| 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 | 60 | Low | 88 | Confident | 127 Ų | 127 | 55.4 Ų | 55.4 | 63% | 0.626 | 29% | 0.285 | S | S | * | . | 0 | 128.7 | 0 | -172.3 | -175.3 | 176.3 | 0 | 0 | 108.1 | K229 L233 | M1-K229 WeakPolarHBondContact CE-O 3.13Å; M1-L233 HydrophobicContact CE-CB 3.67Å; M1-L233 HydrophobicContact CE-CD1 4.41Å; M1-L233 HydrophobicContact SD-CB 4.21Å; M1-L233 HydrophobicContact SD-CD1 3.83Å; M1-L233 HydrophobicContact SD-CG 4.47Å | |||
| 2 | N | 70.3 | Confident | 88.8 | Confident | 125 Ų | 125 | 50.8 Ų | 50.8 | 67% | 0.668 | 26% | 0.262 | S | S | * | . | trans | -89.7 | 103.1 | 175.3 | -172.9 | 1.7 | 0 | 0 | 0 | 109 | G4 | N2-G4 PolarHBondContact O-N 2.77Å; N2-G4 PolarHBondContact OD1-N 3.31Å; N2-G4 VanDerWaalsContact OD1-N 3.12Å | ||
| 3 | T | 77.2 | Confident | 89.5 | Confident | 20 Ų | 20 | 47.6 Ų | 47.6 | 12% | 0.123 | 25% | 0.246 | C | C | . | . | trans | -73.1 | -15.9 | 179.6 | 45.4 | 0 | 0 | 0 | 0 | 112.4 | P147 I221 | T3-P147 WeakPolarHBondContact OG1-CD 3.42Å; T3-P147 WeakPolarHBondContact OG1-CG 3.29Å; T3-I221 HydrophobicContact CG2-CD1 4.21Å; T3-I221 HydrophobicContact CG2-CG2 3.98Å | ||
| 4 | G | 85.6 | Confident | 89.9 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 16% | 0.155 | 23% | 0.229 | C | C | . | . | trans | 81.4 | 153.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N2 P147 | N2-G4 PolarHBondContact O-N 2.77Å; N2-G4 PolarHBondContact OD1-N 3.31Å; N2-G4 VanDerWaalsContact OD1-N 3.12Å; G4-P147 WeakPolarHBondContact O-CD 3.37Å | ||
| 5 | P | 92.9 | Very high | 90.3 | Very high | 48 Ų | 48 | 43.9 Ų | 43.9 | 31% | 0.312 | 23% | 0.226 | S | C | . | . | trans | -69.6 | 153.4 | 177.3 | 28.2 | -32.8 | 0 | 0 | 0 | 111.4 | Y7 E144 H145 | P5-Y7 HydrophobicContact CB-CE2 4.5Å; P5-Y7 HydrophobicContact CG-CE2 4.47Å; P5-E144 HydrophobicContact CB-CG 3.66Å; P5-H145 WeakPolarHBondContact CA-O 3.44Å | ||
| 6 | Y | 95.2 | Very high | 90.7 | Very high | 34 Ų | 34 | 43.3 Ų | 43.3 | 13% | 0.133 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 165.3 | 158 | 66.9 | -85.3 | 0 | 0 | 0 | 108.9 | L120 L121 H145 P147 F224 | Y6-L120 HydrophobicContact CD2-CD2 4Å; Y6-L120 HydrophobicContact CE2-CD2 3.93Å; Y6-L121 CarbonylContact C-O 3.59Å; Y6-L121 WeakPolarHBondContact CA-O 3.44Å; Y6-H145 HydrophobicContact CD1-CB 4.25Å; Y6-H145 HydrophobicContact CD2-CB 4.04Å; Y6-H145 HydrophobicContact CE1-CB 3.76Å; Y6-H145 HydrophobicContact CE2-CB 3.53Å; Y6-H145 HydrophobicContact CG-CB 4.37Å; Y6-H145 PolarHBondContact N-O 3.09Å; Y6-H145 PolarHBondContact O-N 3.27Å; Y6-H145 VanDerWaalsContact O-O 3.09Å; Y6-P147 HydrophobicContact CD1-CG 4Å; Y6-P147 HydrophobicContact CE1-CG 4.08Å; Y6-F224 HydrophobicContact CD1-CB 4.27Å; Y6-F224 HydrophobicContact CD2-CB 3.76Å; Y6-F224 HydrophobicContact CE2-CB 4.4Å; Y6-F224 HydrophobicContact CG-CB 3.69Å |
| 7 | Y | 96.7 | Very high | 91.1 | Very high | 22 Ų | 22 | 40.8 Ų | 40.8 | 9% | 0.086 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.9 | -172.1 | -52.6 | -88.5 | 0 | 0 | 0 | 110.1 | P5 L120 L121 M133 M134 I142 Q143 E144 | P5-Y7 HydrophobicContact CB-CE2 4.5Å; P5-Y7 HydrophobicContact CG-CE2 4.47Å; Y7-L120 CarbonylContact O-C 3.55Å; Y7-L120 WeakPolarHBondContact O-CA 3.46Å; Y7-L121 PolarHBondContact N-O 3.23Å; Y7-L121 PolarHBondContact O-N 3.15Å; Y7-M133 HydrophobicContact CD1-CB 4.35Å; Y7-M133 HydrophobicContact CD2-CB 3.8Å; Y7-M133 HydrophobicContact CD2-CG 4Å; Y7-M133 HydrophobicContact CD2-SD 3.4Å; Y7-M133 WeakPolarHBondContact CD2-SD 3.07Å; Y7-M133 HydrophobicContact CE1-CB 4.35Å; Y7-M133 HydrophobicContact CE2-CB 3.8Å; Y7-M133 HydrophobicContact CE2-CG 4Å; Y7-M133 HydrophobicContact CE2-SD 3.94Å; Y7-M133 HydrophobicContact CG-CB 4.07Å; Y7-M133 HydrophobicContact CG-SD 4.12Å; Y7-M134 HydrophobicContact CD1-CG 4.02Å; Y7-M134 HydrophobicContact CD1-SD 3.65Å; Y7-M134 HydrophobicContact CE1-CG 3.57Å; Y7-M134 HydrophobicContact CE1-SD 3.82Å; Y7-I142 HydrophobicContact CD1-CD1 4.07Å; Y7-I142 HydrophobicContact CD1-CG1 4.37Å; Y7-I142 HydrophobicContact CG-CD1 4.21Å; Y7-Q143 CarbonylContact C-O 3.52Å; Y7-Q143 VanDerWaalsContact CA-O 3.27Å; Y7-Q143 WeakPolarHBondContact CA-O 3.04Å; Y7-E144 HydrophobicContact CD1-CB 3.9Å; Y7-E144 HydrophobicContact CD1-CG 4.04Å; Y7-E144 HydrophobicContact CE1-CB 3.84Å; Y7-E144 HydrophobicContact CE1-CG 3.64Å |
| 8 | F | 97.7 | Very high | 91.3 | Very high | 30 Ų | 30 | 38.6 Ų | 38.6 | 13% | 0.132 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.1 | 168.6 | 172.4 | -105.3 | 0 | 0 | 0 | 108.4 | K10 Y37 D118 F119 L120 I142 Q143 | F8-K10 HydrophobicContact CE1-CB 4.03Å; F8-K10 HydrophobicContact CE1-CG 4.42Å; F8-K10 HydrophobicContact CZ-CB 4.26Å; F8-K10 HydrophobicContact CZ-CG 4.34Å; F8-Y37 HydrophobicContact CD2-CD1 4.04Å; F8-Y37 AromaticContact CE2-CD1 3.68Å; F8-Y37 HydrophobicContact CE2-CD1 3.68Å; F8-Y37 HydrophobicContact CE2-CE1 4.42Å; F8-Y37 HydrophobicContact CE2-CG 4.49Å; F8-D118 HydrophobicContact CE2-CB 3.81Å; F8-D118 HydrophobicContact CZ-CB 4.06Å; F8-F119 CarbonylContact C-O 3.51Å; F8-F119 WeakPolarHBondContact CA-O 3.21Å; F8-L120 HydrophobicContact CD2-CD2 4.42Å; F8-I142 CarbonylContact O-C 3.48Å; F8-I142 VanDerWaalsContact O-CA 3.31Å; F8-I142 WeakPolarHBondContact O-CA 2.88Å; F8-Q143 PolarHBondContact N-O 3.11Å; F8-Q143 PolarHBondContact O-N 2.95Å |
| 9 | V | 97.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119 | 176.7 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | L12 D118 F119 L121 F137 Y140 Q141 I142 | V9-L12 HydrophobicContact CG1-CB 3.98Å; V9-L12 HydrophobicContact CG1-CD1 4.19Å; V9-L12 HydrophobicContact CG1-CD2 4.39Å; V9-L12 HydrophobicContact CG1-CG 4.42Å; V9-D118 WeakPolarHBondContact O-CA 3.33Å; V9-F119 PolarHBondContact N-O 2.81Å; V9-F119 PolarHBondContact O-N 2.88Å; V9-L121 HydrophobicContact CB-CD1 4.28Å; V9-L121 HydrophobicContact CG2-CD1 3.52Å; V9-F137 HydrophobicContact CG2-CB 4.41Å; V9-F137 HydrophobicContact CG2-CD2 4.47Å; V9-F137 HydrophobicContact CG2-CG 4.45Å; V9-Y140 HydrophobicContact CG1-CG 4.46Å; V9-Q141 WeakPolarHBondContact CA-O 3.03Å; V9-I142 HydrophobicContact CG2-CB 4.02Å; V9-I142 HydrophobicContact CG2-CD1 3.71Å; V9-I142 HydrophobicContact CG2-CG1 3.72Å |
