact CB-CB 4.43Å; F71-H74 HydrophobicContact CD2-CB 4.35Å; H74-Y82 CarbonylContact C-O 3.59Å; H74-Y82 WeakPolarHBondContact CA-O 3.44Å; H74-Y82 WeakPolarHBondContact CB-O 3.28Å; H74-Q110 PolarHBondContact O-NE2 2.85Å; H74-Q110 VanDerWaalsContact O-NE2 3.1Å |
| 75 | A | 92.9 | Very high | 94.1 | Very high | 27 Ų | 27 | 54.4 Ų | 54.4 | 22% | 0.223 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 155.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V77 Y81 Y82 | A75-V77 HydrophobicContact CB-CG2 4.39Å; A75-Y81 WeakPolarHBondContact O-CA 3.42Å; A75-Y82 PolarHBondContact N-O 3.13Å; A75-Y82 PolarHBondContact O-N 3.05Å |
| 76 | E | 93.1 | Very high | 93.9 | Very high | 115 Ų | 115 | 55.2 Ų | 55.2 | 54% | 0.537 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 122.4 | 168.9 | -166.3 | 178.9 | 153.1 | 0 | 0 | 109.4 | N80 Y81 | E76-N80 CarbonylContact C-O 3.54Å; E76-N80 WeakPolarHBondContact CA-O 3.27Å; E76-Y81 HydrophobicContact CB-CD1 3.85Å; E76-Y81 HydrophobicContact CB-CE1 3.63Å; E76-Y81 HydrophobicContact CG-CD1 4.03Å; E76-Y81 HydrophobicContact CG-CE1 3.69Å; E76-Y81 VanDerWaalsContact OE2-CE1 3.26Å; E76-Y81 WeakPolarHBondContact OE2-CE1 3.46Å; E76-Y81 VanDerWaalsContact OE2-CZ 3.3Å; E76-Y81 PolarHBondContact OE2-OH 3.34Å |
| 77 | V | 85.8 | Confident | 93.7 | Very high | 56 Ų | 56 | 58.7 Ų | 58.7 | 34% | 0.339 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 114.1 | -177.8 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | A75 G79 N80 Y82 | A75-V77 HydrophobicContact CB-CG2 4.39Å; V77-G79 VanDerWaalsContact C-N 3.31Å; V77-G79 PolarHBondContact O-N 2.97Å; V77-N80 PolarHBondContact N-O 3.49Å; V77-N80 PolarHBondContact O-N 3.34Å; V77-N80 VanDerWaalsContact O-N 3.15Å; V77-Y82 HydrophobicContact CB-CD2 4.01Å; V77-Y82 HydrophobicContact CB-CE2 3.85Å; V77-Y82 HydrophobicContact CG2-CD2 4.17Å; V77-Y82 HydrophobicContact CG2-CE2 4.49Å |
| 78 | F | 86.3 | Confident | 93.4 | Very high | 200 Ų | 200 | 55.4 Ų | 55.4 | 88% | 0.877 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 44.9 | -177.4 | -52.3 | -63.1 | 0 | 0 | 0 | 113.5 | N80 | F78-N80 PolarHBondContact O-N 3.23Å; F78-N80 PolarHBondContact O-ND2 3.1Å |
| 79 | G | 90.3 | Very high | 93.2 | Very high | 40 Ų | 40 | 47.1 Ų | 47.1 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 2.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | H59 V77 | H59-G79 PolarHBondContact NE2-O 2.77Å; V77-G79 VanDerWaalsContact C-N 3.31Å; V77-G79 PolarHBondContact O-N 2.97Å |
| 80 | N | 94.8 | Very high | 93.1 | Very high | 43 Ų | 43 | 47.1 Ų | 47.1 | 23% | 0.23 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 141.8 | 174 | -59.5 | -77.9 | 0 | 0 | 0 | 109.7 | T41 R42 E76 V77 F78 Y82 | T41-N80 WeakPolarHBondContact OG1-CA 3.31Å; R42-N80 WeakPolarHBondContact CA-OD1 3.46Å; R42-N80 HydrophobicContact CB-CB 4.13Å; E76-N80 CarbonylContact C-O 3.54Å; E76-N80 WeakPolarHBondContact CA-O 3.27Å; V77-N80 PolarHBondContact N-O 3.49Å; V77-N80 PolarHBondContact O-N 3.34Å; V77-N80 VanDerWaalsContact O-N 3.15Å; F78-N80 PolarHBondContact O-N 3.23Å; F78-N80 PolarHBondContact O-ND2 3.1Å; N80-Y82 HydrophobicContact CB-CE2 3.86Å |
| 81 | Y | 96.3 | Very high | 92.9 | Very high | 44 Ų | 44 | 51 Ų | 51 | 17% | 0.173 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 148.2 | 173.5 | -64.3 | -73.9 | 0 | 0 | 0 | 110.6 | T40 T41 H59 F62 A75 E76 | T40-Y81 WeakPolarHBondContact CA-O 3.48Å; T40-Y81 PolarHBondContact OG1-O 3.3Å; T40-Y81 VanDerWaalsContact OG1-O 3.04Å; T41-Y81 HydrophobicContact CG2-CD2 4.12Å; T41-Y81 PolarHBondContact N-O 3Å; T41-Y81 PolarHBondContact OG1-N 2.84Å; H59-Y81 AromaticContact CD2-CD2 3.76Å; H59-Y81 AromaticContact CD2-CE2 3.65Å; F62-Y81 HydrophobicContact CD1-CD2 4.44Å; F62-Y81 AromaticContact CD1-CG 3.96Å; F62-Y81 HydrophobicContact CD1-CG 3.96Å; F62-Y81 HydrophobicContact CE1-CD1 4.4Å; F62-Y81 HydrophobicContact CE1-CG 4.1Å; F62-Y81 HydrophobicContact CG-CG 4.47Å; A75-Y81 WeakPolarHBondContact O-CA 3.42Å; E76-Y81 HydrophobicContact CB-CD1 3.85Å; E76-Y81 HydrophobicContact CB-CE1 3.63Å; E76-Y81 HydrophobicContact CG-CD1 4.03Å; E76-Y81 HydrophobicContact CG-CE1 3.69Å; E76-Y81 VanDerWaalsContact OE2-CE1 3.26Å; E76-Y81 WeakPolarHBondContact OE2-CE1 3.46Å; E76-Y81 VanDerWaalsContact OE2-CZ 3.3Å; E76-Y81 PolarHBondContact OE2-OH 3.34Å |
| 82 | Y | 94.6 | Very high | 92.5 | Very high | 51 Ų | 51 | 52.8 Ų | 52.8 | 20% | 0.2 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 139.4 | 172.3 | -62.1 | -95.7 | 0 | 0 | 0 | 108 | H39 T40 Y54 F62 H74 A75 V77 N80 | H39-Y82 VanDerWaalsContact O-CA 3.28Å; H39-Y82 WeakPolarHBondContact O-CA 3.41Å; T40-Y82 WeakPolarHBondContact OG1-CD1 3.48Å; T40-Y82 WeakPolarHBondContact OG1-CE1 3.38Å; Y54-Y82 HydrophobicContact CE1-CD1 4.34Å; Y54-Y82 HydrophobicContact CE1-CE1 4.47Å; F62-Y82 VanDerWaalsContact CZ-C 3.47Å; H74-Y82 CarbonylContact C-O 3.59Å; H74-Y82 WeakPolarHBondContact CA-O 3.44Å; H74-Y82 WeakPolarHBondContact CB-O 3.28Å; A75-Y82 PolarHBondContact N-O 3.13Å; A75-Y82 PolarHBondContact O-N 3.05Å; V77-Y82 HydrophobicContact CB-CD2 4.01Å; V77-Y82 HydrophobicContact CB-CE2 3.85Å; V77-Y82 HydrophobicContact CG2-CD2 4.17Å; V77-Y82 HydrophobicContact CG2-CE2 4.49Å; N80-Y82 HydrophobicContact CB-CE2 3.86Å |
| 83 | G | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 140.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S38 H39 E73 | S38-G83 CarbonylContact C-O 3.52Å; S38-G83 WeakPolarHBondContact CA-O 3.46Å; S38-G83 WeakPolarHBondContact CB-O 3.49Å; H39-G83 PolarHBondContact N-O 2.98Å; H39-G83 PolarHBondContact O-N 2.93Å; E73-G83 CarbonylContact O-C 3.58Å; E73-G83 VanDerWaalsContact O-CA 3.23Å; E73-G83 WeakPolarHBondContact O-CA 3.22Å |
| 84 | T | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 115.1 | 178.1 | -63.7 | 0 | 0 | 0 | 0 | 109.8 | S38 F71 L72 E73 R86 I89 L101 | S38-T84 PolarHBondContact OG-OG1 3.46Å; F71-T84 CarbonylContact C-O 3.58Å; F71-T84 VanDerWaalsContact CA-O 3.31Å; F71-T84 WeakPolarHBondContact CA-O 3.42Å; L72-T84 PolarHBondContact N-O 3.13Å; E73-T84 PolarHBondContact O-N 2.98Å; E73-T84 VanDerWaalsContact OE1-CB 3.27Å; E73-T84 WeakPolarHBondContact OE1-CB 3.44Å; E73-T84 PolarHBondContact OE1-N 3.48Å; E73-T84 VanDerWaalsContact OE1-N 3.14Å; E73-T84 PolarHBondContact OE1-OG1 3.02Å; T84-R86 PolarHBondContact O-N 2.8Å; T84-I89 HydrophobicContact CG2-CD1 4.05Å; T84-I89 HydrophobicContact CG2-CG1 3.74Å; T84-L101 HydrophobicContact CG2-CD1 4.2Å; T84-L101 HydrophobicContact CG2-CD2 3.89Å |
| 85 | S | 93.4 | Very high | 91.9 | Very high | 12 Ų | 12 | 56.8 Ų | 56.8 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 127.9 | -177.3 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | E87 A88 I89 | S85-E87 PolarHBondContact OG-N 3.1Å; S85-A88 PolarHBondContact OG-N 3.37Å; S85-I89 WeakPolarHBondContact O-CG1 3.31Å; S85-I89 PolarHBondContact O-N 3.41Å |
| 86 | R | 93.5 | Very high | 91.6 | Very high | 56 Ų | 56 | 56 Ų | 56 | 21% | 0.211 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -52.1 | 174.4 | 177.5 | -170.9 | -66.6 | -85 | 12.2 | 111.3 | D69 A70 L72 T84 A88 I89 E90 | D69-R86 IonicContact OD2-CZ 3.33Å; D69-R86 IonicContact OD2-NE 3.67Å; D69-R86 IonicContact OD2-NH2 2.6Å; D69-R86 PolarHBondContact OD2-NH2 2.77Å; A70-R86 WeakPolarHBondContact O-CB 3.39Å; A70-R86 PolarHBondContact O-N 2.86Å; L72-R86 HydrophobicContact CD2-CB 4.08Å; L72-R86 HydrophobicContact CD2-CG 3.97Å; L72-R86 HydrophobicContact CG-CB 3.91Å; L72-R86 HydrophobicContact CG-CG 4.29Å; T84-R86 PolarHBondContact O-N 2.8Å; R86-A88 VanDerWaalsContact C-N 3.35Å; R86-A88 PolarHBondContact O-N 2.87Å; R86-I89 PolarHBondContact O-N 3.03Å; R86-E90 HydrophobicContact CG-CG 4.31Å; R86-E90 WeakPolarHBondContact CG-OE1 3.46Å; R86-E90 IonicContact NH1-OE1 3.14Å; R86-E90 WeakPolarHBondContact O-CG 3.31Å; R86-E90 PolarHBondContact O-N 3.04Å |
| 87 | E | 91.4 | Very high | 91.4 | Very high | 130 Ų | 130 | 51.4 Ų | 51.4 | 61% | 0.607 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60.2 | -46 | -175.3 | -178.7 | 178.6 | -173.6 | 0 | 0 | 111.3 | S85 I89 E90 Q91 | S85-E87 PolarHBondContact OG-N 3.1Å; E87-I89 VanDerWaalsContact C-N 3.32Å; E87-I89 PolarHBondContact O-N 2.92Å; E87-E90 PolarHBondContact O-N 3.21Å; E87-Q91 HydrophobicContact CG-CG 4.36Å; E87-Q91 WeakPolarHBondContact O-CB 3.39Å; E87-Q91 VanDerWaalsContact O-CG 3.24Å; E87-Q91 WeakPolarHBondContact O-CG 3.5Å; E87-Q91 PolarHBondContact O-N 3.03Å; E87-Q91 PolarHBondContact OE1-NE2 2.97Å |
| 88 | A | 89.4 | Confident | 91.7 | Very high | 28 Ų | 28 | 48.7 Ų | 48.7 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -42.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S85 R86 V92 | S85-A88 PolarHBondContact OG-N 3.37Å; R86-A88 VanDerWaalsContact C-N 3.35Å; R86-A88 PolarHBondContact O-N 2.87Å; A88-V92 WeakPolarHBondContact O-CG2 3.44Å; A88-V92 PolarHBondContact O-N 3.3Å; A88-V92 VanDerWaalsContact O-N 3.17Å |
| 89 | I | 91.9 | Very high | 92 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.2 | -50.1 | 177.3 | -67.6 | -66.6 | 0 | 0 | 0 | 111.2 | L6 S36 L72 T84 S85 R86 E87 Q91 V92 L93 V99 L101 M115 | L6-I89 HydrophobicContact CD1-CD1 4.34Å; L6-I89 HydrophobicContact CD1-CG2 3.85Å; L6-I89 HydrophobicContact CD2-CG2 4.14Å; S36-I89 WeakPolarHBondContact OG-CD1 3.32Å; L72-I89 HydrophobicContact CD1-CB 3.95Å; L72-I89 HydrophobicContact CD1-CG1 3.97Å; L72-I89 HydrophobicContact CD1-CG2 3.95Å; T84-I89 HydrophobicContact CG2-CD1 4.05Å; T84-I89 HydrophobicContact CG2-CG1 3.74Å; S85-I89 WeakPolarHBondContact O-CG1 3.31Å; S85-I89 PolarHBondContact O-N 3.41Å; R86-I89 PolarHBondContact O-N 3.03Å; E87-I89 VanDerWaalsContact C-N 3.32Å; E87-I89 PolarHBondContact O-N 2.92Å; I89-Q91 VanDerWaalsContact C-N 3.31Å; I89-Q91 PolarHBondContact O-N 2.77Å; I89-V92 PolarHBondContact O-N 3.01Å; I89-L93 HydrophobicContact CG2-CD1 3.57Å; I89-L93 HydrophobicContact CG2-CG 4.18Å; I89-L93 WeakPolarHBondContact O-CB 3.32Å; I89-L93 VanDerWaalsContact O-CG 3.24Å; I89-L93 WeakPolarHBondContact O-CG 3.28Å; I89-L93 PolarHBondContact O-N 3.43Å; I89-V99 HydrophobicContact CD1-CB 4.48Å; I89-V99 HydrophobicContact CD1-CG1 3.58Å; I89-L101 HydrophobicContact CD1-CD2 3.72Å; I89-M115 HydrophobicContact CG2-CE 4.5Å; I89-M115 HydrophobicContact CG2-SD 4.36Å |
| 90 | E | 92.3 | Very high | 92.2 | Very high | 81 Ų | 81 | 37.4 Ų | 37.4 | 38% | 0.379 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.3 | -39.6 | -177.7 | -73 | 175.7 | -177.9 | 0 | 0 | 111.7 | R86 E87 L93 A94 | R86-E90 HydrophobicContact CG-CG 4.31Å; R86-E90 WeakPolarHBondContact CG-OE1 3.46Å; R86-E90 IonicContact NH1-OE1 3.14Å; R86-E90 WeakPolarHBondContact O-CG 3.31Å; R86-E90 PolarHBondContact O-N 3.04Å; E87-E90 PolarHBondContact O-N 3.21Å; E90-L93 PolarHBondContact O-N 2.76Å; E90-A94 WeakPolarHBondContact O-CB 3.45Å; E90-A94 PolarHBondContact O-N 3.04Å |
| 91 | Q | 90.6 | Very high | 92.1 | Very high | 112 Ų | 112 | 35.5 Ų | 35.5 | 52% | 0.523 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.8 | -47.9 | 174.8 | -75.3 | 176.9 | 1.2 | 0 | 0 | 111.9 | E87 I89 A94 T95 | E87-Q91 HydrophobicContact CG-CG 4.36Å; E87-Q91 WeakPolarHBondContact O-CB 3.39Å; E87-Q91 VanDerWaalsContact O-CG 3.24Å; E87-Q91 WeakPolarHBondContact O-CG 3.5Å; E87-Q91 PolarHBondContact O-N 3.03Å; E87-Q91 PolarHBondContact OE1-NE2 2.97Å; I89-Q91 VanDerWaalsContact C-N 3.31Å; I89-Q91 PolarHBondContact O-N 2.77Å; Q91-A94 PolarHBondContact O-N 2.83Å; Q91-T95 PolarHBondContact O-N 3.14Å |
| 92 | V | 89.8 | Confident | 91.8 | Very high | 39 Ų | 39 | 36.4 Ų | 36.4 | 24% | 0.236 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.2 | -45.4 | 178.8 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | A88 I89 A94 T95 V97 V99 | A88-V92 WeakPolarHBondContact O-CG2 3.44Å; A88-V92 PolarHBondContact O-N 3.3Å; A88-V92 VanDerWaalsContact O-N 3.17Å; I89-V92 PolarHBondContact O-N 3.01Å; V92-A94 VanDerWaalsContact C-N 3.27Å; V92-A94 PolarHBondContact O-N 3.34Å; V92-T95 WeakPolarHBondContact O-CB 3.43Å; V92-T95 PolarHBondContact O-N 3.48Å; V92-T95 PolarHBondContact O-OG1 3.43Å; V92-V97 HydrophobicContact CG1-CB 3.88Å; V92-V97 HydrophobicContact CG1-CG1 3.87Å; V92-V99 HydrophobicContact CB-CG2 3.89Å; V92-V99 HydrophobicContact CG1-CG2 3.41Å; V92-V99 VanDerWaalsContact CG1-CG2 3.41Å |