| 10 | K | 97.6 | Very high | 91.5 | Very high | 101 Ų | 101 | 37.7 Ų | 37.7 | 44% | 0.439 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 137.8 | -178.3 | -159.4 | -178 | -176.7 | 170.4 | 0 | 112.1 | F8 L12 D118 Q141 | F8-K10 HydrophobicContact CE1-CB 4.03Å; F8-K10 HydrophobicContact CE1-CG 4.42Å; F8-K10 HydrophobicContact CZ-CB 4.26Å; F8-K10 HydrophobicContact CZ-CG 4.34Å; K10-L12 VanDerWaalsContact C-N 3.25Å; K10-L12 PolarHBondContact O-N 3.05Å; K10-D118 WeakPolarHBondContact CA-OD1 3.13Å; K10-D118 WeakPolarHBondContact CG-OD1 3.48Å; K10-Q141 HydrophobicContact CB-CB 4.01Å; K10-Q141 PolarHBondContact N-O 3.17Å |
| 11 | N | 96.7 | Very high | 91.6 | Very high | 87 Ų | 87 | 41.3 Ų | 41.3 | 47% | 0.465 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 52.8 | 39.7 | 169.7 | -161.7 | 20.4 | 0 | 0 | 0 | 113.6 | P13 K116 F117 D118 | N11-P13 WeakPolarHBondContact O-CD 3.25Å; N11-K116 WeakPolarHBondContact OD1-CB 3.43Å; N11-K116 WeakPolarHBondContact OD1-CD 3.27Å; N11-F117 CarbonylContact C-O 3.57Å; N11-F117 WeakPolarHBondContact CA-O 3.37Å; N11-F117 PolarHBondContact N-O 2.94Å; N11-D118 PolarHBondContact N-OD1 2.69Å |
| 12 | L | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 123.9 | -179.3 | -177.9 | 65.5 | 0 | 0 | 0 | 110 | V9 K10 E16 L17 K116 F117 F119 F137 Y140 | V9-L12 HydrophobicContact CG1-CB 3.98Å; V9-L12 HydrophobicContact CG1-CD1 4.19Å; V9-L12 HydrophobicContact CG1-CD2 4.39Å; V9-L12 HydrophobicContact CG1-CG 4.42Å; K10-L12 VanDerWaalsContact C-N 3.25Å; K10-L12 PolarHBondContact O-N 3.05Å; L12-E16 HydrophobicContact CD1-CB 4Å; L12-E16 HydrophobicContact CD1-CG 4Å; L12-L17 HydrophobicContact CD2-CD2 4Å; L12-L17 HydrophobicContact CD2-CG 4.43Å; L12-K116 WeakPolarHBondContact O-CA 3.24Å; L12-F117 PolarHBondContact N-O 3.31Å; L12-F117 PolarHBondContact O-N 3.13Å; L12-F117 VanDerWaalsContact O-N 3.08Å; L12-F119 HydrophobicContact CB-CD2 3.9Å; L12-F119 HydrophobicContact CB-CE2 4.33Å; L12-F119 HydrophobicContact CD2-CD2 3.94Å; L12-F119 HydrophobicContact CD2-CE2 4.39Å; L12-F119 HydrophobicContact CG-CD2 4.39Å; L12-F137 HydrophobicContact CD1-CD1 3.71Å; L12-F137 HydrophobicContact CD1-CE1 3.69Å; L12-F137 HydrophobicContact CD2-CD1 4.44Å; L12-F137 HydrophobicContact CD2-CE1 3.92Å; L12-F137 HydrophobicContact CD2-CZ 4.3Å; L12-F137 HydrophobicContact CG-CE1 4.47Å; L12-Y140 HydrophobicContact CD1-CD1 4.35Å; L12-Y140 HydrophobicContact CD1-CD2 3.83Å; L12-Y140 HydrophobicContact CD1-CE1 4.33Å; L12-Y140 HydrophobicContact CD1-CE2 3.79Å; L12-Y140 HydrophobicContact CD1-CG 4.13Å |
| 13 | P | 97.4 | Very high | 94.3 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 7% | 0.065 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 133.4 | 172.6 | -20.8 | 33.7 | 0 | 0 | 0 | 111.9 | N11 H15 E16 K116 Y140 | N11-P13 WeakPolarHBondContact O-CD 3.25Å; P13-H15 VanDerWaalsContact CB-CE1 3.45Å; P13-H15 WeakPolarHBondContact CB-CE1 2.98Å; P13-H15 WeakPolarHBondContact CB-ND1 2.85Å; P13-H15 PolarHBondContact O-N 2.92Å; P13-H15 VanDerWaalsContact O-N 3.12Å; P13-E16 HydrophobicContact CB-CG 4.37Å; P13-E16 WeakPolarHBondContact O-CB 3.25Å; P13-E16 PolarHBondContact O-N 3.02Å; P13-K116 HydrophobicContact CB-CG 4.36Å; P13-K116 HydrophobicContact CG-CD 4.38Å; P13-K116 HydrophobicContact CG-CG 4.3Å; P13-Y140 HydrophobicContact CG-CE1 4.08Å |
| 14 | L | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -60.5 | -29 | -176.6 | -174.8 | 57.3 | 0 | 0 | 0 | 113.2 | E16 L17 V47 L55 L57 F109 L115 F117 F119 | L14-E16 PolarHBondContact O-N 3.22Å; L14-L17 HydrophobicContact CD1-CD1 4.12Å; L14-L17 PolarHBondContact O-N 3.49Å; L14-V47 HydrophobicContact CD1-CG1 3.9Å; L14-V47 HydrophobicContact CD1-CG2 4.37Å; L14-V47 HydrophobicContact CD2-CG2 4.41Å; L14-L55 HydrophobicContact CD1-CD1 4.44Å; L14-L55 HydrophobicContact CD1-CD2 4.11Å; L14-L57 HydrophobicContact CD2-CD2 3.63Å; L14-L57 HydrophobicContact CD2-CG 4.22Å; L14-F109 HydrophobicContact CD2-CD1 3.99Å; L14-F109 HydrophobicContact CD2-CD2 4.18Å; L14-F109 HydrophobicContact CD2-CE1 3.62Å; L14-F109 HydrophobicContact CD2-CE2 3.86Å; L14-F109 HydrophobicContact CD2-CG 4.27Å; L14-F109 HydrophobicContact CD2-CZ 3.58Å; L14-F109 HydrophobicContact CG-CD2 3.99Å; L14-F109 HydrophobicContact CG-CE1 4.45Å; L14-F109 HydrophobicContact CG-CE2 3.93Å; L14-F109 HydrophobicContact CG-CG 4.32Å; L14-F109 HydrophobicContact CG-CZ 4.19Å; L14-L115 HydrophobicContact CB-CB 4.46Å; L14-L115 HydrophobicContact CD2-CD1 4.44Å; L14-L115 PolarHBondContact N-O 3.02Å; L14-F117 HydrophobicContact CD2-CE2 4.47Å; L14-F119 HydrophobicContact CD1-CZ 4.3Å |
| 15 | H | 95.8 | Very high | 95.3 | Very high | 39 Ų | 39 | 31.5 Ų | 31.5 | 18% | 0.181 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -64.4 | -21.2 | 179 | 76.2 | -99.6 | 0 | 0 | 0 | 113.6 | P13 L17 I18 T19 F109 K110 | P13-H15 VanDerWaalsContact CB-CE1 3.45Å; P13-H15 WeakPolarHBondContact CB-CE1 2.98Å; P13-H15 WeakPolarHBondContact CB-ND1 2.85Å; P13-H15 PolarHBondContact O-N 2.92Å; P13-H15 VanDerWaalsContact O-N 3.12Å; H15-L17 PolarHBondContact O-N 3.36Å; H15-I18 WeakPolarHBondContact O-CG1 3.3Å; H15-I18 PolarHBondContact O-N 3.46Å; H15-T19 WeakPolarHBondContact O-CG2 3.31Å; H15-F109 HydrophobicContact CB-CB 3.79Å; H15-K110 HydrophobicContact CB-CG 3.71Å |
| 16 | E | 96.6 | Very high | 95.3 | Very high | 35 Ų | 35 | 29.2 Ų | 29.2 | 16% | 0.164 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -63.4 | -34.1 | 177.1 | -69.8 | -72.3 | -177 | 0 | 0 | 111.2 | L12 P13 L14 I18 T19 F22 F137 Y140 | L12-E16 HydrophobicContact CD1-CB 4Å; L12-E16 HydrophobicContact CD1-CG 4Å; P13-E16 HydrophobicContact CB-CG 4.37Å; P13-E16 WeakPolarHBondContact O-CB 3.25Å; P13-E16 PolarHBondContact O-N 3.02Å; L14-E16 PolarHBondContact O-N 3.22Å; E16-I18 PolarHBondContact O-N 2.68Å; E16-T19 PolarHBondContact O-N 2.73Å; E16-T19 PolarHBondContact O-OG1 3.04Å; E16-F22 VanDerWaalsContact O-CB 3.31Å; E16-F22 WeakPolarHBondContact O-CB 3.25Å; E16-F137 HydrophobicContact CB-CE1 4.47Å; E16-Y140 HydrophobicContact CG-CE2 4.11Å; E16-Y140 WeakPolarHBondContact CG-OH 3.11Å; E16-Y140 PolarHBondContact OE1-OH 3.18Å |
| 17 | L | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -76.2 | -6.3 | -179.4 | -56.8 | -175.9 | 0 | 0 | 0 | 113.8 | L12 L14 H15 F22 L55 L90 F119 F137 | L12-L17 HydrophobicContact CD2-CD2 4Å; L12-L17 HydrophobicContact CD2-CG 4.43Å; L14-L17 HydrophobicContact CD1-CD1 4.12Å; L14-L17 PolarHBondContact O-N 3.49Å; H15-L17 PolarHBondContact O-N 3.36Å; L17-F22 HydrophobicContact CB-CD1 4.49Å; L17-F22 HydrophobicContact CB-CE1 4.23Å; L17-F22 HydrophobicContact CD2-CD2 4.25Å; L17-F22 HydrophobicContact CD2-CE1 4.16Å; L17-F22 HydrophobicContact CD2-CE2 3.67Å; L17-F22 HydrophobicContact CD2-CZ 3.61Å; L17-F22 WeakPolarHBondContact O-CD1 3.44Å; L17-F22 WeakPolarHBondContact O-CE1 3.46Å; L17-L55 HydrophobicContact CD1-CD1 4.21Å; L17-L90 WeakPolarHBondContact O-CD1 3.16Å; L17-F119 HydrophobicContact CD1-CE1 4.15Å; L17-F119 HydrophobicContact CD1-CE2 4.41Å; L17-F119 HydrophobicContact CD1-CZ 3.98Å; L17-F137 HydrophobicContact CD2-CZ 4.24Å |
| 18 | I | 95.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -115.1 | 6 | 177.9 | 68.6 | 165.9 | 0 | 0 | 0 | 112.7 | H15 E16 L55 L90 I105 F109 | H15-I18 WeakPolarHBondContact O-CG1 3.3Å; H15-I18 PolarHBondContact O-N 3.46Å; E16-I18 PolarHBondContact O-N 2.68Å; I18-L55 HydrophobicContact CG2-CD2 3.89Å; I18-L90 HydrophobicContact CB-CD2 4.37Å; I18-L90 HydrophobicContact CG2-CD2 3.75Å; I18-I105 HydrophobicContact CD1-CG2 3.76Å; I18-F109 HydrophobicContact CD1-CD2 3.72Å; I18-F109 HydrophobicContact CD1-CE2 4.31Å; I18-F109 HydrophobicContact CG1-CD2 4.43Å; I18-F109 HydrophobicContact CG2-CD2 4.42Å; I18-F109 HydrophobicContact CG2-CE2 4.22Å |
| 19 | T | 94.6 | Very high | 94.5 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 9% | 0.092 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -67.6 | 145.2 | 178.7 | 62 | 0 | 0 | 0 | 0 | 110.6 | H15 E16 E21 F22 I23 Y136 | H15-T19 WeakPolarHBondContact O-CG2 3.31Å; E16-T19 PolarHBondContact O-N 2.73Å; E16-T19 PolarHBondContact O-OG1 3.04Å; T19-E21 WeakPolarHBondContact CB-OE2 3.46Å; T19-E21 PolarHBondContact O-N 3.36Å; T19-F22 PolarHBondContact O-N 3.5Å; T19-F22 VanDerWaalsContact O-N 3.13Å; T19-F22 WeakPolarHBondContact OG1-CB 3.5Å; T19-F22 PolarHBondContact OG1-N 2.83Å; T19-I23 WeakPolarHBondContact O-CG1 3.48Å; T19-I23 PolarHBondContact O-N 2.78Å; T19-Y136 PolarHBondContact OG1-OH 3.01Å; T19-Y136 VanDerWaalsContact OG1-OH 3.05Å |
| 20 | P | 92.8 | Very high | 94.1 | Very high | 44 Ų | 44 | 35.3 Ų | 35.3 | 29% | 0.286 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -54.6 | -35.8 | 174.5 | -25.1 | 34.7 | 0 | 0 | 0 | 112.5 | S24 L97 | P20-S24 VanDerWaalsContact O-CB 3.29Å; P20-S24 WeakPolarHBondContact O-CB 3.34Å; P20-S24 PolarHBondContact O-N 3.33Å; P20-S24 PolarHBondContact O-OG 2.84Å; P20-L97 HydrophobicContact CB-CD1 4.15Å; P20-L97 HydrophobicContact CG-CD1 3.94Å; P20-L97 HydrophobicContact CG-CD2 3.94Å |
| 21 | E | 92.6 | Very high | 93.8 | Very high | 113 Ų | 113 | 32 Ų | 32 | 53% | 0.528 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.6 | -45.8 | 177.1 | -62.2 | 75 | -162.9 | 0 | 0 | 111.5 | T19 S24 T25 Y136 | T19-E21 WeakPolarHBondContact CB-OE2 3.46Å; T19-E21 PolarHBondContact O-N 3.36Å; E21-S24 WeakPolarHBondContact CA-OG 3.42Å; E21-S24 PolarHBondContact O-OG 2.97Å; E21-S24 VanDerWaalsContact O-OG 3.04Å; E21-T25 VanDerWaalsContact O-CB 3.25Å; E21-T25 WeakPolarHBondContact O-CB 3.42Å; E21-T25 PolarHBondContact O-N 2.99Å; E21-T25 PolarHBondContact O-OG1 2.9Å; E21-Y136 HydrophobicContact CB-CE2 4.32Å |
| 22 | F | 94.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.5 | -47.8 | 176.7 | 179.2 | -97.5 | 0 | 0 | 0 | 111 | E16 L17 T19 S24 T25 F26 I27 L49 L90 Y136 F137 | E16-F22 VanDerWaalsContact O-CB 3.31Å; E16-F22 WeakPolarHBondContact O-CB 3.25Å; L17-F22 HydrophobicContact CB-CD1 4.49Å; L17-F22 HydrophobicContact CB-CE1 4.23Å; L17-F22 HydrophobicContact CD2-CD2 4.25Å; L17-F22 HydrophobicContact CD2-CE1 4.16Å; L17-F22 HydrophobicContact CD2-CE2 3.67Å; L17-F22 HydrophobicContact CD2-CZ 3.61Å; L17-F22 WeakPolarHBondContact O-CD1 3.44Å; L17-F22 WeakPolarHBondContact O-CE1 3.46Å; T19-F22 PolarHBondContact O-N 3.5Å; T19-F22 VanDerWaalsContact O-N 3.13Å; T19-F22 WeakPolarHBondContact OG1-CB 3.5Å; T19-F22 PolarHBondContact OG1-N 2.83Å; F22-S24 PolarHBondContact O-N 3.46Å; F22-T25 PolarHBondContact O-N 2.86Å; F22-F26 AromaticContact CD2-CD2 3.45Å; F22-F26 HydrophobicContact CD2-CD2 3.45Å; F22-F26 VanDerWaalsContact CD2-CD2 3.45Å; F22-F26 HydrophobicContact CD2-CE2 4.01Å; F22-F26 HydrophobicContact CD2-CG 4.41Å; F22-F26 HydrophobicContact CE2-CB 4.3Å; F22-F26 AromaticContact CE2-CD2 3.59Å; F22-F26 HydrophobicContact CE2-CD2 3.59Å; F22-F26 HydrophobicContact CE2-CE2 4.27Å; F22-F26 HydrophobicContact CE2-CG 4.19Å; F22-F26 HydrophobicContact CG-CD2 4.19Å; F22-F26 HydrophobicContact CZ-CB 4.37Å; F22-F26 HydrophobicContact CZ-CD2 4.45Å; F22-F26 PolarHBondContact O-N 2.89Å; F22-I27 HydrophobicContact CD1-CG1 4.27Å; F22-I27 HydrophobicContact CE1-CD1 3.85Å; F22-I27 HydrophobicContact CE1-CG1 4.02Å; F22-L49 HydrophobicContact CE1-CD2 3.82Å; F22-L49 HydrophobicContact CZ-CD2 3.72Å; F22-L90 HydrophobicContact CE1-CD1 4.4Å; F22-Y136 WeakPolarHBondContact CA-OH 2.88Å; F22-Y136 HydrophobicContact CB-CE1 4.43Å; F22-Y136 WeakPolarHBondContact CB-OH 3.37Å; F22-Y136 AromaticContact CD2-CE1 3.96Å; F22-Y136 HydrophobicContact CD2-CE1 3.96Å; F22-Y136 PolarHBondContact N-OH 2.71Å; F22-Y136 VanDerWaalsContact N-OH 3.13Å; F22-F137 HydrophobicContact CD2-CZ 4.01Å; F22-F137 HydrophobicContact CE2-CE2 4.37Å; F22-F137 AromaticContact CE2-CZ 3.86Å; F22-F137 HydrophobicContact CE2-CZ 3.86Å |