| 93 | L | 92.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.2 | -36 | 178.3 | -66.8 | 171.4 | 0 | 0 | 0 | 112.2 | Q3 G4 L6 I89 E90 T95 G96 V99 M115 | Q3-L93 HydrophobicContact CG-CB 4.27Å; Q3-L93 WeakPolarHBondContact CG-O 3.33Å; G4-L93 PolarHBondContact N-O 2.71Å; L6-L93 HydrophobicContact CB-CD1 4.02Å; L6-L93 HydrophobicContact CB-CD2 4.34Å; I89-L93 HydrophobicContact CG2-CD1 3.57Å; I89-L93 HydrophobicContact CG2-CG 4.18Å; I89-L93 WeakPolarHBondContact O-CB 3.32Å; I89-L93 VanDerWaalsContact O-CG 3.24Å; I89-L93 WeakPolarHBondContact O-CG 3.28Å; I89-L93 PolarHBondContact O-N 3.43Å; E90-L93 PolarHBondContact O-N 2.76Å; L93-T95 PolarHBondContact O-N 3.33Å; L93-G96 PolarHBondContact O-N 3.05Å; L93-V99 HydrophobicContact CD2-CB 4.15Å; L93-V99 HydrophobicContact CD2-CG2 3.86Å; L93-V99 HydrophobicContact CG-CG2 4.18Å; L93-M115 HydrophobicContact CD1-CE 3.87Å |
| 94 | A | 91 | Very high | 91.4 | Very high | 69 Ų | 69 | 37.7 Ų | 37.7 | 57% | 0.57 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -62.1 | -25.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | E90 Q91 V92 G96 | E90-A94 WeakPolarHBondContact O-CB 3.45Å; E90-A94 PolarHBondContact O-N 3.04Å; Q91-A94 PolarHBondContact O-N 2.83Å; V92-A94 VanDerWaalsContact C-N 3.27Å; V92-A94 PolarHBondContact O-N 3.34Å; A94-G96 PolarHBondContact O-N 2.74Å |
| 95 | T | 89.1 | Confident | 91.3 | Very high | 83 Ų | 83 | 40.2 Ų | 40.2 | 51% | 0.509 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -7.3 | 174.5 | 71.2 | 0 | 0 | 0 | 0 | 113.8 | Q91 V92 L93 V97 | Q91-T95 PolarHBondContact O-N 3.14Å; V92-T95 WeakPolarHBondContact O-CB 3.43Å; V92-T95 PolarHBondContact O-N 3.48Å; V92-T95 PolarHBondContact O-OG1 3.43Å; L93-T95 PolarHBondContact O-N 3.33Å; T95-V97 VanDerWaalsContact OG1-CG2 3.24Å; T95-V97 WeakPolarHBondContact OG1-CG2 3.39Å |
| 96 | G | 88 | Confident | 91.3 | Very high | 11 Ų | 11 | 43 Ų | 43 | 11% | 0.113 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | A2 L93 A94 R192 | A2-G96 VanDerWaalsContact O-CA 3.25Å; A2-G96 WeakPolarHBondContact O-CA 3.1Å; L93-G96 PolarHBondContact O-N 3.05Å; A94-G96 PolarHBondContact O-N 2.74Å; G96-R192 PolarHBondContact O-NH2 3.35Å; G96-R192 VanDerWaalsContact O-NH2 3.1Å |
| 97 | V | 89.2 | Confident | 91.3 | Very high | 17 Ų | 17 | 40.3 Ų | 40.3 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | trans | -77.3 | 133 | 177 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | G4 D32 Q34 V92 T95 | G4-V97 WeakPolarHBondContact CA-O 3.47Å; D32-V97 HydrophobicContact CB-CG2 4.08Å; Q34-V97 HydrophobicContact CB-CG1 4.2Å; Q34-V97 HydrophobicContact CG-CG1 3.8Å; V92-V97 HydrophobicContact CG1-CB 3.88Å; V92-V97 HydrophobicContact CG1-CG1 3.87Å; T95-V97 VanDerWaalsContact OG1-CG2 3.24Å; T95-V97 WeakPolarHBondContact OG1-CG2 3.39Å | ||
| 98 | D | 92 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 140 | 173.8 | -60.8 | -25.5 | 0 | 0 | 0 | 110.4 | G4 T5 Y7 D32 T33 Q34 F100 R187 R192 | G4-D98 WeakPolarHBondContact CA-OD1 3.38Å; T5-D98 PolarHBondContact N-OD1 3.2Å; T5-D98 WeakPolarHBondContact O-CA 3.25Å; T5-D98 WeakPolarHBondContact O-CB 3.43Å; Y7-D98 HydrophobicContact CD2-CB 4.19Å; Y7-D98 HydrophobicContact CE2-CB 3.85Å; D32-D98 PolarHBondContact O-N 2.92Å; T33-D98 CarbonylContact C-O 3.53Å; T33-D98 VanDerWaalsContact CA-O 3.32Å; T33-D98 WeakPolarHBondContact CA-O 3.48Å; T33-D98 HydrophobicContact CG2-CB 4.32Å; Q34-D98 PolarHBondContact N-O 2.83Å; D98-F100 HydrophobicContact CB-CE2 4.44Å; D98-R187 IonicContact OD1-NH2 3.04Å; D98-R187 IonicContact OD2-CZ 3.61Å; D98-R187 IonicContact OD2-NE 3.9Å; D98-R187 PolarHBondContact OD2-NE 2.92Å; D98-R187 IonicContact OD2-NH2 3.9Å; D98-R187 PolarHBondContact OD2-NH2 3.42Å; D98-R192 IonicContact OD1-CZ 3.12Å; D98-R192 IonicContact OD1-NH1 3.93Å; D98-R192 PolarHBondContact OD1-NH1 3.37Å; D98-R192 IonicContact OD1-NH2 2.71Å; D98-R192 PolarHBondContact OD1-NH2 2.89Å; D98-R192 IonicContact OD2-NH1 2.72Å |
| 99 | V | 92.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133.4 | -177.5 | -177 | 0 | 0 | 0 | 0 | 110.3 | T5 L6 Y7 Q34 I89 V92 L93 L101 | T5-V99 PolarHBondContact O-N 2.99Å; L6-V99 HydrophobicContact CD1-CB 3.92Å; L6-V99 HydrophobicContact CD1-CG1 4.1Å; Y7-V99 PolarHBondContact N-O 2.66Å; Q34-V99 CarbonylContact O-C 3.59Å; Q34-V99 WeakPolarHBondContact O-CA 3.36Å; I89-V99 HydrophobicContact CD1-CB 4.48Å; I89-V99 HydrophobicContact CD1-CG1 3.58Å; V92-V99 HydrophobicContact CB-CG2 3.89Å; V92-V99 HydrophobicContact CG1-CG2 3.41Å; V92-V99 VanDerWaalsContact CG1-CG2 3.41Å; L93-V99 HydrophobicContact CD2-CB 4.15Å; L93-V99 HydrophobicContact CD2-CG2 3.86Å; L93-V99 HydrophobicContact CG-CG2 4.18Å; V99-L101 HydrophobicContact CG1-CD2 4.25Å |
| 100 | F | 93 | Very high | 92 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.3 | 175.1 | -68.2 | -95.2 | 0 | 0 | 0 | 110.6 | Y7 V9 L24 T33 Q34 V35 S36 D98 I183 | Y7-F100 HydrophobicContact CD1-CE1 4.41Å; Y7-F100 HydrophobicContact CD2-CD1 4.34Å; Y7-F100 AromaticContact CD2-CE1 3.74Å; Y7-F100 HydrophobicContact CD2-CE1 3.74Å; Y7-F100 HydrophobicContact CD2-CE2 4.03Å; Y7-F100 AromaticContact CD2-CZ 3.53Å; Y7-F100 HydrophobicContact CD2-CZ 3.53Å; Y7-F100 HydrophobicContact CE2-CZ 4.04Å; Y7-F100 HydrophobicContact CG-CD1 4.15Å; Y7-F100 AromaticContact CG-CE1 3.66Å; Y7-F100 HydrophobicContact CG-CE1 3.66Å; Y7-F100 AromaticContact CG-CZ 3.96Å; Y7-F100 HydrophobicContact CG-CZ 3.96Å; Y7-F100 CarbonylContact O-C 3.55Å; Y7-F100 WeakPolarHBondContact O-CA 3.14Å; V9-F100 HydrophobicContact CG2-CD1 3.99Å; L24-F100 HydrophobicContact CD2-CD1 4.25Å; L24-F100 HydrophobicContact CD2-CE1 3.63Å; L24-F100 HydrophobicContact CD2-CE2 3.99Å; L24-F100 HydrophobicContact CD2-CZ 3.51Å; T33-F100 HydrophobicContact CG2-CE2 3.72Å; Q34-F100 PolarHBondContact O-N 3.32Å; V35-F100 WeakPolarHBondContact CA-O 3.41Å; V35-F100 HydrophobicContact CG2-CB 4.31Å; S36-F100 PolarHBondContact N-O 3.23Å; S36-F100 VanDerWaalsContact N-O 3.13Å; D98-F100 HydrophobicContact CB-CE2 4.44Å; F100-I183 HydrophobicContact CE1-CD1 3.82Å; F100-I183 HydrophobicContact CE1-CG1 4.18Å; F100-I183 HydrophobicContact CZ-CD1 3.42Å; F100-I183 VanDerWaalsContact CZ-CD1 3.42Å; F100-I183 HydrophobicContact CZ-CG1 3.8Å |
| 101 | L | 93 | Very high | 92.1 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 116.7 | 172.8 | -55.8 | -173.8 | 0 | 0 | 0 | 109.5 | L6 Y7 I8 V9 T84 I89 V99 I103 I111 | L6-L101 HydrophobicContact CD1-CD1 3.78Å; L6-L101 HydrophobicContact CD1-CD2 4.19Å; L6-L101 HydrophobicContact CD1-CG 3.71Å; L6-L101 HydrophobicContact CD2-CD1 4.07Å; L6-L101 HydrophobicContact CG-CD1 4.17Å; L6-L101 HydrophobicContact CG-CG 4.46Å; Y7-L101 PolarHBondContact O-N 3.02Å; I8-L101 HydrophobicContact CG1-CD1 4.49Å; V9-L101 PolarHBondContact N-O 3.45Å; T84-L101 HydrophobicContact CG2-CD1 4.2Å; T84-L101 HydrophobicContact CG2-CD2 3.89Å; I89-L101 HydrophobicContact CD1-CD2 3.72Å; V99-L101 HydrophobicContact CG1-CD2 4.25Å; L101-I103 HydrophobicContact CB-CD1 4.28Å; L101-I103 HydrophobicContact CB-CG1 4.31Å; L101-I103 HydrophobicContact CB-CG2 4.4Å; L101-I103 HydrophobicContact CD1-CD1 4.46Å; L101-I103 PolarHBondContact O-N 3.39Å; L101-I111 HydrophobicContact CD1-CD1 3.09Å |
| 102 | D | 90.2 | Very high | 92.3 | Very high | 63 Ų | 63 | 31.2 Ų | 31.2 | 34% | 0.337 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 80.6 | 173.8 | -172.5 | -7.5 | 0 | 0 | 0 | 109.1 | K17 S18 I21 | K17-D102 WeakPolarHBondContact CD-OD1 3.38Å; K17-D102 WeakPolarHBondContact CE-OD1 3.26Å; K17-D102 WeakPolarHBondContact CG-OD1 3.37Å; K17-D102 IonicContact NZ-OD1 3.53Å; K17-D102 PolarHBondContact NZ-OD1 3.29Å; S18-D102 PolarHBondContact OG-OD2 2.94Å; I21-D102 HydrophobicContact CD1-CB 3.78Å |
| 103 | I | 90.6 | Very high | 92.5 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 10% | 0.097 | 19% | 0.193 | C | C | . | . | trans | -129 | 166.1 | -174.1 | 62.5 | 178.8 | 0 | 0 | 0 | 112.5 | I8 V9 S10 K17 E73 L101 I111 | I8-I103 HydrophobicContact CG2-CD1 3.82Å; I8-I103 HydrophobicContact CG2-CG1 3.78Å; V9-I103 PolarHBondContact O-N 3.45Å; V9-I103 VanDerWaalsContact O-O 3.11Å; S10-I103 WeakPolarHBondContact CA-O 3.5Å; S10-I103 WeakPolarHBondContact CB-O 3.41Å; S10-I103 PolarHBondContact OG-O 2.93Å; K17-I103 PolarHBondContact NZ-O 3.49Å; E73-I103 HydrophobicContact CG-CD1 4.14Å; L101-I103 HydrophobicContact CB-CD1 4.28Å; L101-I103 HydrophobicContact CB-CG1 4.31Å; L101-I103 HydrophobicContact CB-CG2 4.4Å; L101-I103 HydrophobicContact CD1-CD1 4.46Å; L101-I103 PolarHBondContact O-N 3.39Å; I103-I111 HydrophobicContact CD1-CD1 3.43Å; I103-I111 VanDerWaalsContact CD1-CD1 3.43Å; I103-I111 HydrophobicContact CD1-CG1 4.15Å | ||
| 104 | D | 91 | Very high | 92.6 | Very high | 58 Ų | 58 | 39.6 Ų | 39.6 | 31% | 0.31 | 21% | 0.206 | S | C | . | . | trans | -80.8 | -174.5 | 175.9 | 68.1 | 16.8 | 0 | 0 | 0 | 112.4 | S10 Q106 G107 A108 | S10-D104 PolarHBondContact OG-O 3.05Å; D104-Q106 PolarHBondContact OD1-N 3.25Å; D104-Q106 VanDerWaalsContact OD1-N 3.14Å; D104-Q106 PolarHBondContact OD1-OE1 2.83Å; D104-Q106 PolarHBondContact OD2-OE1 3.31Å; D104-G107 PolarHBondContact OD1-N 3.43Å; D104-A108 WeakPolarHBondContact O-CB 3.47Å; D104-A108 PolarHBondContact O-N 2.78Å | ||
| 105 | W | 93.1 | Very high | 92.7 | Very high | 54 Ų | 54 | 37.9 Ų | 37.9 | 21% | 0.205 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.1 | -30.9 | -176.6 | 69 | -94 | 0 | 0 | 0 | 113.4 | A108 Q109 H159 Y163 | W105-A108 PolarHBondContact O-N 2.78Å; W105-Q109 HydrophobicContact CE3-CG 4.41Å; W105-Q109 WeakPolarHBondContact O-CG 3.35Å; W105-Q109 PolarHBondContact O-N 2.79Å; W105-H159 HydrophobicContact CB-CB 3.77Å; W105-H159 AromaticContact CD1-CD2 3.67Å; W105-H159 HydrophobicContact CD2-CB 4.31Å; W105-H159 AromaticContact CD2-CD2 3.43Å; W105-H159 VanDerWaalsContact CD2-CD2 3.43Å; W105-H159 AromaticContact CD2-CE1 3.65Å; W105-H159 AromaticContact CD2-CG 3.54Å; W105-H159 AromaticContact CD2-ND1 3.68Å; W105-H159 AromaticContact CD2-NE2 3.52Å; W105-H159 AromaticContact CE2-CD2 3.49Å; W105-H159 VanDerWaalsContact CE2-CD2 3.49Å; W105-H159 AromaticContact CE2-CE1 3.77Å; W105-H159 AromaticContact CE2-NE2 3.27Å; W105-H159 VanDerWaalsContact CE2-NE2 3.27Å; W105-H159 AromaticContact CE3-CE1 3.46Å; W105-H159 VanDerWaalsContact CE3-CE1 3.46Å; W105-H159 AromaticContact CE3-CG 3.79Å; W105-H159 AromaticContact CE3-ND1 3.44Å; W105-H159 AromaticContact CE3-NE2 3.84Å; W105-H159 HydrophobicContact CG-CB 3.94Å; W105-H159 AromaticContact CG-CD2 3.56Å; W105-H159 AromaticContact CG-CG 3.63Å; W105-H159 AromaticContact CH2-CE1 3.6Å; W105-H159 AromaticContact CH2-NE2 3.76Å; W105-H159 AromaticContact CZ2-CE1 3.76Å; W105-H159 AromaticContact CZ2-NE2 3.42Å; W105-H159 WeakPolarHBondContact CZ2-NE2 3.32Å; W105-H159 AromaticContact CZ3-CE1 3.44Å; W105-H159 VanDerWaalsContact CZ3-CE1 3.44Å; W105-H159 WeakPolarHBondContact CZ3-CE1 3.14Å; W105-H159 AromaticContact CZ3-ND1 3.83Å; W105-H159 AromaticContact CZ3-NE2 3.95Å; W105-H159 AromaticContact NE1-CD2 3.59Å; W105-H159 AromaticContact NE1-NE2 3.76Å; W105-Y163 VanDerWaalsContact CA-OH 3.27Å; W105-Y163 WeakPolarHBondContact CA-OH 3.38Å |
| 106 | Q | 93.3 | Very high | 92.8 | Very high | 69 Ų | 69 | 38.3 Ų | 38.3 | 32% | 0.322 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.3 | -47.5 | 177.3 | -62.1 | 90 | -34.5 | 0 | 0 | 110.2 | D104 A108 Q109 Q110 | D104-Q106 PolarHBondContact OD1-N 3.25Å; D104-Q106 VanDerWaalsContact OD1-N 3.14Å; D104-Q106 PolarHBondContact OD1-OE1 2.83Å; D104-Q106 PolarHBondContact OD2-OE1 3.31Å; Q106-A108 VanDerWaalsContact C-N 3.32Å; Q106-A108 PolarHBondContact O-N 2.91Å; Q106-Q109 PolarHBondContact O-N 3.43Å; Q106-Q110 WeakPolarHBondContact O-CG 3.18Å; Q106-Q110 PolarHBondContact O-N 2.77Å |
| 107 | G | 93.6 | Very high | 93 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.4 | -46 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | D104 Q109 Q110 I111 | D104-G107 PolarHBondContact OD1-N 3.43Å; G107-Q109 VanDerWaalsContact C-N 3.31Å; G107-Q109 PolarHBondContact O-N 3.16Å; G107-Q110 WeakPolarHBondContact O-CB 3.3Å; G107-Q110 PolarHBondContact O-N 2.7Å; G107-Q110 VanDerWaalsContact O-N 3.14Å; G107-I111 WeakPolarHBondContact O-CG1 3.34Å; G107-I111 PolarHBondContact O-N 2.83Å |
| 108 | A | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.6 | -41.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I8 D104 W105 Q106 I111 R112 Y163 | I8-A108 HydrophobicContact CG2-CB 3.57Å; D104-A108 WeakPolarHBondContact O-CB 3.47Å; D104-A108 PolarHBondContact O-N 2.78Å; W105-A108 PolarHBondContact O-N 2.78Å; Q106-A108 VanDerWaalsContact C-N 3.32Å; Q106-A108 PolarHBondContact O-N 2.91Å; A108-I111 PolarHBondContact O-N 2.77Å; A108-R112 WeakPolarHBondContact O-CG 3.26Å; A108-R112 PolarHBondContact O-N 2.72Å; A108-Y163 HydrophobicContact CB-CE1 3.97Å; A108-Y163 WeakPolarHBondContact CB-OH 3.5Å |
| 109 | Q | 95.5 | Very high | 93.6 | Very high | 61 Ų | 61 | 46.9 Ų | 46.9 | 29% | 0.285 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60 | -47 | 175 | -79.6 | -177.1 | -9.9 | 0 | 0 | 112.3 | W105 Q106 G107 I111 R112 Q113 E162 | W105-Q109 HydrophobicContact CE3-CG 4.41Å; W105-Q109 WeakPolarHBondContact O-CG 3.35Å; W105-Q109 PolarHBondContact O-N 2.79Å; Q106-Q109 PolarHBondContact O-N 3.43Å; G107-Q109 VanDerWaalsContact C-N 3.31Å; G107-Q109 PolarHBondContact O-N 3.16Å; Q109-I111 VanDerWaalsContact C-N 3.34Å; Q109-I111 PolarHBondContact O-N 3.17Å; Q109-R112 VanDerWaalsContact CG-NH2 3.26Å; Q109-R112 PolarHBondContact O-N 3.04Å; Q109-Q113 WeakPolarHBondContact O-CG 3.26Å; Q109-Q113 PolarHBondContact O-N 3.25Å; Q109-E162 WeakPolarHBondContact CG-OE2 3.32Å; Q109-E162 PolarHBondContact NE2-OE1 2.74Å; Q109-E162 PolarHBondContact NE2-OE2 2.8Å |
| 110 | Q | 96.4 | Very high | 93.8 | Very high | 49 Ų | 49 | 46.7 Ų | 46.7 | 23% | 0.229 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.5 | -45.9 | 178.3 | -67 | 177.5 | 60.3 | 0 | 0 | 111.2 | E73 H74 Q106 G107 Q113 K114 | E73-Q110 HydrophobicContact CB-CB 3.89Å; H74-Q110 PolarHBondContact O-NE2 2.85Å; H74-Q110 VanDerWaalsContact O-NE2 3.1Å; Q106-Q110 WeakPolarHBondContact O-CG 3.18Å; Q106-Q110 PolarHBondContact O-N 2.77Å; G107-Q110 WeakPolarHBondContact O-CB 3.3Å; G107-Q110 PolarHBondContact O-N 2.7Å; G107-Q110 VanDerWaalsContact O-N 3.14Å; Q110-Q113 PolarHBondContact O-N 3.48Å; Q110-K114 PolarHBondContact O-N 2.81Å; Q110-K114 VanDerWaalsContact O-N 3.16Å |
| 111 | I | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.3 | -42.5 | -178.9 | -58.1 | -168.8 | 0 | 0 | 0 | 111.5 | L6 I8 L72 E73 L101 I103 G107 A108 Q109 Q113 K114 M115 | L6-I111 HydrophobicContact CD2-CG2 3.85Å; I8-I111 HydrophobicContact CD1-CB 3.8Å; I8-I111 HydrophobicContact CD1-CG2 3.6Å; I8-I111 HydrophobicContact CG1-CB 4.47Å; I8-I111 HydrophobicContact CG1-CG2 4.11Å; L72-I111 HydrophobicContact CB-CD1 4.23Å; L72-I111 HydrophobicContact CB-CG1 4Å; E73-I111 HydrophobicContact CB-CD1 4.24Å; E73-I111 HydrophobicContact CB-CG1 3.81Å; E73-I111 HydrophobicContact CG-CD1 3.69Å; E73-I111 HydrophobicContact CG-CG1 3.84Å; L101-I111 HydrophobicContact CD1-CD1 3.09Å; I103-I111 HydrophobicContact CD1-CD1 3.43Å; I103-I111 VanDerWaalsContact CD1-CD1 3.43Å; I103-I111 HydrophobicContact CD1-CG1 4.15Å; G107-I111 WeakPolarHBondContact O-CG1 3.34Å; G107-I111 PolarHBondContact O-N 2.83Å; A108-I111 PolarHBondContact O-N 2.77Å; Q109-I111 VanDerWaalsContact C-N 3.34Å; Q109-I111 PolarHBondContact O-N 3.17Å; I111-Q113 PolarHBondContact O-N 3.44Å; I111-K114 CarbonylContact O-C 3.53Å; I111-K114 PolarHBondContact O-N 2.89Å; I111-K114 VanDerWaalsContact O-N 3.08Å; I111-M115 HydrophobicContact CG2-CB 4.27Å; I111-M115 WeakPolarHBondContact O-CA 3.36Å; I111-M115 PolarHBondContact O-N 2.92Å |
| 112 | R | 95.1 | Very high | 94.3 | Very high | 53 Ų | 53 | 46.7 Ų | 46.7 | 20% | 0.2 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.6 | -31.9 | 178.4 | -73.7 | -169.7 | -50.9 | -100.6 | -2.5 | 112.4 | I8 A108 Q109 E162 | I8-R112 HydrophobicContact CD1-CG 3.91Å; A108-R112 WeakPolarHBondContact O-CG 3.26Å; A108-R112 PolarHBondContact O-N 2.72Å; Q109-R112 VanDerWaalsContact CG-NH2 3.26Å; Q109-R112 PolarHBondContact O-N 3.04Å; R112-E162 IonicContact CZ-OE2 3.78Å; R112-E162 PolarHBondContact NE-O 2.58Å; R112-E162 PolarHBondContact NH1-O 2.97Å; R112-E162 IonicContact NH2-OE2 3.36Å; R112-E162 PolarHBondContact NH2-OE2 3.26Å |
| 113 | Q | 93.3 | Very high | 94.7 | Very high | 152 Ų | 152 | 43.7 Ų | 43.7 | 71% | 0.71 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -69.4 | -42.5 | 173.7 | -68.7 | 173.2 | 11.2 | 0 | 0 | 112 | Q109 Q110 I111 | Q109-Q113 WeakPolarHBondContact O-CG 3.26Å; Q109-Q113 PolarHBondContact O-N 3.25Å; Q110-Q113 PolarHBondContact O-N 3.48Å; I111-Q113 PolarHBondContact O-N 3.44Å |
| 114 | K | 93.8 | Very high | 95 | Very high | 66 Ų | 66 | 44.2 Ų | 44.2 | 29% | 0.287 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -84 | -25.4 | -176.7 | -64.9 | -174.3 | -171.6 | -164.1 | 0 | 114.2 | D69 F71 L72 Q110 I111 | D69-K114 IonicContact OD1-NZ 3.99Å; D69-K114 PolarHBondContact OD1-NZ 2.91Å; F71-K114 PolarHBondContact O-NZ 2.71Å; L72-K114 HydrophobicContact CD2-CB 4.09Å; L72-K114 WeakPolarHBondContact O-CD 3.41Å; Q110-K114 PolarHBondContact O-N 2.81Å; Q110-K114 VanDerWaalsContact O-N 3.16Å; I111-K114 CarbonylContact O-C 3.53Å; I111-K114 PolarHBondContact O-N 2.89Å; I111-K114 VanDerWaalsContact O-N 3.08Å |
| 115 | M | 93.5 | Very high | 95.3 | Very high | 33 Ų | 33 | 42 Ų | 42 | 16% | 0.163 | 20% | 0.2 | C | C | . | . | trans | -136.3 | 76.8 | -179.3 | -65.9 | -170.7 | 79.4 | 0 | 0 | 110.9 | L6 L72 I89 L93 I111 H117 A118 | L6-M115 HydrophobicContact CD2-CE 4.04Å; L6-M115 HydrophobicContact CD2-SD 3.5Å; L6-M115 VanDerWaalsContact CD2-SD 3.5Å; L72-M115 HydrophobicContact CD1-SD 3.42Å; L72-M115 WeakPolarHBondContact CD1-SD 3.23Å; L72-M115 HydrophobicContact CD2-CG 3.68Å; L72-M115 HydrophobicContact CD2-SD 3.6Å; L72-M115 VanDerWaalsContact CD2-SD 3.6Å; L72-M115 HydrophobicContact CG-SD 4.15Å; I89-M115 HydrophobicContact CG2-CE 4.5Å; I89-M115 HydrophobicContact CG2-SD 4.36Å; L93-M115 HydrophobicContact CD1-CE 3.87Å; I111-M115 HydrophobicContact CG2-CB 4.27Å; I111-M115 WeakPolarHBondContact O-CA 3.36Å; I111-M115 PolarHBondContact O-N 2.92Å; M115-H117 PolarHBondContact O-N 3.01Å; M115-A118 HydrophobicContact CB-CB 4.45Å; M115-A118 VanDerWaalsContact O-CB 3.26Å; M115-A118 WeakPolarHBondContact O-CB 3.44Å; M115-A118 PolarHBondContact O-N 3.1Å | ||
| 116 | P | 91.5 | Very high | 95.4 | Very high | 93 Ų | 93 | 41.4 Ų | 41.4 | 60% | 0.604 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -14.4 | -178 | -23.9 | 34.7 | 0 | 0 | 0 | 115 | ||
| 117 | H | 92 | Very high | 95.4 | Very high | 161 Ų | 161 | 40.6 Ų | 40.6 | 75% | 0.745 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -5.4 | 176.5 | -60.2 | -49.1 | 0 | 0 | 0 | 113.7 | M115 R119 | M115-H117 PolarHBondContact O-N 3.01Å; H117-R119 PolarHBondContact O-NH1 3.46Å |
| 118 | A | 95.9 | Very high | 95.5 | Very high | 6 Ų | 6 | 46.9 Ų | 46.9 | 5% | 0.05 | 23% | 0.232 | C | C | . | . | trans | -60.7 | 157.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L6 I8 M115 | L6-A118 HydrophobicContact CB-CB 4.19Å; L6-A118 HydrophobicContact CD2-CB 4.15Å; L6-A118 HydrophobicContact CG-CB 4.31Å; L6-A118 CarbonylContact O-C 3.57Å; L6-A118 WeakPolarHBondContact O-CA 3.47Å; I8-A118 HydrophobicContact CD1-CB 3.82Å; I8-A118 HydrophobicContact CG1-CB 4.26Å; M115-A118 HydrophobicContact CB-CB 4.45Å; M115-A118 VanDerWaalsContact O-CB 3.26Å; M115-A118 WeakPolarHBondContact O-CB 3.44Å; M115-A118 PolarHBondContact O-N 3.1Å | ||
| 119 | R | 97 | Very high | 95.4 | Very high | 40 Ų | 40 | 53.7 Ų | 53.7 | 15% | 0.151 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 116.1 | 176.9 | -62.6 | -64.6 | 171.4 | -111.2 | -3.2 | 109.3 | T5 L6 Y7 I8 H117 Y165 E186 | T5-R119 HydrophobicContact CG2-CB 4.32Å; T5-R119 HydrophobicContact CG2-CG 3.75Å; L6-R119 PolarHBondContact O-N 3.16Å; Y7-R119 CarbonylContact C-O 3.6Å; Y7-R119 VanDerWaalsContact CA-O 3.25Å; Y7-R119 WeakPolarHBondContact CA-O 3.29Å; Y7-R119 HydrophobicContact CD1-CB 3.76Å; Y7-R119 HydrophobicContact CE1-CB 3.89Å; Y7-R119 HydrophobicContact CE1-CG 4.37Å; I8-R119 PolarHBondContact N-O 3.43Å; H117-R119 PolarHBondContact O-NH1 3.46Å; R119-Y165 HydrophobicContact CB-CE2 4.41Å; R119-E186 WeakPolarHBondContact CD-OE2 3.42Å; R119-E186 HydrophobicContact CG-CG 4.05Å; R119-E186 WeakPolarHBondContact CG-OE2 3.14Å; R119-E186 IonicContact CZ-OE2 2.63Å; R119-E186 IonicContact NE-OE1 3.58Å; R119-E186 IonicContact NE-OE2 3.86Å; R119-E186 PolarHBondContact NE-OE2 2.94Å; R119-E186 IonicContact NH2-OE2 2.73Å |
| 120 | S | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128.7 | -173 | 59.9 | 0 | 0 | 0 | 0 | 110.4 | I8 Y163 D164 Y165 | I8-S120 CarbonylContact O-C 3.57Å; I8-S120 WeakPolarHBondContact O-CA 3.29Å; S120-Y163 WeakPolarHBondContact OG-CA 3.33Å; S120-D164 PolarHBondContact N-OD2 3.34Å; S120-D164 WeakPolarHBondContact O-CB 3.5Å; S120-D164 PolarHBondContact O-N 3.14Å; S120-D164 VanDerWaalsContact O-N 3.07Å; S120-D164 VanDerWaalsContact OG-CG 3.31Å; S120-D164 PolarHBondContact OG-N 2.73Å; S120-D164 PolarHBondContact OG-OD2 3.4Å; S120-Y165 PolarHBondContact O-N 3.31Å |
| 121 | I | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 121.9 | -177.6 | -53.2 | 174.6 | 0 | 0 | 0 | 108 | Y7 I8 V9 S10 Y165 I167 L179 I182 | Y7-I121 HydrophobicContact CD1-CD1 4Å; I8-I121 PolarHBondContact O-N 3.4Å; V9-I121 WeakPolarHBondContact CA-O 3.42Å; S10-I121 PolarHBondContact N-O 3.08Å; I121-Y165 WeakPolarHBondContact CA-O 3.38Å; I121-Y165 HydrophobicContact CG1-CD2 4.06Å; I121-Y165 HydrophobicContact CG1-CG 4.5Å; I121-I167 HydrophobicContact CG2-CD1 3.88Å; I121-I167 HydrophobicContact CG2-CG1 4.17Å; I121-L179 HydrophobicContact CD1-CD1 3.61Å; I121-I182 HydrophobicContact CD1-CD1 4.43Å; I121-I182 HydrophobicContact CD1-CG2 3.92Å; I121-I182 HydrophobicContact CG1-CG2 4.45Å; I121-I182 HydrophobicContact CG2-CD1 4.47Å |
| 122 | F | 98.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 137.1 | 171.8 | -155 | -98.2 | 0 | 0 | 0 | 110.7 | S10 L124 E156 Y163 Y165 L166 I167 | S10-F122 CarbonylContact O-C 3.59Å; S10-F122 VanDerWaalsContact O-CA 3.31Å; S10-F122 WeakPolarHBondContact O-CA 3.29Å; F122-L124 HydrophobicContact CD1-CD2 4.07Å; F122-L124 HydrophobicContact CD1-CG 4.12Å; F122-L124 HydrophobicContact CE1-CD2 3.7Å; F122-L124 HydrophobicContact CE1-CG 4.26Å; F122-E156 WeakPolarHBondContact CZ-O 3.49Å; F122-Y163 HydrophobicContact CB-CD1 3.98Å; F122-Y163 HydrophobicContact CB-CD2 3.96Å; F122-Y163 HydrophobicContact CB-CG 3.69Å; F122-Y163 HydrophobicContact CD2-CD1 4.18Å; F122-Y163 AromaticContact CD2-CD2 3.66Å; F122-Y163 HydrophobicContact CD2-CD2 3.66Å; F122-Y163 AromaticContact CD2-CE1 3.95Å; F122-Y163 HydrophobicContact CD2-CE1 3.95Å; F122-Y163 AromaticContact CD2-CE2 3.4Å; F122-Y163 HydrophobicContact CD2-CE2 3.4Å; F122-Y163 HydrophobicContact CD2-CG 4.07Å; F122-Y163 AromaticContact CD2-CZ 3.55Å; F122-Y163 AromaticContact CE2-CE2 3.95Å; F122-Y163 HydrophobicContact CE2-CE2 3.95Å; F122-Y163 HydrophobicContact CG-CD2 4.14Å; F122-Y163 HydrophobicContact CG-CE2 4.32Å; F122-Y163 HydrophobicContact CG-CG 4.33Å; F122-Y165 PolarHBondContact N-O 3.42Å; F122-L166 HydrophobicContact CB-CD1 3.99Å; F122-L166 HydrophobicContact CD1-CD1 4.03Å; F122-L166 WeakPolarHBondContact O-CA 3.39Å; F122-I167 PolarHBondContact O-N 3.23Å |