| 23 | I | 93.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -64.9 | -45.3 | -176.3 | -59.8 | 165.6 | 0 | 0 | 0 | 110.8 | T19 T25 I27 K28 L90 | T19-I23 WeakPolarHBondContact O-CG1 3.48Å; T19-I23 PolarHBondContact O-N 2.78Å; I23-T25 VanDerWaalsContact C-N 3.29Å; I23-T25 PolarHBondContact O-N 3.08Å; I23-I27 HydrophobicContact CB-CG1 4.42Å; I23-I27 HydrophobicContact CG2-CB 3.99Å; I23-I27 HydrophobicContact CG2-CG1 4.24Å; I23-I27 HydrophobicContact CG2-CG2 4.43Å; I23-I27 WeakPolarHBondContact O-CB 3.37Å; I23-I27 PolarHBondContact O-N 2.8Å; I23-I27 VanDerWaalsContact O-N 3.17Å; I23-K28 HydrophobicContact CG2-CG 4.49Å; I23-K28 PolarHBondContact O-N 2.57Å; I23-L90 HydrophobicContact CD1-CB 4.21Å; I23-L90 HydrophobicContact CG1-CB 4.17Å |
| 24 | S | 91.6 | Very high | 93.6 | Very high | 52 Ų | 52 | 28.7 Ų | 28.7 | 36% | 0.364 | 15% | 0.15 | S | C | . | . | I | π-helix | trans | -65.9 | -30.6 | 177.9 | 58.5 | 0 | 0 | 0 | 0 | 113.4 | P20 E21 F22 K29 | P20-S24 VanDerWaalsContact O-CB 3.29Å; P20-S24 WeakPolarHBondContact O-CB 3.34Å; P20-S24 PolarHBondContact O-N 3.33Å; P20-S24 PolarHBondContact O-OG 2.84Å; E21-S24 WeakPolarHBondContact CA-OG 3.42Å; E21-S24 PolarHBondContact O-OG 2.97Å; E21-S24 VanDerWaalsContact O-OG 3.04Å; F22-S24 PolarHBondContact O-N 3.46Å; S24-K29 WeakPolarHBondContact O-CG 3.41Å |
| 25 | T | 91.3 | Very high | 93.6 | Very high | 28 Ų | 28 | 29.1 Ų | 29.1 | 17% | 0.172 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -84.5 | -49 | -177.8 | -55.4 | 0 | 0 | 0 | 0 | 112.4 | E21 F22 I23 K29 W123 | E21-T25 VanDerWaalsContact O-CB 3.25Å; E21-T25 WeakPolarHBondContact O-CB 3.42Å; E21-T25 PolarHBondContact O-N 2.99Å; E21-T25 PolarHBondContact O-OG1 2.9Å; F22-T25 PolarHBondContact O-N 2.86Å; I23-T25 VanDerWaalsContact C-N 3.29Å; I23-T25 PolarHBondContact O-N 3.08Å; T25-K29 WeakPolarHBondContact O-CB 3.45Å; T25-W123 WeakPolarHBondContact O-CZ2 3.49Å |
| 26 | F | 92.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -107.2 | -33.4 | -167.9 | -62.2 | -70.3 | 0 | 0 | 0 | 114.3 | F22 G30 C32 W123 M133 Y136 | F22-F26 AromaticContact CD2-CD2 3.45Å; F22-F26 HydrophobicContact CD2-CD2 3.45Å; F22-F26 VanDerWaalsContact CD2-CD2 3.45Å; F22-F26 HydrophobicContact CD2-CE2 4.01Å; F22-F26 HydrophobicContact CD2-CG 4.41Å; F22-F26 HydrophobicContact CE2-CB 4.3Å; F22-F26 AromaticContact CE2-CD2 3.59Å; F22-F26 HydrophobicContact CE2-CD2 3.59Å; F22-F26 HydrophobicContact CE2-CE2 4.27Å; F22-F26 HydrophobicContact CE2-CG 4.19Å; F22-F26 HydrophobicContact CG-CD2 4.19Å; F22-F26 HydrophobicContact CZ-CB 4.37Å; F22-F26 HydrophobicContact CZ-CD2 4.45Å; F22-F26 PolarHBondContact O-N 2.89Å; F26-G30 CarbonylContact O-C 3.53Å; F26-C32 HydrophobicContact CB-CB 4.01Å; F26-W123 AromaticContact CD1-CD2 3.7Å; F26-W123 HydrophobicContact CD1-CD2 3.7Å; F26-W123 AromaticContact CD1-CE2 3.89Å; F26-W123 AromaticContact CD1-CE3 3.91Å; F26-W123 HydrophobicContact CD1-CE3 3.91Å; F26-W123 HydrophobicContact CD1-CG 4.03Å; F26-W123 HydrophobicContact CD1-CH2 4.45Å; F26-W123 HydrophobicContact CD1-CZ2 4.28Å; F26-W123 HydrophobicContact CD1-CZ3 4.28Å; F26-W123 HydrophobicContact CE1-CD2 4.28Å; F26-W123 HydrophobicContact CE1-CE3 4.01Å; F26-W123 HydrophobicContact CE1-CZ3 4.24Å; F26-W123 PolarHBondContact O-NE1 3.43Å; F26-M133 HydrophobicContact CE1-CG 3.87Å; F26-M133 HydrophobicContact CZ-CG 4.25Å; F26-Y136 AromaticContact CE2-CD1 3.72Å; F26-Y136 HydrophobicContact CE2-CD1 3.72Å; F26-Y136 AromaticContact CE2-CD2 3.66Å; F26-Y136 HydrophobicContact CE2-CD2 3.66Å; F26-Y136 HydrophobicContact CE2-CE1 4.15Å; F26-Y136 HydrophobicContact CE2-CE2 4.09Å; F26-Y136 AromaticContact CE2-CG 3.47Å; F26-Y136 HydrophobicContact CE2-CG 3.47Å; F26-Y136 VanDerWaalsContact CE2-CG 3.47Å; F26-Y136 HydrophobicContact CZ-CD1 4.34Å; F26-Y136 HydrophobicContact CZ-CD2 4.18Å; F26-Y136 AromaticContact CZ-CG 3.83Å; F26-Y136 HydrophobicContact CZ-CG 3.83Å |
| 27 | I | 92.8 | Very high | 93.5 | Very high | 17 Ų | 17 | 30.5 Ų | 30.5 | 9% | 0.087 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -85.7 | -41.7 | -177.5 | -50.7 | -60 | 0 | 0 | 0 | 110.9 | F22 I23 G30 C32 L49 L90 M91 | F22-I27 HydrophobicContact CD1-CG1 4.27Å; F22-I27 HydrophobicContact CE1-CD1 3.85Å; F22-I27 HydrophobicContact CE1-CG1 4.02Å; I23-I27 HydrophobicContact CB-CG1 4.42Å; I23-I27 HydrophobicContact CG2-CB 3.99Å; I23-I27 HydrophobicContact CG2-CG1 4.24Å; I23-I27 HydrophobicContact CG2-CG2 4.43Å; I23-I27 WeakPolarHBondContact O-CB 3.37Å; I23-I27 PolarHBondContact O-N 2.8Å; I23-I27 VanDerWaalsContact O-N 3.17Å; I27-G30 VanDerWaalsContact O-O 3.1Å; I27-C32 HydrophobicContact CD1-CB 3.93Å; I27-L49 HydrophobicContact CD1-CD1 4.11Å; I27-L49 HydrophobicContact CD1-CD2 3.87Å; I27-L49 HydrophobicContact CD1-CG 4.39Å; I27-L90 HydrophobicContact CD1-CD1 4.06Å; I27-L90 HydrophobicContact CG1-CD1 4.08Å; I27-M91 HydrophobicContact CG2-CG 4.01Å; I27-M91 HydrophobicContact CG2-SD 3.72Å |
| 28 | K | 90.9 | Very high | 93.3 | Very high | 106 Ų | 106 | 36 Ų | 36 | 46% | 0.461 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -80.2 | -22.4 | -178.8 | -68.7 | -174.1 | -179.7 | 177.2 | 0 | 114.1 | I23 M91 S94 | I23-K28 HydrophobicContact CG2-CG 4.49Å; I23-K28 PolarHBondContact O-N 2.57Å; K28-M91 HydrophobicContact CG-CE 4.2Å; K28-M91 HydrophobicContact CG-SD 3.85Å; K28-S94 WeakPolarHBondContact CE-OG 3.37Å; K28-S94 PolarHBondContact NZ-OG 2.81Å; K28-S94 VanDerWaalsContact NZ-OG 3.1Å |