| 123 | I | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.8 | 176.8 | -57.3 | 163.3 | 0 | 0 | 0 | 109.1 | V9 S10 A11 P12 A15 K17 L20 I167 N169 | V9-I123 HydrophobicContact CG1-CD1 3.54Å; V9-I123 HydrophobicContact CG1-CG1 4.28Å; S10-I123 PolarHBondContact O-N 3.21Å; A11-I123 HydrophobicContact CB-CB 3.79Å; A11-I123 WeakPolarHBondContact CB-O 3.35Å; P12-I123 WeakPolarHBondContact CD-O 3.43Å; A15-I123 HydrophobicContact CB-CG2 4.33Å; K17-I123 HydrophobicContact CB-CD1 4.15Å; K17-I123 HydrophobicContact CG-CD1 4.42Å; L20-I123 HydrophobicContact CD1-CD1 3.8Å; L20-I123 HydrophobicContact CD1-CG1 4.43Å; L20-I123 HydrophobicContact CD1-CG2 4.05Å; I123-I167 CarbonylContact C-O 3.53Å; I123-I167 WeakPolarHBondContact CA-O 3.49Å; I123-I167 HydrophobicContact CG1-CB 4.48Å; I123-N169 HydrophobicContact CG2-CB 3.75Å |
| 124 | L | 97.5 | Very high | 94.5 | Very high | 31 Ų | 31 | 53 Ų | 53 | 16% | 0.162 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 149.8 | 172.7 | -74.5 | 176.1 | 0 | 0 | 0 | 111.7 | F122 M157 L166 I167 V168 N169 | F122-L124 HydrophobicContact CD1-CD2 4.07Å; F122-L124 HydrophobicContact CD1-CG 4.12Å; F122-L124 HydrophobicContact CE1-CD2 3.7Å; F122-L124 HydrophobicContact CE1-CG 4.26Å; L124-M157 HydrophobicContact CD2-CB 4.08Å; L124-M157 HydrophobicContact CD2-CG 3.58Å; L124-M157 HydrophobicContact CD2-SD 3.71Å; L124-L166 HydrophobicContact CD1-CD1 3.72Å; L124-L166 HydrophobicContact CD1-CD2 4.08Å; L124-L166 HydrophobicContact CD1-CG 4.32Å; L124-L166 HydrophobicContact CG-CD1 3.8Å; L124-I167 PolarHBondContact N-O 3.42Å; L124-V168 HydrophobicContact CB-CG2 4.46Å; L124-N169 PolarHBondContact O-N 2.67Å |
| 125 | P | 95.8 | Very high | 94.2 | Very high | 12 Ų | 12 | 49.9 Ų | 49.9 | 8% | 0.078 | 25% | 0.245 | C | C | . | . | trans | -71.6 | 160.9 | 161.5 | 34.8 | -34.5 | 0 | 0 | 0 | 110.2 | S127 L131 M157 | P125-S127 VanDerWaalsContact C-N 3.29Å; P125-S127 PolarHBondContact O-N 2.83Å; P125-L131 HydrophobicContact CB-CB 4.08Å; P125-L131 HydrophobicContact CB-CD1 4.25Å; P125-L131 HydrophobicContact CG-CB 4.02Å; P125-L131 HydrophobicContact CG-CD1 4.12Å; P125-L131 HydrophobicContact CG-CD2 4.18Å; P125-L131 HydrophobicContact CG-CG 4.34Å; P125-M157 HydrophobicContact CG-SD 3.88Å | ||
| 126 | P | 95.3 | Very high | 94 | Very high | 41 Ų | 41 | 52.6 Ų | 52.6 | 27% | 0.266 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -71.5 | -26.4 | 179.5 | 29 | -34.8 | 0 | 0 | 0 | 113 | E130 V168 N169 D170 | P126-E130 HydrophobicContact CG-CB 3.81Å; P126-E130 HydrophobicContact CG-CG 3.71Å; P126-V168 HydrophobicContact CB-CG1 4.39Å; P126-N169 WeakPolarHBondContact CD-O 3.42Å; P126-D170 HydrophobicContact CB-CB 3.66Å; P126-D170 WeakPolarHBondContact CB-OD1 3.44Å; P126-D170 HydrophobicContact CG-CB 4.33Å; P126-D170 WeakPolarHBondContact CG-OD1 3.39Å |
| 127 | S | 95.1 | Very high | 93.7 | Very high | 51 Ų | 51 | 51.5 Ų | 51.5 | 36% | 0.357 | 26% | 0.259 | S | S | . | . | trans | -159.6 | 163.8 | 177.6 | 69.3 | 0 | 0 | 0 | 0 | 111.2 | P125 I129 E130 L131 | P125-S127 VanDerWaalsContact C-N 3.29Å; P125-S127 PolarHBondContact O-N 2.83Å; S127-I129 VanDerWaalsContact C-N 3.26Å; S127-I129 PolarHBondContact O-N 2.93Å; S127-I129 PolarHBondContact OG-N 3.44Å; S127-E130 PolarHBondContact O-N 3.36Å; S127-E130 PolarHBondContact OG-N 2.9Å; S127-L131 WeakPolarHBondContact O-CB 3.36Å; S127-L131 PolarHBondContact O-N 3.07Å | ||
| 128 | K | 93.8 | Very high | 92.7 | Very high | 134 Ų | 134 | 51 Ų | 51 | 58% | 0.583 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -63.2 | -33.8 | 170.5 | -67.6 | -174.1 | 178.2 | -179.5 | 0 | 112.3 | L131 D132 | K128-L131 PolarHBondContact O-N 2.87Å; K128-D132 WeakPolarHBondContact O-CB 2.84Å; K128-D132 PolarHBondContact O-N 3.38Å |
| 129 | I | 93.9 | Very high | 91.4 | Very high | 142 Ų | 142 | 52.4 Ų | 52.4 | 73% | 0.728 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.4 | -46.3 | 178.8 | -63.3 | 172.6 | 0 | 0 | 0 | 109.8 | S127 D132 R133 | S127-I129 VanDerWaalsContact C-N 3.26Å; S127-I129 PolarHBondContact O-N 2.93Å; S127-I129 PolarHBondContact OG-N 3.44Å; I129-D132 WeakPolarHBondContact O-CB 3.07Å; I129-D132 PolarHBondContact O-N 3.42Å; I129-R133 PolarHBondContact O-N 2.92Å |
| 130 | E | 93.2 | Very high | 90 | Very high | 36 Ų | 36 | 60.4 Ų | 60.4 | 17% | 0.168 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.7 | -37.4 | 178.4 | -179.9 | 56.8 | -165.7 | 0 | 0 | 111.7 | P126 S127 D132 R133 R134 | P126-E130 HydrophobicContact CG-CB 3.81Å; P126-E130 HydrophobicContact CG-CG 3.71Å; S127-E130 PolarHBondContact O-N 3.36Å; S127-E130 PolarHBondContact OG-N 2.9Å; E130-D132 VanDerWaalsContact C-N 3.34Å; E130-D132 PolarHBondContact O-N 2.91Å; E130-R133 PolarHBondContact O-N 3.49Å; E130-R133 IonicContact OE1-CZ 2.77Å; E130-R133 IonicContact OE1-NE 2.72Å; E130-R133 IonicContact OE1-NH2 3.5Å; E130-R133 PolarHBondContact OE1-NH2 3.23Å; E130-R133 IonicContact OE2-CZ 3.91Å; E130-R133 IonicContact OE2-NE 2.78Å; E130-R133 PolarHBondContact OE2-NE 3.46Å; E130-R133 IonicContact OE2-NH2 3.83Å; E130-R133 PolarHBondContact OE2-NH2 2.98Å; E130-R134 HydrophobicContact CG-CG 4.47Å; E130-R134 WeakPolarHBondContact O-CB 3.18Å; E130-R134 VanDerWaalsContact O-CG 3.24Å; E130-R134 WeakPolarHBondContact O-CG 3.41Å; E130-R134 PolarHBondContact O-N 3.43Å; E130-R134 IonicContact OE1-CZ 2.77Å; E130-R134 IonicContact OE1-NE 3.74Å; E130-R134 PolarHBondContact OE1-NE 3.45Å; E130-R134 IonicContact OE1-NH2 2.74Å |
| 131 | L | 92.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 172.6 | -176.5 | 64.8 | 0 | 0 | 0 | 111.6 | S13 P125 S127 K128 R134 L135 M150 A153 M157 | S13-L131 VanDerWaalsContact O-CD1 3.23Å; S13-L131 WeakPolarHBondContact O-CD1 3.24Å; P125-L131 HydrophobicContact CB-CB 4.08Å; P125-L131 HydrophobicContact CB-CD1 4.25Å; P125-L131 HydrophobicContact CG-CB 4.02Å; P125-L131 HydrophobicContact CG-CD1 4.12Å; P125-L131 HydrophobicContact CG-CD2 4.18Å; P125-L131 HydrophobicContact CG-CG 4.34Å; S127-L131 WeakPolarHBondContact O-CB 3.36Å; S127-L131 PolarHBondContact O-N 3.07Å; K128-L131 PolarHBondContact O-N 2.87Å; L131-R134 PolarHBondContact O-N 3.17Å; L131-L135 HydrophobicContact CG-CD1 4.27Å; L131-L135 WeakPolarHBondContact O-CG 3.36Å; L131-L135 PolarHBondContact O-N 2.85Å; L131-M150 HydrophobicContact CB-CE 4.32Å; L131-M150 HydrophobicContact CD2-CE 4.22Å; L131-M150 HydrophobicContact CD2-SD 3.76Å; L131-M150 HydrophobicContact CG-CE 4.14Å; L131-M150 HydrophobicContact CG-SD 4.34Å; L131-A153 HydrophobicContact CD2-CB 3.84Å; L131-M157 HydrophobicContact CD2-CE 3.87Å |
| 132 | D | 92 | Very high | 88.5 | Confident | 47 Ų | 47 | 66 Ų | 66 | 25% | 0.251 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 177.7 | -172.9 | 74.4 | 0 | 0 | 0 | 110.9 | K128 I129 E130 R134 L135 R136 M150 | K128-D132 WeakPolarHBondContact O-CB 2.84Å; K128-D132 PolarHBondContact O-N 3.38Å; I129-D132 WeakPolarHBondContact O-CB 3.07Å; I129-D132 PolarHBondContact O-N 3.42Å; E130-D132 VanDerWaalsContact C-N 3.34Å; E130-D132 PolarHBondContact O-N 2.91Å; D132-R134 VanDerWaalsContact C-N 3.31Å; D132-R134 PolarHBondContact O-N 3.37Å; D132-L135 PolarHBondContact O-N 2.85Å; D132-R136 WeakPolarHBondContact O-CG 3.48Å; D132-R136 PolarHBondContact O-N 3.38Å; D132-R136 IonicContact OD1-NE 3.4Å; D132-R136 IonicContact OD1-NH2 3.84Å; D132-R136 WeakPolarHBondContact OD2-CD 3.44Å; D132-R136 IonicContact OD2-CZ 3.69Å; D132-R136 IonicContact OD2-NE 3.51Å; D132-R136 PolarHBondContact OD2-NE 2.63Å; D132-R136 IonicContact OD2-NH2 3.86Å; D132-M150 VanDerWaalsContact CA-CE 3.41Å; D132-M150 HydrophobicContact CB-CE 3.45Å; D132-M150 VanDerWaalsContact CB-CE 3.45Å |
| 133 | R | 91.2 | Very high | 88.1 | Confident | 162 Ų | 162 | 71.8 Ų | 71.8 | 61% | 0.611 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -55.5 | -45.7 | 175.2 | -168 | -177.4 | 77.9 | 115.1 | 2.7 | 111.7 | I129 E130 R136 G137 | I129-R133 PolarHBondContact O-N 2.92Å; E130-R133 PolarHBondContact O-N 3.49Å; E130-R133 IonicContact OE1-CZ 2.77Å; E130-R133 IonicContact OE1-NE 2.72Å; E130-R133 IonicContact OE1-NH2 3.5Å; E130-R133 PolarHBondContact OE1-NH2 3.23Å; E130-R133 IonicContact OE2-CZ 3.91Å; E130-R133 IonicContact OE2-NE 2.78Å; E130-R133 PolarHBondContact OE2-NE 3.46Å; E130-R133 IonicContact OE2-NH2 3.83Å; E130-R133 PolarHBondContact OE2-NH2 2.98Å; R133-R136 PolarHBondContact O-N 3.3Å; R133-G137 PolarHBondContact O-N 2.86Å |
| 134 | R | 88.9 | Confident | 87.8 | Confident | 57 Ų | 57 | 79.6 Ų | 79.6 | 22% | 0.215 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67.9 | -36.1 | 179.2 | -70.9 | 175.7 | -172.6 | -176.8 | 4.6 | 112.6 | G14 E130 L131 D132 N169 | G14-R134 WeakPolarHBondContact O-CD 3.4Å; E130-R134 HydrophobicContact CG-CG 4.47Å; E130-R134 WeakPolarHBondContact O-CB 3.18Å; E130-R134 VanDerWaalsContact O-CG 3.24Å; E130-R134 WeakPolarHBondContact O-CG 3.41Å; E130-R134 PolarHBondContact O-N 3.43Å; E130-R134 IonicContact OE1-CZ 2.77Å; E130-R134 IonicContact OE1-NE 3.74Å; E130-R134 PolarHBondContact OE1-NE 3.45Å; E130-R134 IonicContact OE1-NH2 2.74Å; L131-R134 PolarHBondContact O-N 3.17Å; D132-R134 VanDerWaalsContact C-N 3.31Å; D132-R134 PolarHBondContact O-N 3.37Å; R134-N169 PolarHBondContact NH1-O 2.93Å; R134-N169 PolarHBondContact NH2-O 2.84Å |
| 135 | L | 87.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -67.6 | -44.9 | 175.7 | -72 | 175 | 0 | 0 | 0 | 111.3 | S13 L131 D132 G137 R138 R149 M150 | S13-L135 WeakPolarHBondContact O-CD2 3.38Å; S13-L135 WeakPolarHBondContact OG-CD2 3.32Å; L131-L135 HydrophobicContact CG-CD1 4.27Å; L131-L135 WeakPolarHBondContact O-CG 3.36Å; L131-L135 PolarHBondContact O-N 2.85Å; D132-L135 PolarHBondContact O-N 2.85Å; L135-G137 PolarHBondContact O-N 2.98Å; L135-R138 PolarHBondContact O-N 3.25Å; L135-R149 HydrophobicContact CD1-CB 4.23Å; L135-R149 HydrophobicContact CD2-CB 4.49Å; L135-M150 HydrophobicContact CD1-CB 4.49Å; L135-M150 HydrophobicContact CD1-CE 4.11Å |
| 136 | R | 88.4 | Confident | 87 | Confident | 89 Ų | 89 | 80.8 Ų | 80.8 | 34% | 0.336 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.4 | -37.6 | 175.9 | -70.9 | 174.7 | -176 | -83.1 | -4.7 | 112.9 | D132 R133 R138 E143 I146 | D132-R136 WeakPolarHBondContact O-CG 3.48Å; D132-R136 PolarHBondContact O-N 3.38Å; D132-R136 IonicContact OD1-NE 3.4Å; D132-R136 IonicContact OD1-NH2 3.84Å; D132-R136 WeakPolarHBondContact OD2-CD 3.44Å; D132-R136 IonicContact OD2-CZ 3.69Å; D132-R136 IonicContact OD2-NE 3.51Å; D132-R136 PolarHBondContact OD2-NE 2.63Å; D132-R136 IonicContact OD2-NH2 3.86Å; R133-R136 PolarHBondContact O-N 3.3Å; R136-R138 PolarHBondContact O-N 2.77Å; R136-E143 IonicContact CZ-OE1 3.7Å; R136-E143 IonicContact CZ-OE2 3.37Å; R136-E143 VanDerWaalsContact NH1-CD 3.26Å; R136-E143 IonicContact NH1-OE1 2.68Å; R136-E143 PolarHBondContact NH1-OE1 2.98Å; R136-E143 IonicContact NH1-OE2 3.08Å; R136-E143 PolarHBondContact NH1-OE2 3.17Å; R136-E143 VanDerWaalsContact NH1-OE2 3.08Å; R136-E143 IonicContact NH2-OE1 3.85Å; R136-E143 IonicContact NH2-OE2 2.76Å; R136-E143 PolarHBondContact NH2-OE2 3.14Å; R136-I146 HydrophobicContact CG-CD1 3.76Å; R136-I146 HydrophobicContact CG-CG1 4.27Å; R136-I146 HydrophobicContact CG-CG2 4.11Å |
| 137 | G | 84.9 | Confident | 86.8 | Confident | 70 Ų | 70 | 81.7 Ų | 81.7 | 72% | 0.722 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -15.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R133 L135 | R133-G137 PolarHBondContact O-N 2.86Å; L135-G137 PolarHBondContact O-N 2.98Å |
| 138 | R | 72.6 | Confident | 86.6 | Confident | 151 Ų | 151 | 86.8 Ų | 86.8 | 57% | 0.57 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -9.5 | -177.6 | -76.8 | -176.4 | 177.4 | -163.8 | -2.1 | 114.6 | L135 R136 | L135-R138 PolarHBondContact O-N 3.25Å; R136-R138 PolarHBondContact O-N 2.77Å |
| 139 | G | 68.1 | Low | 86.4 | Confident | 35 Ų | 35 | 83.2 Ų | 83.2 | 36% | 0.361 | 42% | 0.42 | S | S | . | . | trans | 173.9 | 171.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D141 | G139-D141 PolarHBondContact O-N 2.98Š| ||
| 140 | Q | 66.6 | Low | 86.4 | Confident | 208 Ų | 208 | 78 Ų | 78 | 97% | 0.972 | 39% | 0.393 | S | S | * | . | trans | -82.6 | 51.4 | 172.2 | -66.4 | -179.6 | -6 | 0 | 0 | 110.7 | ||||
| 141 | D | 79.6 | Confident | 86.3 | Confident | 57 Ų | 57 | 79.2 Ų | 79.2 | 31% | 0.305 | 41% | 0.41 | S | S | . | . | trans | -66.4 | 145.1 | 175.4 | -74.4 | -16.1 | 0 | 0 | 0 | 109.5 | G139 V145 I146 R149 | G139-D141 PolarHBondContact O-N 2.98Å; D141-V145 HydrophobicContact CB-CB 4.11Å; D141-V145 HydrophobicContact CB-CG1 3.82Å; D141-I146 HydrophobicContact CB-CD1 4.31Å; D141-I146 HydrophobicContact CB-CG1 3.87Å; D141-I146 WeakPolarHBondContact O-CD1 3.35Å; D141-R149 IonicContact OD2-CZ 2.97Å; D141-R149 IonicContact OD2-NH1 2.7Å; D141-R149 PolarHBondContact OD2-NH1 3.15Å | ||
| 142 | S | 86 | Confident | 86.3 | Confident | 62 Ų | 62 | 84.3 Ų | 84.3 | 43% | 0.434 | 43% | 0.433 | S | S | . | . | trans | -66.9 | 157.7 | 172.7 | 67.9 | 0 | 0 | 0 | 0 | 111 | E144 V145 I146 | S142-E144 PolarHBondContact O-N 3.07Å; S142-E144 VanDerWaalsContact O-N 3.16Å; S142-V145 PolarHBondContact O-N 2.77Å; S142-V145 WeakPolarHBondContact OG-CG2 3.17Å; S142-V145 PolarHBondContact OG-N 2.87Å; S142-I146 WeakPolarHBondContact O-CG1 3.38Å; S142-I146 PolarHBondContact O-N 2.75Å | ||
| 143 | E | 89.8 | Confident | 86.3 | Confident | 123 Ų | 123 | 82 Ų | 82 | 58% | 0.575 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -53.5 | -36.6 | 174.8 | -68.4 | -58.8 | 139.7 | 0 | 0 | 112.5 | R136 I146 A147 | R136-E143 IonicContact CZ-OE1 3.7Å; R136-E143 IonicContact CZ-OE2 3.37Å; R136-E143 VanDerWaalsContact NH1-CD 3.26Å; R136-E143 IonicContact NH1-OE1 2.68Å; R136-E143 PolarHBondContact NH1-OE1 2.98Å; R136-E143 IonicContact NH1-OE2 3.08Å; R136-E143 PolarHBondContact NH1-OE2 3.17Å; R136-E143 VanDerWaalsContact NH1-OE2 3.08Å; R136-E143 IonicContact NH2-OE1 3.85Å; R136-E143 IonicContact NH2-OE2 2.76Å; R136-E143 PolarHBondContact NH2-OE2 3.14Å; E143-I146 PolarHBondContact O-N 2.93Å; E143-A147 WeakPolarHBondContact O-CB 3.35Å; E143-A147 PolarHBondContact O-N 3.03Å |
| 144 | E | 90.6 | Very high | 86.5 | Confident | 164 Ų | 164 | 76.9 Ų | 76.9 | 77% | 0.766 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.2 | -43.1 | 177 | -172.2 | -179 | 179.4 | 0 | 0 | 112.1 | S142 A147 K148 | S142-E144 PolarHBondContact O-N 3.07Å; S142-E144 VanDerWaalsContact O-N 3.16Å; E144-A147 PolarHBondContact O-N 3.49Å; E144-K148 PolarHBondContact O-N 3.4Å |
| 145 | V | 88.1 | Confident | 86.7 | Confident | 61 Ų | 61 | 76.8 Ų | 76.8 | 37% | 0.37 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | D141 S142 K148 R149 | D141-V145 HydrophobicContact CB-CB 4.11Å; D141-V145 HydrophobicContact CB-CG1 3.82Å; S142-V145 PolarHBondContact O-N 2.77Å; S142-V145 WeakPolarHBondContact OG-CG2 3.17Å; S142-V145 PolarHBondContact OG-N 2.87Å; V145-K148 PolarHBondContact O-N 3.41Å; V145-R149 HydrophobicContact CG1-CG 4.42Å; V145-R149 VanDerWaalsContact O-CG 3.28Å; V145-R149 WeakPolarHBondContact O-CG 3.15Å; V145-R149 PolarHBondContact O-N 3.46Å |
| 146 | I | 88.4 | Confident | 87 | Confident | 6 Ų | 6 | 78 Ų | 78 | 3% | 0.031 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 177 | -66.7 | 156 | 0 | 0 | 0 | 110.7 | R136 D141 S142 E143 K148 R149 M150 | R136-I146 HydrophobicContact CG-CD1 3.76Å; R136-I146 HydrophobicContact CG-CG1 4.27Å; R136-I146 HydrophobicContact CG-CG2 4.11Å; D141-I146 HydrophobicContact CB-CD1 4.31Å; D141-I146 HydrophobicContact CB-CG1 3.87Å; D141-I146 WeakPolarHBondContact O-CD1 3.35Å; S142-I146 WeakPolarHBondContact O-CG1 3.38Å; S142-I146 PolarHBondContact O-N 2.75Å; E143-I146 PolarHBondContact O-N 2.93Å; I146-K148 VanDerWaalsContact C-N 3.33Å; I146-K148 PolarHBondContact O-N 3.47Å; I146-R149 PolarHBondContact O-N 3.22Å; I146-M150 WeakPolarHBondContact O-CB 3.37Å; I146-M150 PolarHBondContact O-N 2.81Å |
| 147 | A | 91.3 | Very high | 87.3 | Confident | 61 Ų | 61 | 75 Ų | 75 | 50% | 0.504 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E143 E144 M150 A151 | E143-A147 WeakPolarHBondContact O-CB 3.35Å; E143-A147 PolarHBondContact O-N 3.03Å; E144-A147 PolarHBondContact O-N 3.49Å; A147-M150 PolarHBondContact O-N 3.19Å; A147-A151 WeakPolarHBondContact O-CB 3.46Å; A147-A151 PolarHBondContact O-N 3.32Å |
| 148 | K | 91.3 | Very high | 87.8 | Confident | 158 Ų | 158 | 75.5 Ų | 75.5 | 69% | 0.687 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.4 | -44.6 | 175.7 | -173.5 | 177.4 | 179.9 | 179 | 0 | 112 | E144 V145 I146 M150 A151 Q152 | E144-K148 PolarHBondContact O-N 3.4Å; V145-K148 PolarHBondContact O-N 3.41Å; I146-K148 VanDerWaalsContact C-N 3.33Å; I146-K148 PolarHBondContact O-N 3.47Å; K148-M150 VanDerWaalsContact C-N 3.34Å; K148-A151 PolarHBondContact O-N 2.96Å; K148-Q152 PolarHBondContact O-N 2.74Å |
| 149 | R | 90.4 | Very high | 88.9 | Confident | 59 Ų | 59 | 70 Ų | 70 | 22% | 0.223 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.2 | -39 | 177 | -70.3 | 178.6 | 73.7 | -171.9 | -0.3 | 111.9 | S13 L135 D141 V145 I146 Q152 A153 | S13-R149 PolarHBondContact OG-NH2 3.34Å; L135-R149 HydrophobicContact CD1-CB 4.23Å; L135-R149 HydrophobicContact CD2-CB 4.49Å; D141-R149 IonicContact OD2-CZ 2.97Å; D141-R149 IonicContact OD2-NH1 2.7Å; D141-R149 PolarHBondContact OD2-NH1 3.15Å; V145-R149 HydrophobicContact CG1-CG 4.42Å; V145-R149 VanDerWaalsContact O-CG 3.28Å; V145-R149 WeakPolarHBondContact O-CG 3.15Å; V145-R149 PolarHBondContact O-N 3.46Å; I146-R149 PolarHBondContact O-N 3.22Å; R149-Q152 PolarHBondContact O-N 2.9Å; R149-A153 VanDerWaalsContact O-CB 3.29Å; R149-A153 WeakPolarHBondContact O-CB 3.44Å; R149-A153 PolarHBondContact O-N 3.29Å |
| 150 | M | 92.2 | Very high | 90.3 | Very high | 31 Ų | 31 | 73.8 Ų | 73.8 | 15% | 0.153 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 174.6 | 179.7 | 58.7 | 69.8 | 0 | 0 | 111.5 | L131 D132 L135 I146 A147 K148 Q152 A153 V154 | L131-M150 HydrophobicContact CB-CE 4.32Å; L131-M150 HydrophobicContact CD2-CE 4.22Å; L131-M150 HydrophobicContact CD2-SD 3.76Å; L131-M150 HydrophobicContact CG-CE 4.14Å; L131-M150 HydrophobicContact CG-SD 4.34Å; D132-M150 VanDerWaalsContact CA-CE 3.41Å; D132-M150 HydrophobicContact CB-CE 3.45Å; D132-M150 VanDerWaalsContact CB-CE 3.45Å; L135-M150 HydrophobicContact CD1-CB 4.49Å; L135-M150 HydrophobicContact CD1-CE 4.11Å; I146-M150 WeakPolarHBondContact O-CB 3.37Å; I146-M150 PolarHBondContact O-N 2.81Å; A147-M150 PolarHBondContact O-N 3.19Å; K148-M150 VanDerWaalsContact C-N 3.34Å; M150-Q152 VanDerWaalsContact C-N 3.34Å; M150-Q152 PolarHBondContact O-N 3.29Å; M150-A153 PolarHBondContact O-N 3.35Å; M150-V154 WeakPolarHBondContact O-CG2 3.32Å; M150-V154 PolarHBondContact O-N 2.78Å; M150-V154 HydrophobicContact SD-CG2 4.28Å |
| 151 | A | 93 | Very high | 91.7 | Very high | 63 Ų | 63 | 67.6 Ų | 67.6 | 52% | 0.521 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A147 K148 V154 A155 | A147-A151 WeakPolarHBondContact O-CB 3.46Å; A147-A151 PolarHBondContact O-N 3.32Å; K148-A151 PolarHBondContact O-N 2.96Å; A151-V154 PolarHBondContact O-N 2.99Å; A151-A155 PolarHBondContact O-N 2.95Å |
| 152 | Q | 92 | Very high | 92.5 | Very high | 106 Ų | 106 | 67.8 Ų | 67.8 | 50% | 0.495 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 174.4 | 179.6 | 177.1 | -11 | 0 | 0 | 111.6 | K148 R149 M150 V154 A155 E156 | K148-Q152 PolarHBondContact O-N 2.74Å; R149-Q152 PolarHBondContact O-N 2.9Å; M150-Q152 VanDerWaalsContact C-N 3.34Å; M150-Q152 PolarHBondContact O-N 3.29Å; Q152-V154 VanDerWaalsContact C-N 3.29Å; Q152-V154 PolarHBondContact O-N 2.86Å; Q152-A155 WeakPolarHBondContact O-CB 3.39Å; Q152-A155 PolarHBondContact O-N 3.46Å; Q152-A155 VanDerWaalsContact O-N 3.14Å; Q152-E156 HydrophobicContact CG-CG 4.41Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.35Å; Q152-E156 PolarHBondContact NE2-OE1 2.78Å; Q152-E156 WeakPolarHBondContact O-CG 3.48Å; Q152-E156 PolarHBondContact O-N 3.49Å |
| 153 | A | 92.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60 | -39 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P12 L131 R149 M150 E156 M157 | P12-A153 HydrophobicContact CB-CB 3.88Å; P12-A153 WeakPolarHBondContact CB-O 3.41Å; L131-A153 HydrophobicContact CD2-CB 3.84Å; R149-A153 VanDerWaalsContact O-CB 3.29Å; R149-A153 WeakPolarHBondContact O-CB 3.44Å; R149-A153 PolarHBondContact O-N 3.29Å; M150-A153 PolarHBondContact O-N 3.35Å; A153-E156 PolarHBondContact O-N 3.02Å; A153-M157 WeakPolarHBondContact O-CB 3.38Å; A153-M157 VanDerWaalsContact O-CG 3.26Å; A153-M157 WeakPolarHBondContact O-CG 3.37Å; A153-M157 PolarHBondContact O-N 2.98Å |
| 154 | V | 93.5 | Very high | 93.5 | Very high | 54 Ų | 54 | 64.2 Ų | 64.2 | 33% | 0.327 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 174.8 | 172.5 | 0 | 0 | 0 | 0 | 112 | M150 A151 Q152 M157 S158 | M150-V154 WeakPolarHBondContact O-CG2 3.32Å; M150-V154 PolarHBondContact O-N 2.78Å; M150-V154 HydrophobicContact SD-CG2 4.28Å; A151-V154 PolarHBondContact O-N 2.99Å; Q152-V154 VanDerWaalsContact C-N 3.29Å; Q152-V154 PolarHBondContact O-N 2.86Å; V154-M157 HydrophobicContact CB-CE 4.25Å; V154-M157 HydrophobicContact CG2-CE 3.76Å; V154-M157 PolarHBondContact O-N 3.13Å; V154-S158 PolarHBondContact O-N 3.47Å |
| 155 | A | 93.5 | Very high | 93.9 | Very high | 54 Ų | 54 | 59.3 Ų | 59.3 | 45% | 0.446 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A151 Q152 M157 S158 H159 | A151-A155 PolarHBondContact O-N 2.95Å; Q152-A155 WeakPolarHBondContact O-CB 3.39Å; Q152-A155 PolarHBondContact O-N 3.46Å; Q152-A155 VanDerWaalsContact O-N 3.14Å; A155-M157 VanDerWaalsContact C-N 3.3Å; A155-M157 PolarHBondContact O-N 3.22Å; A155-S158 WeakPolarHBondContact O-CB 3.43Å; A155-S158 PolarHBondContact O-N 3.01Å; A155-S158 PolarHBondContact O-OG 2.89Å; A155-H159 PolarHBondContact O-CD2 3.34Å; A155-H159 VanDerWaalsContact O-CD2 3.31Å |
| 156 | E | 93.9 | Very high | 94.3 | Very high | 25 Ų | 25 | 60.3 Ų | 60.3 | 12% | 0.117 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57 | -42.3 | 175 | -70.4 | 168.3 | 179.5 | 0 | 0 | 111.6 | P12 S13 F122 Q152 A153 S158 H159 | P12-E156 VanDerWaalsContact CA-OE2 3.22Å; P12-E156 WeakPolarHBondContact CA-OE2 3.48Å; P12-E156 HydrophobicContact CB-CB 4.17Å; S13-E156 PolarHBondContact N-OE2 3.24Å; F122-E156 WeakPolarHBondContact CZ-O 3.49Å; Q152-E156 HydrophobicContact CG-CG 4.41Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.35Å; Q152-E156 PolarHBondContact NE2-OE1 2.78Å; Q152-E156 WeakPolarHBondContact O-CG 3.48Å; Q152-E156 PolarHBondContact O-N 3.49Å; A153-E156 PolarHBondContact O-N 3.02Å; E156-S158 PolarHBondContact O-N 2.87Å; E156-H159 PolarHBondContact O-N 2.96Å |
| 157 | M | 95.1 | Very high | 94.8 | Very high | 28 Ų | 28 | 60.3 Ų | 60.3 | 14% | 0.138 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.4 | -26.9 | 177.3 | -76.9 | -171.9 | -68.4 | 0 | 0 | 113.7 | P12 L124 P125 L131 A153 V154 A155 H159 Y160 | P12-M157 HydrophobicContact CB-CG 3.84Å; P12-M157 HydrophobicContact CG-CG 3.49Å; P12-M157 VanDerWaalsContact CG-CG 3.49Å; P12-M157 HydrophobicContact CG-SD 4.05Å; L124-M157 HydrophobicContact CD2-CB 4.08Å; L124-M157 HydrophobicContact CD2-CG 3.58Å; L124-M157 HydrophobicContact CD2-SD 3.71Å; P125-M157 HydrophobicContact CG-SD 3.88Å; L131-M157 HydrophobicContact CD2-CE 3.87Å; A153-M157 WeakPolarHBondContact O-CB 3.38Å; A153-M157 VanDerWaalsContact O-CG 3.26Å; A153-M157 WeakPolarHBondContact O-CG 3.37Å; A153-M157 PolarHBondContact O-N 2.98Å; V154-M157 HydrophobicContact CB-CE 4.25Å; V154-M157 HydrophobicContact CG2-CE 3.76Å; V154-M157 PolarHBondContact O-N 3.13Å; A155-M157 VanDerWaalsContact C-N 3.3Å; A155-M157 PolarHBondContact O-N 3.22Å; M157-H159 PolarHBondContact O-N 2.84Å; M157-Y160 WeakPolarHBondContact O-CB 3.48Å; M157-Y160 VanDerWaalsContact O-CD1 3.23Å; M157-Y160 WeakPolarHBondContact O-CD1 3.43Å; M157-Y160 PolarHBondContact O-N 3.29Å |
| 158 | S | 95.5 | Very high | 95.1 | Very high | 79 Ų | 79 | 60.9 Ų | 60.9 | 55% | 0.552 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -65 | -19.1 | -179.7 | 75.1 | 0 | 0 | 0 | 0 | 113.3 | V154 A155 E156 Y160 | V154-S158 PolarHBondContact O-N 3.47Å; A155-S158 WeakPolarHBondContact O-CB 3.43Å; A155-S158 PolarHBondContact O-N 3.01Å; A155-S158 PolarHBondContact O-OG 2.89Å; E156-S158 PolarHBondContact O-N 2.87Å; S158-Y160 VanDerWaalsContact C-N 3.31Å; S158-Y160 PolarHBondContact O-N 3.15Å |