| 29 | K | 89.9 | Confident | 93 | Very high | 81 Ų | 81 | 36.8 Ų | 36.8 | 35% | 0.352 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -111.2 | 14.4 | -175.5 | -54.2 | -175.5 | -176.4 | -166.3 | 0 | 114 | S24 T25 W123 T126 E129 | S24-K29 WeakPolarHBondContact O-CG 3.41Å; T25-K29 WeakPolarHBondContact O-CB 3.45Å; K29-W123 HydrophobicContact CB-CZ2 4.18Å; K29-T126 PolarHBondContact O-N 3.37Å; K29-T126 PolarHBondContact O-OG1 2.95Å; K29-T126 VanDerWaalsContact O-OG1 3.12Å; K29-E129 VanDerWaalsContact NZ-CD 3.28Å; K29-E129 IonicContact NZ-OE1 3.53Å; K29-E129 PolarHBondContact NZ-OE1 2.82Å; K29-E129 VanDerWaalsContact NZ-OE1 3.17Å; K29-E129 IonicContact NZ-OE2 2.71Å; K29-E129 PolarHBondContact NZ-OE2 3.3Å |
| 30 | G | 89.4 | Confident | 92.7 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 10% | 0.103 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.8 | -166.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F26 I27 H124 | F26-G30 CarbonylContact O-C 3.53Å; I27-G30 VanDerWaalsContact O-O 3.1Å; G30-H124 WeakPolarHBondContact CA-O 3.42Å |
| 31 | S | 91 | Very high | 92.3 | Very high | 30 Ų | 30 | 39 Ų | 39 | 21% | 0.21 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 105 | -179.4 | -63.7 | 0 | 0 | 0 | 0 | 109.2 | Y33 W123 H124 | S31-Y33 WeakPolarHBondContact O-CD2 3.35Å; S31-W123 WeakPolarHBondContact O-CA 3.49Å; S31-H124 PolarHBondContact N-O 2.82Å; S31-H124 PolarHBondContact O-N 2.89Å |
| 32 | C | 94.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 135 | 179.9 | -166.4 | 0 | 0 | 0 | 0 | 110.1 | F26 I27 L49 L50 | F26-C32 HydrophobicContact CB-CB 4.01Å; I27-C32 HydrophobicContact CD1-CB 3.93Å; C32-L49 HydrophobicContact CB-CD2 4.08Å; C32-L50 CarbonylContact O-C 3.58Å |
| 33 | Y | 95.6 | Very high | 91.5 | Very high | 25 Ų | 25 | 43 Ų | 43 | 10% | 0.098 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 131.2 | 178.8 | -63.1 | -103.5 | 0 | 0 | 0 | 108 | S31 L49 P51 L121 A122 L226 P227 E228 | S31-Y33 WeakPolarHBondContact O-CD2 3.35Å; Y33-L49 WeakPolarHBondContact CA-O 3Å; Y33-P51 HydrophobicContact CD1-CG 4.44Å; Y33-P51 HydrophobicContact CE1-CB 3.85Å; Y33-P51 VanDerWaalsContact CE1-CD 3.47Å; Y33-P51 HydrophobicContact CE1-CG 3.58Å; Y33-P51 HydrophobicContact CE2-CB 3.89Å; Y33-P51 VanDerWaalsContact CZ-CB 3.44Å; Y33-P51 WeakPolarHBondContact OH-CB 3.28Å; Y33-P51 WeakPolarHBondContact OH-CG 3.1Å; Y33-L121 WeakPolarHBondContact O-CA 3.27Å; Y33-A122 PolarHBondContact N-O 3.16Å; Y33-A122 PolarHBondContact O-N 3.27Å; Y33-L226 HydrophobicContact CD1-CD2 4.07Å; Y33-L226 HydrophobicContact CD2-CD1 4.06Å; Y33-L226 HydrophobicContact CD2-CD2 3.3Å; Y33-L226 HydrophobicContact CD2-CG 4.26Å; Y33-L226 HydrophobicContact CE1-CD2 4.45Å; Y33-L226 HydrophobicContact CE2-CD1 4.12Å; Y33-L226 HydrophobicContact CE2-CD2 3.77Å; Y33-L226 HydrophobicContact CE2-CG 4.4Å; Y33-L226 HydrophobicContact CG-CD2 3.48Å; Y33-L226 VanDerWaalsContact CG-CD2 3.48Å; Y33-P227 HydrophobicContact CE1-CG 3.88Å; Y33-E228 PolarHBondContact OH-OE1 3.29Å; Y33-E228 PolarHBondContact OH-OE2 3.32Å |
| 34 | A | 96.9 | Very high | 91.4 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 143.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | A48 L49 F119 L120 L121 | A34-A48 CarbonylContact O-C 3.56Å; A34-A48 VanDerWaalsContact O-CA 3.24Å; A34-A48 WeakPolarHBondContact O-CA 3.46Å; A34-L49 HydrophobicContact CB-CB 3.5Å; A34-L49 HydrophobicContact CB-CD2 4.28Å; A34-L49 PolarHBondContact N-O 2.83Å; A34-L49 VanDerWaalsContact N-O 3.15Å; A34-L49 PolarHBondContact O-N 3.42Å; A34-F119 HydrophobicContact CB-CD1 4.04Å; A34-F119 HydrophobicContact CB-CE1 4.43Å; A34-L120 CarbonylContact C-O 3.6Å; A34-L120 VanDerWaalsContact CA-O 3.29Å; A34-L120 WeakPolarHBondContact CA-O 3.48Å; A34-L121 HydrophobicContact CB-CD2 3.3Å |
| 35 | L | 96.5 | Very high | 91.6 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 132.8 | 173.4 | 177.3 | 61.5 | 0 | 0 | 0 | 109.4 | A48 F119 L120 F224 F257 | L35-A48 HydrophobicContact CD1-CB 4.3Å; L35-F119 CarbonylContact O-C 3.57Å; L35-F119 WeakPolarHBondContact O-CA 3.25Å; L35-L120 PolarHBondContact N-O 2.82Å; L35-L120 PolarHBondContact O-N 3.38Å; L35-F224 HydrophobicContact CB-CE2 3.98Å; L35-F224 HydrophobicContact CB-CZ 4.1Å; L35-F224 HydrophobicContact CD2-CE2 4.29Å; L35-F257 HydrophobicContact CD2-CB 3.72Å; L35-F257 HydrophobicContact CD2-CD1 3.87Å; L35-F257 HydrophobicContact CD2-CD2 3.81Å; L35-F257 HydrophobicContact CD2-CE1 4.46Å; L35-F257 HydrophobicContact CD2-CE2 4.44Å; L35-F257 HydrophobicContact CD2-CG 3.51Å |
| 36 | T | 96.6 | Very high | 91.8 | Very high | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.043 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 137.6 | 171.1 | 47.6 | 0 | 0 | 0 | 0 | 110.6 | T39 T46 V47 F117 D118 F119 | T36-T39 PolarHBondContact OG1-OG1 3.12Å; T36-T46 WeakPolarHBondContact OG1-CA 3.16Å; T36-T46 WeakPolarHBondContact OG1-CB 3.44Å; T36-V47 HydrophobicContact CG2-CB 3.71Å; T36-V47 HydrophobicContact CG2-CG2 4.11Å; T36-V47 VanDerWaalsContact CG2-N 3.29Å; T36-V47 PolarHBondContact N-O 3.08Å; T36-V47 PolarHBondContact OG1-N 2.96Å; T36-V47 VanDerWaalsContact OG1-N 3.12Å; T36-V47 PolarHBondContact OG1-O 3.05Å; T36-F117 HydrophobicContact CG2-CB 3.69Å; T36-F117 HydrophobicContact CG2-CD1 3.87Å; T36-F117 HydrophobicContact CG2-CD2 4.29Å; T36-F117 HydrophobicContact CG2-CG 3.69Å; T36-D118 CarbonylContact C-O 3.53Å; T36-D118 WeakPolarHBondContact CA-O 3.45Å; T36-F119 HydrophobicContact CG2-CD1 4.18Å; T36-F119 HydrophobicContact CG2-CE1 3.63Å; T36-F119 HydrophobicContact CG2-CZ 3.88Å |