| 159 | H | 96.3 | Very high | 95.4 | Very high | 35 Ų | 35 | 53.6 Ų | 53.6 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -84.9 | 2.1 | 179 | -63.9 | -80 | 0 | 0 | 0 | 113.9 | W105 A155 E156 M157 A161 E162 Y163 | W105-H159 HydrophobicContact CB-CB 3.77Å; W105-H159 AromaticContact CD1-CD2 3.67Å; W105-H159 HydrophobicContact CD2-CB 4.31Å; W105-H159 AromaticContact CD2-CD2 3.43Å; W105-H159 VanDerWaalsContact CD2-CD2 3.43Å; W105-H159 AromaticContact CD2-CE1 3.65Å; W105-H159 AromaticContact CD2-CG 3.54Å; W105-H159 AromaticContact CD2-ND1 3.68Å; W105-H159 AromaticContact CD2-NE2 3.52Å; W105-H159 AromaticContact CE2-CD2 3.49Å; W105-H159 VanDerWaalsContact CE2-CD2 3.49Å; W105-H159 AromaticContact CE2-CE1 3.77Å; W105-H159 AromaticContact CE2-NE2 3.27Å; W105-H159 VanDerWaalsContact CE2-NE2 3.27Å; W105-H159 AromaticContact CE3-CE1 3.46Å; W105-H159 VanDerWaalsContact CE3-CE1 3.46Å; W105-H159 AromaticContact CE3-CG 3.79Å; W105-H159 AromaticContact CE3-ND1 3.44Å; W105-H159 AromaticContact CE3-NE2 3.84Å; W105-H159 HydrophobicContact CG-CB 3.94Å; W105-H159 AromaticContact CG-CD2 3.56Å; W105-H159 AromaticContact CG-CG 3.63Å; W105-H159 AromaticContact CH2-CE1 3.6Å; W105-H159 AromaticContact CH2-NE2 3.76Å; W105-H159 AromaticContact CZ2-CE1 3.76Å; W105-H159 AromaticContact CZ2-NE2 3.42Å; W105-H159 WeakPolarHBondContact CZ2-NE2 3.32Å; W105-H159 AromaticContact CZ3-CE1 3.44Å; W105-H159 VanDerWaalsContact CZ3-CE1 3.44Å; W105-H159 WeakPolarHBondContact CZ3-CE1 3.14Å; W105-H159 AromaticContact CZ3-ND1 3.83Å; W105-H159 AromaticContact CZ3-NE2 3.95Å; W105-H159 AromaticContact NE1-CD2 3.59Å; W105-H159 AromaticContact NE1-NE2 3.76Å; A155-H159 PolarHBondContact O-CD2 3.34Å; A155-H159 VanDerWaalsContact O-CD2 3.31Å; E156-H159 PolarHBondContact O-N 2.96Å; M157-H159 PolarHBondContact O-N 2.84Å; H159-A161 PolarHBondContact O-N 3.18Å; H159-A161 VanDerWaalsContact O-N 3.13Å; H159-E162 IonicContact CE1-OE1 2.7Å; H159-E162 IonicContact CG-OE1 3.35Å; H159-E162 IonicContact ND1-OE1 3.44Å; H159-E162 PolarHBondContact ND1-OE1 2.79Å; H159-E162 WeakPolarHBondContact O-CB 3.31Å; H159-E162 WeakPolarHBondContact O-CG 3Å; H159-E162 PolarHBondContact O-N 3.13Å; H159-E162 VanDerWaalsContact O-N 3.15Å; H159-Y163 WeakPolarHBondContact O-CD2 3.27Å; H159-Y163 WeakPolarHBondContact O-CE2 3.38Å |
| 160 | Y | 96.7 | Very high | 95.7 | Very high | 115 Ų | 115 | 56.3 Ų | 56.3 | 45% | 0.451 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -56.7 | -32.8 | -176.1 | 80.7 | -83 | 0 | 0 | 0 | 113.6 | M157 S158 E162 Y163 L166 | M157-Y160 WeakPolarHBondContact O-CB 3.48Å; M157-Y160 VanDerWaalsContact O-CD1 3.23Å; M157-Y160 WeakPolarHBondContact O-CD1 3.43Å; M157-Y160 PolarHBondContact O-N 3.29Å; S158-Y160 VanDerWaalsContact C-N 3.31Å; S158-Y160 PolarHBondContact O-N 3.15Å; Y160-E162 PolarHBondContact O-N 3.13Å; Y160-E162 VanDerWaalsContact O-N 3.13Å; Y160-Y163 PolarHBondContact O-N 3.05Å; Y160-L166 HydrophobicContact CD2-CD1 4.3Å; Y160-L166 HydrophobicContact CD2-CD2 3.97Å; Y160-L166 HydrophobicContact CE2-CD2 4.37Å |
| 161 | A | 96.9 | Very high | 95.8 | Very high | 78 Ų | 78 | 58.5 Ų | 58.5 | 65% | 0.645 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -70.6 | -6.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | H159 Y163 | H159-A161 PolarHBondContact O-N 3.18Å; H159-A161 VanDerWaalsContact O-N 3.13Å; A161-Y163 VanDerWaalsContact C-N 3.33Å |
| 162 | E | 96.2 | Very high | 95.9 | Very high | 61 Ų | 61 | 59 Ų | 59 | 29% | 0.285 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -87.6 | -1.1 | 178.8 | -53.3 | 176.8 | -159.2 | 0 | 0 | 113.9 | Q109 R112 H159 Y160 | Q109-E162 WeakPolarHBondContact CG-OE2 3.32Å; Q109-E162 PolarHBondContact NE2-OE1 2.74Å; Q109-E162 PolarHBondContact NE2-OE2 2.8Å; R112-E162 IonicContact CZ-OE2 3.78Å; R112-E162 PolarHBondContact NE-O 2.58Å; R112-E162 PolarHBondContact NH1-O 2.97Å; R112-E162 IonicContact NH2-OE2 3.36Å; R112-E162 PolarHBondContact NH2-OE2 3.26Å; H159-E162 IonicContact CE1-OE1 2.7Å; H159-E162 IonicContact CG-OE1 3.35Å; H159-E162 IonicContact ND1-OE1 3.44Å; H159-E162 PolarHBondContact ND1-OE1 2.79Å; H159-E162 WeakPolarHBondContact O-CB 3.31Å; H159-E162 WeakPolarHBondContact O-CG 3Å; H159-E162 PolarHBondContact O-N 3.13Å; H159-E162 VanDerWaalsContact O-N 3.15Å; Y160-E162 PolarHBondContact O-N 3.13Å; Y160-E162 VanDerWaalsContact O-N 3.13Å |
| 163 | Y | 98 | Very high | 96.1 | Very high | 23 Ų | 23 | 59.1 Ų | 59.1 | 9% | 0.09 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -107.2 | 152.3 | -170.1 | -69.2 | -109.2 | 0 | 0 | 0 | 111.8 | S10 W105 A108 S120 F122 H159 Y160 A161 Y165 | S10-Y163 WeakPolarHBondContact CB-OH 3.47Å; S10-Y163 PolarHBondContact OG-OH 3.37Å; W105-Y163 VanDerWaalsContact CA-OH 3.27Å; W105-Y163 WeakPolarHBondContact CA-OH 3.38Å; A108-Y163 HydrophobicContact CB-CE1 3.97Å; A108-Y163 WeakPolarHBondContact CB-OH 3.5Å; S120-Y163 WeakPolarHBondContact OG-CA 3.33Å; F122-Y163 HydrophobicContact CB-CD1 3.98Å; F122-Y163 HydrophobicContact CB-CD2 3.96Å; F122-Y163 HydrophobicContact CB-CG 3.69Å; F122-Y163 HydrophobicContact CD2-CD1 4.18Å; F122-Y163 AromaticContact CD2-CD2 3.66Å; F122-Y163 HydrophobicContact CD2-CD2 3.66Å; F122-Y163 AromaticContact CD2-CE1 3.95Å; F122-Y163 HydrophobicContact CD2-CE1 3.95Å; F122-Y163 AromaticContact CD2-CE2 3.4Å; F122-Y163 HydrophobicContact CD2-CE2 3.4Å; F122-Y163 HydrophobicContact CD2-CG 4.07Å; F122-Y163 AromaticContact CD2-CZ 3.55Å; F122-Y163 AromaticContact CE2-CE2 3.95Å; F122-Y163 HydrophobicContact CE2-CE2 3.95Å; F122-Y163 HydrophobicContact CG-CD2 4.14Å; F122-Y163 HydrophobicContact CG-CE2 4.32Å; F122-Y163 HydrophobicContact CG-CG 4.33Å; H159-Y163 WeakPolarHBondContact O-CD2 3.27Å; H159-Y163 WeakPolarHBondContact O-CE2 3.38Å; Y160-Y163 PolarHBondContact O-N 3.05Å; A161-Y163 VanDerWaalsContact C-N 3.33Å; Y163-Y165 VanDerWaalsContact C-N 3.35Å |
| 164 | D | 97.7 | Very high | 96.4 | Very high | 88 Ų | 88 | 62.7 Ų | 62.7 | 47% | 0.471 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -70.9 | -32.9 | 179.1 | -54.9 | -63 | 0 | 0 | 0 | 112 | S120 | S120-D164 PolarHBondContact N-OD2 3.34Å; S120-D164 WeakPolarHBondContact O-CB 3.5Å; S120-D164 PolarHBondContact O-N 3.14Å; S120-D164 VanDerWaalsContact O-N 3.07Å; S120-D164 VanDerWaalsContact OG-CG 3.31Å; S120-D164 PolarHBondContact OG-N 2.73Å; S120-D164 PolarHBondContact OG-OD2 3.4Å |
| 165 | Y | 98.5 | Very high | 96.6 | Very high | 60 Ų | 60 | 60.1 Ų | 60.1 | 24% | 0.235 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 146.8 | -178.3 | -55.6 | -82.8 | 0 | 0 | 0 | 111.6 | R119 S120 I121 F122 Y163 I182 E186 | R119-Y165 HydrophobicContact CB-CE2 4.41Å; S120-Y165 PolarHBondContact O-N 3.31Å; I121-Y165 WeakPolarHBondContact CA-O 3.38Å; I121-Y165 HydrophobicContact CG1-CD2 4.06Å; I121-Y165 HydrophobicContact CG1-CG 4.5Å; F122-Y165 PolarHBondContact N-O 3.42Å; Y163-Y165 VanDerWaalsContact C-N 3.35Å; Y165-I182 HydrophobicContact CD1-CD1 3.99Å; Y165-I182 HydrophobicContact CD1-CG1 3.84Å; Y165-I182 HydrophobicContact CD1-CG2 4.17Å; Y165-I182 HydrophobicContact CD2-CG2 3.81Å; Y165-I182 HydrophobicContact CE1-CG1 4.29Å; Y165-I182 HydrophobicContact CE1-CG2 4.19Å; Y165-I182 HydrophobicContact CE2-CG2 3.85Å; Y165-I182 HydrophobicContact CG-CD1 3.87Å; Y165-I182 HydrophobicContact CG-CG1 4.12Å; Y165-I182 HydrophobicContact CG-CG2 4Å; Y165-E186 PolarHBondContact OH-OE1 2.97Å |
| 166 | L | 98.3 | Very high | 96.7 | Very high | 83 Ų | 83 | 58.2 Ų | 58.2 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.7 | 174.8 | -177.7 | 66.1 | 0 | 0 | 0 | 109.5 | F122 L124 Y160 | F122-L166 HydrophobicContact CB-CD1 3.99Å; F122-L166 HydrophobicContact CD1-CD1 4.03Å; F122-L166 WeakPolarHBondContact O-CA 3.39Å; L124-L166 HydrophobicContact CD1-CD1 3.72Å; L124-L166 HydrophobicContact CD1-CD2 4.08Å; L124-L166 HydrophobicContact CD1-CG 4.32Å; L124-L166 HydrophobicContact CG-CD1 3.8Å; Y160-L166 HydrophobicContact CD2-CD1 4.3Å; Y160-L166 HydrophobicContact CD2-CD2 3.97Å; Y160-L166 HydrophobicContact CE2-CD2 4.37Å |
| 167 | I | 98.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.8 | 173.6 | -59.9 | 177.2 | 0 | 0 | 0 | 108.5 | I121 F122 I123 L124 A175 D178 L179 I182 | I121-I167 HydrophobicContact CG2-CD1 3.88Å; I121-I167 HydrophobicContact CG2-CG1 4.17Å; F122-I167 PolarHBondContact O-N 3.23Å; I123-I167 CarbonylContact C-O 3.53Å; I123-I167 WeakPolarHBondContact CA-O 3.49Å; I123-I167 HydrophobicContact CG1-CB 4.48Å; L124-I167 PolarHBondContact N-O 3.42Å; I167-A175 HydrophobicContact CG2-CB 3.82Å; I167-D178 HydrophobicContact CD1-CB 4.3Å; I167-D178 HydrophobicContact CG1-CB 4.4Å; I167-D178 HydrophobicContact CG2-CB 4.47Å; I167-L179 HydrophobicContact CD1-CB 3.91Å; I167-L179 HydrophobicContact CD1-CD1 4.28Å; I167-I182 HydrophobicContact CD1-CD1 3.84Å; I167-I182 HydrophobicContact CG1-CD1 4.04Å |
| 168 | V | 98 | Very high | 97 | Very high | 74 Ų | 74 | 62.7 Ų | 62.7 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 116.2 | 169.7 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | L124 P126 D170 | L124-V168 HydrophobicContact CB-CG2 4.46Å; P126-V168 HydrophobicContact CB-CG1 4.39Å; V168-D170 VanDerWaalsContact C-N 3.26Å; V168-D170 HydrophobicContact CG1-CB 4.45Å; V168-D170 PolarHBondContact O-N 2.98Å |
| 169 | N | 97 | Very high | 97 | Very high | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.027 | 31% | 0.314 | C | S | . | . | trans | -88 | 62.4 | -178.1 | -172.2 | 25.2 | 0 | 0 | 0 | 112.2 | A15 L20 I123 L124 P126 R134 A175 | A15-N169 WeakPolarHBondContact O-CB 3.44Å; A15-N169 PolarHBondContact O-ND2 2.83Å; L20-N169 HydrophobicContact CD1-CB 4.22Å; I123-N169 HydrophobicContact CG2-CB 3.75Å; L124-N169 PolarHBondContact O-N 2.67Å; P126-N169 WeakPolarHBondContact CD-O 3.42Å; R134-N169 PolarHBondContact NH1-O 2.93Å; R134-N169 PolarHBondContact NH2-O 2.84Å; N169-A175 HydrophobicContact CB-CB 4.21Å; N169-A175 WeakPolarHBondContact OD1-CB 3.47Å | ||
| 170 | D | 95.6 | Very high | 96.9 | Very high | 115 Ų | 115 | 60 Ų | 60 | 62% | 0.615 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -76.5 | -65.2 | 173.9 | -167.6 | 24.2 | 0 | 0 | 0 | 110.9 | P126 V168 | P126-D170 HydrophobicContact CB-CB 3.66Å; P126-D170 WeakPolarHBondContact CB-OD1 3.44Å; P126-D170 HydrophobicContact CG-CB 4.33Å; P126-D170 WeakPolarHBondContact CG-OD1 3.39Å; V168-D170 VanDerWaalsContact C-N 3.26Å; V168-D170 HydrophobicContact CG1-CB 4.45Å; V168-D170 PolarHBondContact O-N 2.98Å |
| 171 | D | 96 | Very high | 96.8 | Very high | 77 Ų | 77 | 58.3 Ų | 58.3 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -98.9 | 128 | 169 | 175.3 | -108.1 | 0 | 0 | 0 | 110.1 | D173 T174 A175 | D171-D173 PolarHBondContact OD1-N 3.07Å; D171-T174 VanDerWaalsContact OD1-CB 3.26Å; D171-T174 WeakPolarHBondContact OD1-CB 3.43Å; D171-T174 PolarHBondContact OD1-N 3.15Å; D171-T174 PolarHBondContact OD1-OG1 3.27Å; D171-A175 WeakPolarHBondContact O-CB 3.26Å; D171-A175 PolarHBondContact O-N 2.8Å |
| 172 | F | 95.3 | Very high | 96.8 | Very high | 75 Ų | 75 | 55.5 Ų | 55.5 | 33% | 0.329 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.2 | -41.4 | -172.2 | -176.5 | -95.5 | 0 | 0 | 0 | 112.5 | L20 A23 A175 L176 | L20-F172 HydrophobicContact CD2-CD2 4.11Å; L20-F172 HydrophobicContact CD2-CE2 3.79Å; L20-F172 HydrophobicContact CD2-CZ 4.18Å; L20-F172 HydrophobicContact CG-CD2 4.41Å; L20-F172 HydrophobicContact CG-CE2 3.91Å; A23-F172 HydrophobicContact CB-CE1 3.9Å; A23-F172 HydrophobicContact CB-CZ 3.65Å; F172-A175 PolarHBondContact O-N 2.81Å; F172-L176 HydrophobicContact CE1-CD2 4.41Å; F172-L176 WeakPolarHBondContact O-CB 3.42Å; F172-L176 PolarHBondContact O-N 3.09Å |
| 173 | D | 96.1 | Very high | 96.6 | Very high | 107 Ų | 107 | 52.6 Ų | 52.6 | 57% | 0.572 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -70.8 | -37.1 | -177 | -71.4 | -31.5 | 0 | 0 | 0 | 111.3 | D171 T177 | D171-D173 PolarHBondContact OD1-N 3.07Å; D173-T177 WeakPolarHBondContact O-CB 3.36Å; D173-T177 PolarHBondContact O-N 2.87Å; D173-T177 PolarHBondContact O-OG1 3.35Å |