| 37 | Y | 94.8 | Very high | 91.9 | Very high | 95 Ų | 95 | 43 Ų | 43 | 37% | 0.373 | 21% | 0.211 | S | C | . | . | trans | -115.6 | 147.4 | -175 | -170.9 | -117.2 | 0 | 0 | 0 | 111.2 | F8 T39 D118 L120 | F8-Y37 HydrophobicContact CD2-CD1 4.04Å; F8-Y37 AromaticContact CE2-CD1 3.68Å; F8-Y37 HydrophobicContact CE2-CD1 3.68Å; F8-Y37 HydrophobicContact CE2-CE1 4.42Å; F8-Y37 HydrophobicContact CE2-CG 4.49Å; Y37-T39 VanDerWaalsContact C-N 3.27Å; Y37-T39 PolarHBondContact O-N 3.21Å; Y37-D118 PolarHBondContact N-O 3.21Å; Y37-L120 HydrophobicContact CD2-CD1 3.56Å; Y37-L120 HydrophobicContact CD2-CD2 4.36Å; Y37-L120 HydrophobicContact CD2-CG 3.83Å; Y37-L120 HydrophobicContact CE2-CD1 4.05Å; Y37-L120 HydrophobicContact CG-CD1 4.25Å; Y37-L120 HydrophobicContact CG-CD2 4.39Å; Y37-L120 HydrophobicContact CG-CG 4Å | ||
| 38 | N | 90.9 | Very high | 92.1 | Very high | 117 Ų | 117 | 42.4 Ų | 42.4 | 63% | 0.626 | 21% | 0.209 | S | C | * | . | S | Bend | trans | 55.2 | 39.7 | -175.3 | -60.5 | -31.5 | 0 | 0 | 0 | 113.6 | ||
| 39 | T | 89.4 | Confident | 92.4 | Very high | 18 Ų | 18 | 37.5 Ų | 37.5 | 11% | 0.11 | 19% | 0.187 | C | C | . | . | trans | -121.2 | 143.4 | 175.9 | 52.9 | 0 | 0 | 0 | 0 | 109.1 | T36 Y37 D44 T46 D259 | T36-T39 PolarHBondContact OG1-OG1 3.12Å; Y37-T39 VanDerWaalsContact C-N 3.27Å; Y37-T39 PolarHBondContact O-N 3.21Å; T39-D44 WeakPolarHBondContact CA-OD2 3.17Å; T39-D44 HydrophobicContact CG2-CB 4.34Å; T39-T46 WeakPolarHBondContact OG1-CG2 3.36Å; T39-D259 WeakPolarHBondContact O-CB 3.24Å; T39-D259 VanDerWaalsContact O-CG 3.29Å | ||
| 40 | H | 87.9 | Confident | 92.6 | Very high | 97 Ų | 97 | 34.8 Ų | 34.8 | 45% | 0.449 | 18% | 0.176 | S | C | . | . | trans | -99.2 | 122.6 | 172.9 | -54.1 | 89.3 | 0 | 0 | 0 | 109.2 | D42 E43 D44 D259 | H40-D42 WeakPolarHBondContact CB-OD1 3.42Å; H40-D42 PolarHBondContact O-N 3.3Å; H40-D42 VanDerWaalsContact O-N 3.17Å; H40-E43 HydrophobicContact CB-CB 4.36Å; H40-E43 PolarHBondContact O-N 2.94Å; H40-D44 PolarHBondContact N-OD2 3.46Å; H40-D44 IonicContact ND1-OD2 2.86Å; H40-D44 WeakPolarHBondContact O-CA 3.43Å; H40-D44 WeakPolarHBondContact O-CB 3.16Å; H40-D44 PolarHBondContact O-N 3.03Å; H40-D259 WeakPolarHBondContact CA-OD1 3.46Å | ||
| 41 | I | 85.5 | Confident | 92.7 | Very high | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -27.5 | -171.9 | -177.7 | 176.7 | 0 | 0 | 0 | 113.7 | T46 K83 D259 S260 H269 F271 | I41-T46 HydrophobicContact CB-CG2 4.37Å; I41-K83 VanDerWaalsContact O-CE 3.26Å; I41-K83 WeakPolarHBondContact O-CE 3.43Å; I41-D259 HydrophobicContact CB-CB 4.46Å; I41-D259 PolarHBondContact N-OD1 3.46Å; I41-S260 WeakPolarHBondContact CD1-O 3.34Å; I41-H269 HydrophobicContact CD1-CB 3.95Å; I41-H269 WeakPolarHBondContact CD1-O 3.13Å; I41-F271 HydrophobicContact CG2-CB 3.97Å; I41-F271 HydrophobicContact CG2-CD2 3.79Å; I41-F271 HydrophobicContact CG2-CG 4.34Å |
| 42 | D | 82.6 | Confident | 92.7 | Very high | 60 Ų | 60 | 38.2 Ų | 38.2 | 32% | 0.321 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -34.3 | 177.7 | 60.9 | -34.4 | 0 | 0 | 0 | 113.9 | H40 K83 F271 | H40-D42 WeakPolarHBondContact CB-OD1 3.42Å; H40-D42 PolarHBondContact O-N 3.3Å; H40-D42 VanDerWaalsContact O-N 3.17Å; D42-K83 WeakPolarHBondContact O-CE 3.43Å; D42-K83 PolarHBondContact O-NZ 3.2Å; D42-F271 HydrophobicContact CB-CB 3.81Å; D42-F271 HydrophobicContact CB-CD1 3.48Å; D42-F271 VanDerWaalsContact CB-CD1 3.48Å; D42-F271 HydrophobicContact CB-CD2 3.9Å; D42-F271 HydrophobicContact CB-CE1 3.94Å; D42-F271 HydrophobicContact CB-CE2 4.31Å; D42-F271 HydrophobicContact CB-CG 3.45Å; D42-F271 VanDerWaalsContact CB-CG 3.45Å; D42-F271 HydrophobicContact CB-CZ 4.32Å; D42-F271 VanDerWaalsContact CG-CZ 3.41Å; D42-F271 WeakPolarHBondContact OD1-CE2 3.34Å; D42-F271 WeakPolarHBondContact OD2-CD1 3.26Å; D42-F271 WeakPolarHBondContact OD2-CE1 3.49Å; D42-F271 WeakPolarHBondContact OD2-CZ 3.2Å |
| 43 | E | 86.6 | Confident | 92.7 | Very high | 138 Ų | 138 | 38.2 Ų | 38.2 | 65% | 0.645 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -50 | -177.3 | -60.4 | -172.4 | 166 | 0 | 0 | 111.3 | H40 K83 | H40-E43 HydrophobicContact CB-CB 4.36Å; H40-E43 PolarHBondContact O-N 2.94Å; E43-K83 VanDerWaalsContact C-NZ 3.35Å; E43-K83 PolarHBondContact O-NZ 3.41Å |
| 44 | D | 92.3 | Very high | 92.7 | Very high | 60 Ų | 60 | 39.6 Ų | 39.6 | 32% | 0.321 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -92.9 | 160.4 | -169 | -61.7 | -51.3 | 0 | 0 | 0 | 113.9 | T39 H40 K83 | T39-D44 WeakPolarHBondContact CA-OD2 3.17Å; T39-D44 HydrophobicContact CG2-CB 4.34Å; H40-D44 PolarHBondContact N-OD2 3.46Å; H40-D44 IonicContact ND1-OD2 2.86Å; H40-D44 WeakPolarHBondContact O-CA 3.43Å; H40-D44 WeakPolarHBondContact O-CB 3.16Å; H40-D44 PolarHBondContact O-N 3.03Å; D44-K83 VanDerWaalsContact C-NZ 3.32Å; D44-K83 PolarHBondContact O-NZ 3.38Å |
| 45 | N | 95.1 | Very high | 92.7 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 12% | 0.118 | 20% | 0.198 | C | C | . | . | trans | -72.9 | 128.8 | 165.4 | -64.4 | -63.2 | 0 | 0 | 0 | 108.8 | S58 L59 D60 T63 F117 | N45-S58 WeakPolarHBondContact CA-O 3.33Å; N45-L59 HydrophobicContact CB-CD2 4.09Å; N45-L59 WeakPolarHBondContact OD1-CA 3.27Å; N45-D60 PolarHBondContact ND2-OD2 2.93Å; N45-D60 PolarHBondContact OD1-N 3.24Å; N45-D60 PolarHBondContact OD1-OD2 2.83Å; N45-T63 PolarHBondContact ND2-OG1 3.29Å; N45-F117 HydrophobicContact CB-CE1 3.89Å; N45-F117 HydrophobicContact CB-CZ 3.98Å; N45-F117 WeakPolarHBondContact O-CE1 3.35Å | ||
| 46 | T | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 151.4 | -179 | 60.7 | 0 | 0 | 0 | 0 | 111.4 | T36 T39 I41 L57 S58 P261 | T36-T46 WeakPolarHBondContact OG1-CA 3.16Å; T36-T46 WeakPolarHBondContact OG1-CB 3.44Å; T39-T46 WeakPolarHBondContact OG1-CG2 3.36Å; I41-T46 HydrophobicContact CB-CG2 4.37Å; T46-L57 CarbonylContact O-C 3.45Å; T46-L57 WeakPolarHBondContact O-CA 3.48Å; T46-S58 PolarHBondContact N-O 3.5Å; T46-S58 PolarHBondContact O-N 3.31Å; T46-S58 WeakPolarHBondContact OG1-CB 3.19Å; T46-P261 WeakPolarHBondContact OG1-CB 2.97Å |