| 174 | T | 97.7 | Very high | 96.4 | Very high | 75 Ų | 75 | 58.2 Ų | 58.2 | 46% | 0.46 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.8 | -51.7 | 171.5 | -57.9 | 0 | 0 | 0 | 0 | 110.6 | D171 L176 T177 D178 | D171-T174 VanDerWaalsContact OD1-CB 3.26Å; D171-T174 WeakPolarHBondContact OD1-CB 3.43Å; D171-T174 PolarHBondContact OD1-N 3.15Å; D171-T174 PolarHBondContact OD1-OG1 3.27Å; T174-L176 VanDerWaalsContact C-N 3.29Å; T174-L176 PolarHBondContact O-N 2.81Å; T174-T177 CarbonylContact O-C 3.53Å; T174-T177 WeakPolarHBondContact O-CA 3.32Å; T174-T177 WeakPolarHBondContact O-CB 3.5Å; T174-T177 PolarHBondContact O-N 2.88Å; T174-D178 PolarHBondContact O-N 3.18Å |
| 175 | A | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.1 | -36.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L20 I167 N169 D171 F172 T177 D178 L179 | L20-A175 HydrophobicContact CD1-CB 4.19Å; L20-A175 HydrophobicContact CD2-CB 3.96Å; I167-A175 HydrophobicContact CG2-CB 3.82Å; N169-A175 HydrophobicContact CB-CB 4.21Å; N169-A175 WeakPolarHBondContact OD1-CB 3.47Å; D171-A175 WeakPolarHBondContact O-CB 3.26Å; D171-A175 PolarHBondContact O-N 2.8Å; F172-A175 PolarHBondContact O-N 2.81Å; A175-T177 VanDerWaalsContact C-N 3.35Å; A175-D178 PolarHBondContact O-N 3.23Å; A175-L179 WeakPolarHBondContact O-CB 3.22Å; A175-L179 PolarHBondContact O-N 3.24Å |
| 176 | L | 96.1 | Very high | 96.1 | Very high | 14 Ų | 14 | 54.1 Ų | 54.1 | 7% | 0.073 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 173.2 | 178.9 | 59.8 | 0 | 0 | 0 | 111.8 | L20 A23 L24 F172 T174 L179 K180 | L20-L176 HydrophobicContact CD2-CB 3.95Å; A23-L176 HydrophobicContact CB-CD1 4.03Å; A23-L176 HydrophobicContact CB-CD2 3.9Å; L24-L176 HydrophobicContact CB-CD1 4.1Å; F172-L176 HydrophobicContact CE1-CD2 4.41Å; F172-L176 WeakPolarHBondContact O-CB 3.42Å; F172-L176 PolarHBondContact O-N 3.09Å; T174-L176 VanDerWaalsContact C-N 3.29Å; T174-L176 PolarHBondContact O-N 2.81Å; L176-L179 PolarHBondContact O-N 3.44Å; L176-K180 HydrophobicContact CG-CD 4.37Å; L176-K180 VanDerWaalsContact O-CG 3.3Å; L176-K180 WeakPolarHBondContact O-CG 3.18Å; L176-K180 PolarHBondContact O-N 3.27Å |
| 177 | T | 96.1 | Very high | 95.7 | Very high | 76 Ų | 76 | 51.7 Ų | 51.7 | 47% | 0.466 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 175.9 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | D173 T174 A175 K180 T181 | D173-T177 WeakPolarHBondContact O-CB 3.36Å; D173-T177 PolarHBondContact O-N 2.87Å; D173-T177 PolarHBondContact O-OG1 3.35Å; T174-T177 CarbonylContact O-C 3.53Å; T174-T177 WeakPolarHBondContact O-CA 3.32Å; T174-T177 WeakPolarHBondContact O-CB 3.5Å; T174-T177 PolarHBondContact O-N 2.88Å; A175-T177 VanDerWaalsContact C-N 3.35Å; T177-K180 PolarHBondContact O-N 3.46Å; T177-T181 WeakPolarHBondContact O-CB 3.23Å; T177-T181 PolarHBondContact O-N 2.92Å; T177-T181 PolarHBondContact O-OG1 3.14Å |
| 178 | D | 97.8 | Very high | 95.5 | Very high | 71 Ų | 71 | 56 Ų | 56 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 175.3 | -68.9 | -21.1 | 0 | 0 | 0 | 111.3 | I167 T174 A175 K180 T181 I182 | I167-D178 HydrophobicContact CD1-CB 4.3Å; I167-D178 HydrophobicContact CG1-CB 4.4Å; I167-D178 HydrophobicContact CG2-CB 4.47Å; T174-D178 PolarHBondContact O-N 3.18Å; A175-D178 PolarHBondContact O-N 3.23Å; D178-K180 PolarHBondContact O-N 3.19Å; D178-T181 WeakPolarHBondContact O-CA 3.36Å; D178-T181 WeakPolarHBondContact O-CB 3.36Å; D178-T181 PolarHBondContact O-N 3.47Å; D178-T181 VanDerWaalsContact O-N 3.07Å; D178-I182 WeakPolarHBondContact O-CG1 3.43Å; D178-I182 PolarHBondContact O-N 2.66Å |
| 179 | L | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 175.9 | -178.7 | 57.7 | 0 | 0 | 0 | 111.6 | L20 L24 I121 I167 A175 L176 T181 I182 I183 | L20-L179 HydrophobicContact CB-CD2 4.25Å; L24-L179 HydrophobicContact CB-CD2 4.19Å; L24-L179 HydrophobicContact CD2-CD2 3.98Å; L24-L179 HydrophobicContact CD2-CG 4.18Å; I121-L179 HydrophobicContact CD1-CD1 3.61Å; I167-L179 HydrophobicContact CD1-CB 3.91Å; I167-L179 HydrophobicContact CD1-CD1 4.28Å; A175-L179 WeakPolarHBondContact O-CB 3.22Å; A175-L179 PolarHBondContact O-N 3.24Å; L176-L179 PolarHBondContact O-N 3.44Å; L179-T181 VanDerWaalsContact C-N 3.27Å; L179-T181 PolarHBondContact O-N 3.31Å; L179-I182 PolarHBondContact O-N 3.3Å; L179-I183 HydrophobicContact CD1-CD1 4.32Å; L179-I183 HydrophobicContact CG-CD1 4.18Å; L179-I183 WeakPolarHBondContact O-CD1 3.37Å; L179-I183 VanDerWaalsContact O-CG1 3.31Å; L179-I183 WeakPolarHBondContact O-CG1 3.42Å; L179-I183 PolarHBondContact O-N 3.07Å |
| 180 | K | 94.4 | Very high | 95.2 | Very high | 56 Ų | 56 | 64.2 Ų | 64.2 | 24% | 0.243 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 174.4 | -73.6 | 168.7 | -179.5 | 170.9 | 0 | 112 | L24 T27 L176 T177 D178 I183 R184 | L24-K180 HydrophobicContact CD1-CG 3.65Å; T27-K180 VanDerWaalsContact CG2-NZ 3.26Å; T27-K180 WeakPolarHBondContact OG1-CE 3.38Å; L176-K180 HydrophobicContact CG-CD 4.37Å; L176-K180 VanDerWaalsContact O-CG 3.3Å; L176-K180 WeakPolarHBondContact O-CG 3.18Å; L176-K180 PolarHBondContact O-N 3.27Å; T177-K180 PolarHBondContact O-N 3.46Å; D178-K180 PolarHBondContact O-N 3.19Å; K180-I183 PolarHBondContact O-N 3.36Å; K180-R184 VanDerWaalsContact O-CB 3.32Å; K180-R184 WeakPolarHBondContact O-CB 3.24Å; K180-R184 PolarHBondContact O-N 3.35Å |
| 181 | T | 95.9 | Very high | 95 | Very high | 80 Ų | 80 | 62.6 Ų | 62.6 | 49% | 0.491 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 179.8 | -61.8 | 0 | 0 | 0 | 0 | 111.2 | T177 D178 L179 I183 R184 A185 | T177-T181 WeakPolarHBondContact O-CB 3.23Å; T177-T181 PolarHBondContact O-N 2.92Å; T177-T181 PolarHBondContact O-OG1 3.14Å; D178-T181 WeakPolarHBondContact O-CA 3.36Å; D178-T181 WeakPolarHBondContact O-CB 3.36Å; D178-T181 PolarHBondContact O-N 3.47Å; D178-T181 VanDerWaalsContact O-N 3.07Å; L179-T181 VanDerWaalsContact C-N 3.27Å; L179-T181 PolarHBondContact O-N 3.31Å; T181-I183 VanDerWaalsContact C-N 3.34Å; T181-I183 PolarHBondContact O-N 3.05Å; T181-R184 PolarHBondContact O-N 3.46Å; T181-A185 WeakPolarHBondContact O-CB 3.47Å; T181-A185 PolarHBondContact O-N 2.86Å |
| 182 | I | 95.9 | Very high | 94.7 | Very high | 19 Ų | 19 | 60.1 Ų | 60.1 | 10% | 0.097 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.7 | -48.6 | 174.4 | -69.1 | 161.9 | 0 | 0 | 0 | 110.4 | Y7 I121 Y165 I167 D178 L179 R184 A185 E186 | Y7-I182 HydrophobicContact CE1-CG2 4.47Å; I121-I182 HydrophobicContact CD1-CD1 4.43Å; I121-I182 HydrophobicContact CD1-CG2 3.92Å; I121-I182 HydrophobicContact CG1-CG2 4.45Å; I121-I182 HydrophobicContact CG2-CD1 4.47Å; Y165-I182 HydrophobicContact CD1-CD1 3.99Å; Y165-I182 HydrophobicContact CD1-CG1 3.84Å; Y165-I182 HydrophobicContact CD1-CG2 4.17Å; Y165-I182 HydrophobicContact CD2-CG2 3.81Å; Y165-I182 HydrophobicContact CE1-CG1 4.29Å; Y165-I182 HydrophobicContact CE1-CG2 4.19Å; Y165-I182 HydrophobicContact CE2-CG2 3.85Å; Y165-I182 HydrophobicContact CG-CD1 3.87Å; Y165-I182 HydrophobicContact CG-CG1 4.12Å; Y165-I182 HydrophobicContact CG-CG2 4Å; I167-I182 HydrophobicContact CD1-CD1 3.84Å; I167-I182 HydrophobicContact CG1-CD1 4.04Å; D178-I182 WeakPolarHBondContact O-CG1 3.43Å; D178-I182 PolarHBondContact O-N 2.66Å; L179-I182 PolarHBondContact O-N 3.3Å; I182-R184 VanDerWaalsContact C-N 3.34Å; I182-R184 PolarHBondContact O-N 2.85Å; I182-A185 PolarHBondContact O-N 3.05Å; I182-E186 WeakPolarHBondContact O-CB 3.23Å; I182-E186 WeakPolarHBondContact O-CG 3.46Å; I182-E186 PolarHBondContact O-N 3.35Å |
| 183 | I | 92.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | -179.5 | -63.1 | 157.2 | 0 | 0 | 0 | 110.7 | Y7 L24 F100 L179 K180 T181 A185 E186 R187 | Y7-I183 HydrophobicContact CE1-CG1 4.24Å; Y7-I183 HydrophobicContact CE2-CG1 4.37Å; Y7-I183 HydrophobicContact CE2-CG2 4.46Å; L24-I183 HydrophobicContact CD1-CD1 3.55Å; L24-I183 HydrophobicContact CD2-CD1 3.32Å; L24-I183 HydrophobicContact CG-CD1 4.03Å; F100-I183 HydrophobicContact CE1-CD1 3.82Å; F100-I183 HydrophobicContact CE1-CG1 4.18Å; F100-I183 HydrophobicContact CZ-CD1 3.42Å; F100-I183 VanDerWaalsContact CZ-CD1 3.42Å; F100-I183 HydrophobicContact CZ-CG1 3.8Å; L179-I183 HydrophobicContact CD1-CD1 4.32Å; L179-I183 HydrophobicContact CG-CD1 4.18Å; L179-I183 WeakPolarHBondContact O-CD1 3.37Å; L179-I183 VanDerWaalsContact O-CG1 3.31Å; L179-I183 WeakPolarHBondContact O-CG1 3.42Å; L179-I183 PolarHBondContact O-N 3.07Å; K180-I183 PolarHBondContact O-N 3.36Å; T181-I183 VanDerWaalsContact C-N 3.34Å; T181-I183 PolarHBondContact O-N 3.05Å; I183-A185 PolarHBondContact O-N 3.21Å; I183-E186 PolarHBondContact O-N 3.5Å; I183-R187 WeakPolarHBondContact O-CB 3.33Å; I183-R187 WeakPolarHBondContact O-CG 3.47Å; I183-R187 PolarHBondContact O-N 3.18Å |
| 184 | R | 92.9 | Very high | 94.5 | Very high | 142 Ų | 142 | 59.6 Ų | 59.6 | 54% | 0.536 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 177.1 | -176.1 | 177.5 | 179.6 | 82.8 | 1.3 | 111.5 | K180 T181 I182 R187 L188 | K180-R184 VanDerWaalsContact O-CB 3.32Å; K180-R184 WeakPolarHBondContact O-CB 3.24Å; K180-R184 PolarHBondContact O-N 3.35Å; T181-R184 PolarHBondContact O-N 3.46Å; I182-R184 VanDerWaalsContact C-N 3.34Å; I182-R184 PolarHBondContact O-N 2.85Å; R184-R187 PolarHBondContact O-N 3.24Å; R184-L188 HydrophobicContact CG-CD1 4.06Å; R184-L188 VanDerWaalsContact O-CG 3.28Å; R184-L188 WeakPolarHBondContact O-CG 3.26Å; R184-L188 PolarHBondContact O-N 2.7Å |
| 185 | A | 95.3 | Very high | 94.2 | Very high | 51 Ų | 51 | 61.3 Ų | 61.3 | 42% | 0.421 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T181 I182 I183 R187 L188 R189 | T181-A185 WeakPolarHBondContact O-CB 3.47Å; T181-A185 PolarHBondContact O-N 2.86Å; I182-A185 PolarHBondContact O-N 3.05Å; I183-A185 PolarHBondContact O-N 3.21Å; A185-R187 VanDerWaalsContact C-N 3.34Å; A185-R187 PolarHBondContact O-N 3.35Å; A185-L188 PolarHBondContact O-N 2.93Å; A185-L188 VanDerWaalsContact O-N 3.1Å; A185-R189 PolarHBondContact O-N 3.49Å |
| 186 | E | 94.2 | Very high | 93.8 | Very high | 10 Ų | 10 | 69.3 Ų | 69.3 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 175.8 | -75.9 | -56.2 | 115 | 0 | 0 | 112.5 | Y7 R119 Y165 I182 I183 L188 R189 | Y7-E186 HydrophobicContact CE1-CB 4.36Å; Y7-E186 HydrophobicContact CE1-CG 4.08Å; Y7-E186 WeakPolarHBondContact OH-CB 3.11Å; R119-E186 WeakPolarHBondContact CD-OE2 3.42Å; R119-E186 HydrophobicContact CG-CG 4.05Å; R119-E186 WeakPolarHBondContact CG-OE2 3.14Å; R119-E186 IonicContact CZ-OE2 2.63Å; R119-E186 IonicContact NE-OE1 3.58Å; R119-E186 IonicContact NE-OE2 3.86Å; R119-E186 PolarHBondContact NE-OE2 2.94Å; R119-E186 IonicContact NH2-OE2 2.73Å; Y165-E186 PolarHBondContact OH-OE1 2.97Å; I182-E186 WeakPolarHBondContact O-CB 3.23Å; I182-E186 WeakPolarHBondContact O-CG 3.46Å; I182-E186 PolarHBondContact O-N 3.35Å; I183-E186 PolarHBondContact O-N 3.5Å; E186-L188 PolarHBondContact O-N 3.24Å; E186-R189 WeakPolarHBondContact O-CB 3.34Å; E186-R189 WeakPolarHBondContact O-CG 3.47Å; E186-R189 PolarHBondContact O-N 2.98Å; E186-R189 IonicContact OE1-CZ 3.79Å; E186-R189 IonicContact OE1-NE 2.71Å; E186-R189 PolarHBondContact OE1-NE 3.34Å; E186-R189 IonicContact OE1-NH2 3.62Å; E186-R189 PolarHBondContact OE1-NH2 3.5Å; E186-R189 WeakPolarHBondContact OE2-CD 3.43Å; E186-R189 IonicContact OE2-CZ 2.74Å; E186-R189 IonicContact OE2-NE 3.53Å; E186-R189 PolarHBondContact OE2-NE 2.89Å; E186-R189 IonicContact OE2-NH2 3.83Å |
| 187 | R | 90.7 | Very high | 93.7 | Very high | 32 Ų | 32 | 71.7 Ų | 71.7 | 12% | 0.121 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.5 | -29 | 174.2 | -76.5 | -175.5 | 174.1 | -140.2 | -1.6 | 112.9 | D32 D98 I183 R184 A185 R189 Q193 | D32-R187 PolarHBondContact O-NH2 3.32Å; D98-R187 IonicContact OD1-NH2 3.04Å; D98-R187 IonicContact OD2-CZ 3.61Å; D98-R187 IonicContact OD2-NE 3.9Å; D98-R187 PolarHBondContact OD2-NE 2.92Å; D98-R187 IonicContact OD2-NH2 3.9Å; D98-R187 PolarHBondContact OD2-NH2 3.42Å; I183-R187 WeakPolarHBondContact O-CB 3.33Å; I183-R187 WeakPolarHBondContact O-CG 3.47Å; I183-R187 PolarHBondContact O-N 3.18Å; R184-R187 PolarHBondContact O-N 3.24Å; A185-R187 VanDerWaalsContact C-N 3.34Å; A185-R187 PolarHBondContact O-N 3.35Å; R187-R189 VanDerWaalsContact C-N 3.32Å; R187-Q193 PolarHBondContact O-NE2 3.32Å |
| 188 | L | 93.6 | Very high | 93.6 | Very high | 95 Ų | 95 | 72.6 Ų | 72.6 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 0.8 | 179.4 | -69.4 | 172.2 | 0 | 0 | 0 | 113.7 | R184 A185 E186 M190 Q193 | R184-L188 HydrophobicContact CG-CD1 4.06Å; R184-L188 VanDerWaalsContact O-CG 3.28Å; R184-L188 WeakPolarHBondContact O-CG 3.26Å; R184-L188 PolarHBondContact O-N 2.7Å; A185-L188 PolarHBondContact O-N 2.93Å; A185-L188 VanDerWaalsContact O-N 3.1Å; E186-L188 PolarHBondContact O-N 3.24Å; L188-M190 PolarHBondContact O-N 3.33Å; L188-Q193 WeakPolarHBondContact O-CG 3.28Å |
| 189 | R | 94.7 | Very high | 93.5 | Very high | 101 Ų | 101 | 73 Ų | 73 | 38% | 0.381 | 36% | 0.363 | S | S | . | . | trans | -58.1 | 141.1 | 175.3 | -75.1 | -170.3 | 177.1 | -141.9 | 9.3 | 111.7 | A185 E186 R187 S191 R192 Q193 | A185-R189 PolarHBondContact O-N 3.49Å; E186-R189 WeakPolarHBondContact O-CB 3.34Å; E186-R189 WeakPolarHBondContact O-CG 3.47Å; E186-R189 PolarHBondContact O-N 2.98Å; E186-R189 IonicContact OE1-CZ 3.79Å; E186-R189 IonicContact OE1-NE 2.71Å; E186-R189 PolarHBondContact OE1-NE 3.34Å; E186-R189 IonicContact OE1-NH2 3.62Å; E186-R189 PolarHBondContact OE1-NH2 3.5Å; E186-R189 WeakPolarHBondContact OE2-CD 3.43Å; E186-R189 IonicContact OE2-CZ 2.74Å; E186-R189 IonicContact OE2-NE 3.53Å; E186-R189 PolarHBondContact OE2-NE 2.89Å; E186-R189 IonicContact OE2-NH2 3.83Å; R187-R189 VanDerWaalsContact C-N 3.32Å; R189-S191 VanDerWaalsContact C-N 3.3Å; R189-S191 PolarHBondContact O-N 3.46Å; R189-R192 PolarHBondContact O-N 2.94Å; R189-Q193 PolarHBondContact O-N 3.01Å | ||
| 190 | M | 94.8 | Very high | 93.5 | Very high | 151 Ų | 151 | 77.2 Ų | 77.2 | 74% | 0.744 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -51.2 | -44.6 | -177.2 | 179 | 58.3 | 71.2 | 0 | 0 | 113.3 | L188 R192 Q193 K194 | L188-M190 PolarHBondContact O-N 3.33Å; M190-R192 VanDerWaalsContact C-N 3.28Å; M190-R192 PolarHBondContact O-N 3.39Å; M190-Q193 PolarHBondContact O-N 2.92Å; M190-K194 WeakPolarHBondContact O-CB 3.29Å; M190-K194 PolarHBondContact O-N 3.26Å |
| 191 | S | 90.8 | Very high | 93.6 | Very high | 81 Ų | 81 | 77.5 Ų | 77.5 | 57% | 0.566 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -57 | -42.1 | 179 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | R189 Q195 | R189-S191 VanDerWaalsContact C-N 3.3Å; R189-S191 PolarHBondContact O-N 3.46Å; S191-Q195 WeakPolarHBondContact O-CG 3.5Å |
| 192 | R | 90.1 | Very high | 93.7 | Very high | 26 Ų | 26 | 76.8 Ų | 76.8 | 10% | 0.098 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -74.7 | -45.6 | 178.4 | -156.5 | -175.9 | -176.8 | 146 | -5.9 | 111.5 | A2 T5 G96 D98 R189 M190 Q195 R196 | A2-R192 HydrophobicContact CB-CG 3.54Å; T5-R192 PolarHBondContact OG1-NH1 2.83Å; T5-R192 VanDerWaalsContact OG1-NH1 3.1Å; G96-R192 PolarHBondContact O-NH2 3.35Å; G96-R192 VanDerWaalsContact O-NH2 3.1Å; D98-R192 IonicContact OD1-CZ 3.12Å; D98-R192 IonicContact OD1-NH1 3.93Å; D98-R192 PolarHBondContact OD1-NH1 3.37Å; D98-R192 IonicContact OD1-NH2 2.71Å; D98-R192 PolarHBondContact OD1-NH2 2.89Å; D98-R192 IonicContact OD2-NH1 2.72Å; R189-R192 PolarHBondContact O-N 2.94Å; M190-R192 VanDerWaalsContact C-N 3.28Å; M190-R192 PolarHBondContact O-N 3.39Å; R192-Q195 PolarHBondContact O-N 3.35Å; R192-R196 WeakPolarHBondContact O-CB 3.36Å; R192-R196 PolarHBondContact O-N 2.72Å |
| 193 | Q | 93.6 | Very high | 93.7 | Very high | 44 Ų | 44 | 83.8 Ų | 83.8 | 21% | 0.206 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.9 | -39.9 | -177.7 | -69.1 | -61.2 | -58.6 | 0 | 0 | 112.3 | R187 L188 R189 M190 Q195 R196 H197 | R187-Q193 PolarHBondContact O-NE2 3.32Å; L188-Q193 WeakPolarHBondContact O-CG 3.28Å; R189-Q193 PolarHBondContact O-N 3.01Å; M190-Q193 PolarHBondContact O-N 2.92Å; Q193-Q195 PolarHBondContact O-N 2.77Å; Q193-R196 PolarHBondContact O-N 3.39Å; Q193-H197 WeakPolarHBondContact O-CB 3.35Å; Q193-H197 PolarHBondContact O-CD2 2.89Å; Q193-H197 PolarHBondContact O-N 2.98Å; Q193-H197 PolarHBondContact OE1-CD2 3.49Å; Q193-H197 VanDerWaalsContact OE1-CD2 3.24Å; Q193-H197 PolarHBondContact OE1-NE2 3.33Å |
| 194 | K | 93.8 | Very high | 93.9 | Very high | 127 Ų | 127 | 90 Ų | 90 | 55% | 0.552 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -59.1 | -45.9 | 175.4 | -175 | 177.5 | 179.6 | -179.8 | 0 | 111.5 | M190 D198 | M190-K194 WeakPolarHBondContact O-CB 3.29Å; M190-K194 PolarHBondContact O-N 3.26Å; K194-D198 WeakPolarHBondContact O-CA 3.38Å; K194-D198 PolarHBondContact O-N 3.04Å |
| 195 | Q | 91.3 | Very high | 94.1 | Very high | 111 Ų | 111 | 89.6 Ų | 89.6 | 52% | 0.519 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.5 | -38.7 | 177.1 | -68.9 | 176.5 | 5 | 0 | 0 | 112.5 | A2 S191 R192 Q193 | A2-Q195 HydrophobicContact CB-CB 4.1Å; S191-Q195 WeakPolarHBondContact O-CG 3.5Å; R192-Q195 PolarHBondContact O-N 3.35Å; Q193-Q195 PolarHBondContact O-N 2.77Å |
| 196 | R | 90.1 | Very high | 93.9 | Very high | 168 Ų | 168 | 90.4 Ų | 90.4 | 63% | 0.634 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67 | -39.5 | 179.5 | -178.8 | -179.5 | 175.8 | 103 | 1.2 | 112.1 | R192 Q193 | R192-R196 WeakPolarHBondContact O-CB 3.36Å; R192-R196 PolarHBondContact O-N 2.72Å; Q193-R196 PolarHBondContact O-N 3.39Å |
| 197 | H | 93.3 | Very high | 93.5 | Very high | 65 Ų | 65 | 101.4 Ų | 101.4 | 30% | 0.301 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 18.3 | -174.5 | -66.7 | -65.8 | 0 | 0 | 0 | 113 | Q193 A199 L200 I201 | Q193-H197 WeakPolarHBondContact O-CB 3.35Å; Q193-H197 PolarHBondContact O-CD2 2.89Å; Q193-H197 PolarHBondContact O-N 2.98Å; Q193-H197 PolarHBondContact OE1-CD2 3.49Å; Q193-H197 VanDerWaalsContact OE1-CD2 3.24Å; Q193-H197 PolarHBondContact OE1-NE2 3.33Å; H197-A199 PolarHBondContact O-N 3.4Å; H197-L200 HydrophobicContact CB-CB 4.32Å; H197-L200 HydrophobicContact CB-CD2 4.42Å; H197-L200 CarbonylContact O-C 3.52Å; H197-L200 WeakPolarHBondContact O-CA 3.49Å; H197-L200 WeakPolarHBondContact O-CB 3.45Å; H197-L200 PolarHBondContact O-N 3.06Å; H197-I201 HydrophobicContact CB-CD1 3.94Å; H197-I201 HydrophobicContact CB-CG1 4.13Å; H197-I201 WeakPolarHBondContact O-CB 3.35Å; H197-I201 VanDerWaalsContact O-CG1 3.29Å; H197-I201 WeakPolarHBondContact O-CG1 3.34Å; H197-I201 PolarHBondContact O-N 3.48Å |
| 198 | D | 94.4 | Very high | 93.6 | Very high | 94 Ų | 94 | 104.9 Ų | 104.9 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -49.7 | -56.2 | -175.2 | -174.6 | 69.7 | 0 | 0 | 0 | 112.1 | K194 L200 I201 S202 | K194-D198 WeakPolarHBondContact O-CA 3.38Å; K194-D198 PolarHBondContact O-N 3.04Å; D198-L200 VanDerWaalsContact C-N 3.32Å; D198-L200 PolarHBondContact O-N 3.46Å; D198-I201 PolarHBondContact O-N 3.02Å; D198-S202 PolarHBondContact O-N 2.94Å; D198-S202 PolarHBondContact O-OG 3.42Å; D198-S202 VanDerWaalsContact O-OG 3.08Å |
| 199 | A | 95.1 | Very high | 93.6 | Very high | 80 Ų | 80 | 105.4 Ų | 105.4 | 66% | 0.661 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.5 | -36.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | H197 K203 | H197-A199 PolarHBondContact O-N 3.4Å; A199-K203 WeakPolarHBondContact O-CB 3.39Å; A199-K203 PolarHBondContact O-N 3.43Å |
| 200 | L | 95.8 | Very high | 93.5 | Very high | 88 Ų | 88 | 105.6 Ų | 105.6 | 46% | 0.461 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.2 | -47.3 | 176.4 | 171.1 | 63.7 | 0 | 0 | 0 | 110.3 | H197 D198 K203 L204 | H197-L200 HydrophobicContact CB-CB 4.32Å; H197-L200 HydrophobicContact CB-CD2 4.42Å; H197-L200 CarbonylContact O-C 3.52Å; H197-L200 WeakPolarHBondContact O-CA 3.49Å; H197-L200 WeakPolarHBondContact O-CB 3.45Å; H197-L200 PolarHBondContact O-N 3.06Å; D198-L200 VanDerWaalsContact C-N 3.32Å; D198-L200 PolarHBondContact O-N 3.46Å; L200-K203 PolarHBondContact O-N 3.43Å; L200-L204 HydrophobicContact CD1-CD1 3.96Å; L200-L204 HydrophobicContact CD1-CG 4.1Å; L200-L204 HydrophobicContact CG-CD1 3.94Å; L200-L204 HydrophobicContact CG-CG 4.47Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.49Å; L200-L204 PolarHBondContact O-N 3.08Å |
| 201 | I | 96.6 | Very high | 93.5 | Very high | 62 Ų | 62 | 102.9 Ų | 102.9 | 32% | 0.318 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 179.5 | -67.2 | 164.3 | 0 | 0 | 0 | 109.5 | H197 D198 K203 L204 L205 | H197-I201 HydrophobicContact CB-CD1 3.94Å; H197-I201 HydrophobicContact CB-CG1 4.13Å; H197-I201 WeakPolarHBondContact O-CB 3.35Å; H197-I201 VanDerWaalsContact O-CG1 3.29Å; H197-I201 WeakPolarHBondContact O-CG1 3.34Å; H197-I201 PolarHBondContact O-N 3.48Å; D198-I201 PolarHBondContact O-N 3.02Å; I201-K203 VanDerWaalsContact C-N 3.3Å; I201-K203 PolarHBondContact O-N 2.88Å; I201-L204 PolarHBondContact O-N 2.68Å; I201-L205 HydrophobicContact CG2-CD1 3.79Å; I201-L205 HydrophobicContact CG2-CG 4.47Å; I201-L205 VanDerWaalsContact O-CG 3.29Å; I201-L205 WeakPolarHBondContact O-CG 3.44Å; I201-L205 PolarHBondContact O-N 3.16Å; I201-L205 VanDerWaalsContact O-N 3.08Å |
| 202 | S | 97.1 | Very high | 93.6 | Very high | 66 Ų | 66 | 104.3 Ų | 104.3 | 46% | 0.462 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -57.9 | -42.1 | 175.4 | -61 | 0 | 0 | 0 | 0 | 112.2 | D198 L205 A206 | D198-S202 PolarHBondContact O-N 2.94Å; D198-S202 PolarHBondContact O-OG 3.42Å; D198-S202 VanDerWaalsContact O-OG 3.08Å; S202-L205 PolarHBondContact O-N 3.31Å; S202-A206 PolarHBondContact O-N 3.01Å; S202-A206 VanDerWaalsContact O-N 3.13Å |
| 203 | K | 97.2 | Very high | 93.9 | Very high | 166 Ų | 166 | 109.5 Ų | 109.5 | 72% | 0.722 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.6 | -38 | 177.4 | -174.8 | 178.6 | 179.1 | -179.9 | 0 | 112.7 | A199 L200 I201 L205 A206 | A199-K203 WeakPolarHBondContact O-CB 3.39Å; A199-K203 PolarHBondContact O-N 3.43Å; L200-K203 PolarHBondContact O-N 3.43Å; I201-K203 VanDerWaalsContact C-N 3.3Å; I201-K203 PolarHBondContact O-N 2.88Å; K203-L205 PolarHBondContact O-N 3.41Å; K203-A206 PolarHBondContact O-N 2.76Å |
| 204 | L | 96.7 | Very high | 93.9 | Very high | 130 Ų | 130 | 114.2 Ų | 114.2 | 68% | 0.681 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.8 | -21.7 | 177.9 | -72.1 | 171 | 0 | 0 | 0 | 113 | L200 I201 | L200-L204 HydrophobicContact CD1-CD1 3.96Å; L200-L204 HydrophobicContact CD1-CG 4.1Å; L200-L204 HydrophobicContact CG-CD1 3.94Å; L200-L204 HydrophobicContact CG-CG 4.47Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.49Å; L200-L204 PolarHBondContact O-N 3.08Å; I201-L204 PolarHBondContact O-N 2.68Å |
| 205 | L | 96.5 | Very high | 93.9 | Very high | 133 Ų | 133 | 113.2 Ų | 113.2 | 70% | 0.696 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 0.1 | 178.6 | -63.3 | 174.9 | 0 | 0 | 0 | 113.1 | I201 S202 K203 | I201-L205 HydrophobicContact CG2-CD1 3.79Å; I201-L205 HydrophobicContact CG2-CG 4.47Å; I201-L205 VanDerWaalsContact O-CG 3.29Å; I201-L205 WeakPolarHBondContact O-CG 3.44Å; I201-L205 PolarHBondContact O-N 3.16Å; I201-L205 VanDerWaalsContact O-N 3.08Å; S202-L205 PolarHBondContact O-N 3.31Å; K203-L205 PolarHBondContact O-N 3.41Å |
| 206 | A | 92.3 | Very high | 94.1 | Very high | 69 Ų | 69 | 113.4 Ų | 113.4 | 57% | 0.57 | 61% | 0.608 | S | S | * | * | trans | -78.9 | 136.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | S202 K203 | S202-A206 PolarHBondContact O-N 3.01Å; S202-A206 VanDerWaalsContact O-N 3.13Å; K203-A206 PolarHBondContact O-N 2.76Å | ||
| 207 | D | 84.2 | Confident | 94.5 | Very high | 240 Ų | 240 | 108.5 Ų | 108.5 | 100% | 1.283 | 61% | 0.605 | S | S | * | * | trans | -60.3 | 0 | -179.8 | -63.9 | -38.3 | 0 | 0 | 0 | 113.9 |
Retrieved 207 of 207 residues in 103.8 ms
(Link to these results)