| 47 | V | 96.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 135.1 | -176.7 | -173.1 | 0 | 0 | 0 | 0 | 110.1 | L14 T36 L55 I56 L57 F117 F119 | L14-V47 HydrophobicContact CD1-CG1 3.9Å; L14-V47 HydrophobicContact CD1-CG2 4.37Å; L14-V47 HydrophobicContact CD2-CG2 4.41Å; T36-V47 HydrophobicContact CG2-CB 3.71Å; T36-V47 HydrophobicContact CG2-CG2 4.11Å; T36-V47 VanDerWaalsContact CG2-N 3.29Å; T36-V47 PolarHBondContact N-O 3.08Å; T36-V47 PolarHBondContact OG1-N 2.96Å; T36-V47 VanDerWaalsContact OG1-N 3.12Å; T36-V47 PolarHBondContact OG1-O 3.05Å; V47-L55 HydrophobicContact CG1-CD1 3.56Å; V47-L55 HydrophobicContact CG1-CG 4.17Å; V47-I56 CarbonylContact C-O 3.5Å; V47-I56 VanDerWaalsContact CA-O 3.3Å; V47-I56 WeakPolarHBondContact CA-O 3.42Å; V47-I56 WeakPolarHBondContact CG1-O 3.38Å; V47-L57 HydrophobicContact CG1-CG 4.27Å; V47-L57 HydrophobicContact CG2-CB 4.49Å; V47-L57 HydrophobicContact CG2-CG 4.05Å; V47-F117 HydrophobicContact CG2-CD2 4.17Å; V47-F117 HydrophobicContact CG2-CE2 3.74Å; V47-F117 HydrophobicContact CG2-CZ 4.05Å; V47-F119 HydrophobicContact CB-CE1 4Å; V47-F119 HydrophobicContact CB-CZ 4.09Å; V47-F119 HydrophobicContact CG1-CE1 4.24Å; V47-F119 HydrophobicContact CG1-CZ 4.33Å |
| 48 | A | 96.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.033 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 139.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A34 L35 I56 P261 V262 | A34-A48 CarbonylContact O-C 3.56Å; A34-A48 VanDerWaalsContact O-CA 3.24Å; A34-A48 WeakPolarHBondContact O-CA 3.46Å; L35-A48 HydrophobicContact CD1-CB 4.3Å; A48-I56 PolarHBondContact N-O 2.82Å; A48-I56 PolarHBondContact O-N 2.93Å; A48-P261 HydrophobicContact CB-CG 3.63Å; A48-V262 HydrophobicContact CB-CG2 4.14Å |
| 49 | L | 96.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 121.2 | 166.9 | 175.9 | 63.2 | 0 | 0 | 0 | 108.4 | F22 I27 C32 Y33 A34 L55 L90 | F22-L49 HydrophobicContact CE1-CD2 3.82Å; F22-L49 HydrophobicContact CZ-CD2 3.72Å; I27-L49 HydrophobicContact CD1-CD1 4.11Å; I27-L49 HydrophobicContact CD1-CD2 3.87Å; I27-L49 HydrophobicContact CD1-CG 4.39Å; C32-L49 HydrophobicContact CB-CD2 4.08Å; Y33-L49 WeakPolarHBondContact CA-O 3Å; A34-L49 HydrophobicContact CB-CB 3.5Å; A34-L49 HydrophobicContact CB-CD2 4.28Å; A34-L49 PolarHBondContact N-O 2.83Å; A34-L49 VanDerWaalsContact N-O 3.15Å; A34-L49 PolarHBondContact O-N 3.42Å; L49-L55 HydrophobicContact CB-CD1 4.12Å; L49-L55 HydrophobicContact CD1-CB 4.37Å; L49-L55 HydrophobicContact CD1-CD1 4.41Å; L49-L90 HydrophobicContact CD1-CD1 3.58Å |
| 50 | L | 94.6 | Very high | 93.2 | Very high | 23 Ų | 23 | 30.3 Ų | 30.3 | 12% | 0.12 | 16% | 0.155 | C | C | . | . | trans | -91.3 | 154.5 | -179.5 | -58.1 | -176 | 0 | 0 | 0 | 111 | C32 N52 G53 K54 I56 V262 K266 | C32-L50 CarbonylContact O-C 3.58Å; L50-N52 WeakPolarHBondContact CB-OD1 3.26Å; L50-N52 PolarHBondContact O-N 2.75Å; L50-G53 PolarHBondContact O-N 3.17Å; L50-K54 HydrophobicContact CD1-CB 4.48Å; L50-K54 PolarHBondContact N-O 3.2Å; L50-I56 HydrophobicContact CD1-CG1 4.04Å; L50-I56 HydrophobicContact CG-CG1 4.34Å; L50-V262 HydrophobicContact CD1-CG1 4.14Å; L50-V262 HydrophobicContact CD1-CG2 4.49Å; L50-V262 HydrophobicContact CD2-CB 4.25Å; L50-V262 HydrophobicContact CD2-CG1 4Å; L50-V262 HydrophobicContact CD2-CG2 4.27Å; L50-K266 HydrophobicContact CD1-CG 4.17Å | ||
| 51 | P | 91.8 | Very high | 93.4 | Very high | 49 Ų | 49 | 29.4 Ų | 29.4 | 32% | 0.318 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -17.5 | -177.5 | 24 | -35.3 | 0 | 0 | 0 | 114.5 | Y33 G53 | Y33-P51 HydrophobicContact CD1-CG 4.44Å; Y33-P51 HydrophobicContact CE1-CB 3.85Å; Y33-P51 VanDerWaalsContact CE1-CD 3.47Å; Y33-P51 HydrophobicContact CE1-CG 3.58Å; Y33-P51 HydrophobicContact CE2-CB 3.89Å; Y33-P51 VanDerWaalsContact CZ-CB 3.44Å; Y33-P51 WeakPolarHBondContact OH-CB 3.28Å; Y33-P51 WeakPolarHBondContact OH-CG 3.1Å; P51-G53 PolarHBondContact O-N 2.77Å |
| 52 | N | 90.8 | Very high | 93.9 | Very high | 64 Ų | 64 | 34.1 Ų | 34.1 | 34% | 0.342 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 6.9 | 174.8 | 61.6 | 21.6 | 0 | 0 | 0 | 113.4 | L50 K54 K266 | L50-N52 WeakPolarHBondContact CB-OD1 3.26Å; L50-N52 PolarHBondContact O-N 2.75Å; N52-K54 VanDerWaalsContact OD1-CB 3.28Å; N52-K54 WeakPolarHBondContact OD1-CB 3.46Å; N52-K54 WeakPolarHBondContact OD1-CG 3.28Å; N52-K54 PolarHBondContact OD1-N 2.98Å; N52-K266 WeakPolarHBondContact ND2-CE 3.39Å; N52-K266 PolarHBondContact ND2-NZ 2.67Å |
| 53 | G | 94.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 79.5 | 14.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L50 P51 L90 | L50-G53 PolarHBondContact O-N 3.17Å; P51-G53 PolarHBondContact O-N 2.77Å; G53-L90 WeakPolarHBondContact O-CB 3.42Å; G53-L90 VanDerWaalsContact O-CG 3.25Å; G53-L90 WeakPolarHBondContact O-CG 3.26Å; G53-L90 PolarHBondContact O-N 3.18Å |
| 54 | K | 95.5 | Very high | 94.9 | Very high | 55 Ų | 55 | 27 Ų | 27 | 24% | 0.239 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 123.6 | 172.3 | -66.7 | -170.3 | 174.6 | -158.2 | 0 | 111.2 | L50 N52 I56 I88 K266 | L50-K54 HydrophobicContact CD1-CB 4.48Å; L50-K54 PolarHBondContact N-O 3.2Å; N52-K54 VanDerWaalsContact OD1-CB 3.28Å; N52-K54 WeakPolarHBondContact OD1-CB 3.46Å; N52-K54 WeakPolarHBondContact OD1-CG 3.28Å; N52-K54 PolarHBondContact OD1-N 2.98Å; K54-I56 HydrophobicContact CB-CD1 4.14Å; K54-I88 WeakPolarHBondContact CA-O 3.34Å; K54-K266 HydrophobicContact CD-CD 4.08Å |
| 55 | L | 97 | Very high | 95 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 115.7 | 170.7 | -175 | 71.4 | 0 | 0 | 0 | 108.5 | L14 L17 I18 V47 L49 L57 I88 L90 | L14-L55 HydrophobicContact CD1-CD1 4.44Å; L14-L55 HydrophobicContact CD1-CD2 4.11Å; L17-L55 HydrophobicContact CD1-CD1 4.21Å; I18-L55 HydrophobicContact CG2-CD2 3.89Å; V47-L55 HydrophobicContact CG1-CD1 3.56Å; V47-L55 HydrophobicContact CG1-CG 4.17Å; L49-L55 HydrophobicContact CB-CD1 4.12Å; L49-L55 HydrophobicContact CD1-CB 4.37Å; L49-L55 HydrophobicContact CD1-CD1 4.41Å; L55-L57 HydrophobicContact CD2-CD1 4.25Å; L55-L57 HydrophobicContact CG-CD1 3.98Å; L55-I88 HydrophobicContact CB-CB 4.28Å; L55-I88 PolarHBondContact N-O 3.12Å; L55-I88 PolarHBondContact O-N 2.84Å; L55-L90 HydrophobicContact CB-CD1 4.48Å; L55-L90 HydrophobicContact CB-CD2 4.2Å; L55-L90 HydrophobicContact CB-CG 4.3Å; L55-L90 HydrophobicContact CD2-CD2 4.46Å |
| 56 | I | 96.3 | Very high | 95 | Very high | 10 Ų | 10 | 32.7 Ų | 32.7 | 5% | 0.051 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 127.1 | -178.1 | -50.5 | -57 | 0 | 0 | 0 | 108.7 | V47 A48 L50 K54 I85 V86 S87 V262 | V47-I56 CarbonylContact C-O 3.5Å; V47-I56 VanDerWaalsContact CA-O 3.3Å; V47-I56 WeakPolarHBondContact CA-O 3.42Å; V47-I56 WeakPolarHBondContact CG1-O 3.38Å; A48-I56 PolarHBondContact N-O 2.82Å; A48-I56 PolarHBondContact O-N 2.93Å; L50-I56 HydrophobicContact CD1-CG1 4.04Å; L50-I56 HydrophobicContact CG-CG1 4.34Å; K54-I56 HydrophobicContact CB-CD1 4.14Å; I56-I85 HydrophobicContact CG2-CG2 3.99Å; I56-V86 WeakPolarHBondContact CA-O 3.25Å; I56-S87 WeakPolarHBondContact CD1-OG 3.38Å; I56-V262 HydrophobicContact CB-CG2 3.72Å; I56-V262 HydrophobicContact CG1-CG2 3.72Å; I56-V262 HydrophobicContact CG2-CG2 3.76Å |
| 57 | L | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 131.8 | 175.3 | -59.9 | 69.2 | 0 | 0 | 0 | 108.7 | L14 T46 V47 L55 L59 I85 V86 I88 F109 | L14-L57 HydrophobicContact CD2-CD2 3.63Å; L14-L57 HydrophobicContact CD2-CG 4.22Å; T46-L57 CarbonylContact O-C 3.45Å; T46-L57 WeakPolarHBondContact O-CA 3.48Å; V47-L57 HydrophobicContact CG1-CG 4.27Å; V47-L57 HydrophobicContact CG2-CB 4.49Å; V47-L57 HydrophobicContact CG2-CG 4.05Å; L55-L57 HydrophobicContact CD2-CD1 4.25Å; L55-L57 HydrophobicContact CG-CD1 3.98Å; L57-L59 HydrophobicContact CB-CD1 4.49Å; L57-L59 HydrophobicContact CB-CD2 4.07Å; L57-L59 HydrophobicContact CB-CG 4Å; L57-L59 HydrophobicContact CD2-CD1 4.17Å; L57-L59 HydrophobicContact CD2-CD2 4.12Å; L57-L59 HydrophobicContact CD2-CG 4.37Å; L57-I85 WeakPolarHBondContact O-CA 2.84Å; L57-V86 HydrophobicContact CB-CB 4.26Å; L57-V86 PolarHBondContact N-O 2.77Å; L57-V86 PolarHBondContact O-N 2.95Å; L57-I88 HydrophobicContact CD1-CD1 4.09Å; L57-F109 HydrophobicContact CD1-CZ 4.49Å; L57-F109 HydrophobicContact CD2-CE1 3.9Å; L57-F109 HydrophobicContact CD2-CZ 3.76Å |
| 58 | S | 95.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 4% | 0.035 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 109.9 | 163.1 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | N45 T46 | N45-S58 WeakPolarHBondContact CA-O 3.33Å; T46-S58 PolarHBondContact N-O 3.5Å; T46-S58 PolarHBondContact O-N 3.31Å; T46-S58 WeakPolarHBondContact OG1-CB 3.19Å |
| 59 | L | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 140 | -173.9 | -60.2 | -178.6 | 0 | 0 | 0 | 111.3 | N45 L57 T63 T67 K83 F84 V86 L115 | N45-L59 HydrophobicContact CB-CD2 4.09Å; N45-L59 WeakPolarHBondContact OD1-CA 3.27Å; L57-L59 HydrophobicContact CB-CD1 4.49Å; L57-L59 HydrophobicContact CB-CD2 4.07Å; L57-L59 HydrophobicContact CB-CG 4Å; L57-L59 HydrophobicContact CD2-CD1 4.17Å; L57-L59 HydrophobicContact CD2-CD2 4.12Å; L57-L59 HydrophobicContact CD2-CG 4.37Å; L59-T63 HydrophobicContact CD1-CG2 4.45Å; L59-T63 HydrophobicContact CD2-CG2 4.01Å; L59-T67 HydrophobicContact CD1-CG2 4.36Å; L59-K83 CarbonylContact O-C 3.48Å; L59-K83 VanDerWaalsContact O-CA 3.25Å; L59-K83 WeakPolarHBondContact O-CA 3.36Å; L59-F84 PolarHBondContact N-O 3.46Å; L59-F84 PolarHBondContact O-N 3.06Å; L59-V86 HydrophobicContact CD1-CG2 4.1Å; L59-L115 HydrophobicContact CD2-CD1 4.18Å |
| 60 | D | 94.9 | Very high | 94.5 | Very high | 39 Ų | 39 | 41.9 Ų | 41.9 | 21% | 0.209 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 161 | 163.2 | 71.6 | 57.9 | 0 | 0 | 0 | 110.8 | N45 D62 T63 Y64 M82 | N45-D60 PolarHBondContact ND2-OD2 2.93Å; N45-D60 PolarHBondContact OD1-N 3.24Å; N45-D60 PolarHBondContact OD1-OD2 2.83Å; D60-D62 VanDerWaalsContact C-N 3.33Å; D60-D62 PolarHBondContact O-N 2.79Å; D60-D62 PolarHBondContact OD1-N 3.22Å; D60-T63 VanDerWaalsContact CG-OG1 3.3Å; D60-T63 PolarHBondContact O-N 3.06Å; D60-T63 VanDerWaalsContact OD1-CB 3.26Å; D60-T63 WeakPolarHBondContact OD1-CB 3.14Å; D60-T63 PolarHBondContact OD1-N 2.87Å; D60-T63 PolarHBondContact OD1-OG1 3.02Å; D60-T63 PolarHBondContact OD2-OG1 3.44Å; D60-Y64 VanDerWaalsContact O-CB 3.28Å; D60-Y64 WeakPolarHBondContact O-CB 3.32Å; D60-Y64 PolarHBondContact O-N 3.46Å; D60-M82 WeakPolarHBondContact CA-O 3.35Å |
| 61 | K | 93.6 | Very high | 94.5 | Very high | 78 Ų | 78 | 42 Ų | 42 | 34% | 0.339 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56 | -46.2 | -176.6 | -179.4 | -179.4 | 175.2 | -164.6 | 0 | 112.8 | Y64 E65 M82 F84 | K61-Y64 PolarHBondContact O-N 3.14Å; K61-E65 WeakPolarHBondContact CE-OE1 3.29Å; K61-E65 IonicContact NZ-OE1 2.82Å; K61-E65 WeakPolarHBondContact O-CG 3.36Å; K61-E65 PolarHBondContact O-N 3.21Å; K61-M82 PolarHBondContact N-O 2.84Å; K61-F84 HydrophobicContact CB-CD2 4.49Å; K61-F84 HydrophobicContact CB-CE2 3.97Å; K61-F84 HydrophobicContact CG-CE2 3.91Å |
| 62 | D | 94.3 | Very high | 94.5 | Very high | 106 Ų | 106 | 44 Ų | 44 | 57% | 0.567 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -69.8 | -45 | -172.5 | -62.4 | -15.5 | 0 | 0 | 0 | 109.7 | D60 Y64 E65 E66 | D60-D62 VanDerWaalsContact C-N 3.33Å; D60-D62 PolarHBondContact O-N 2.79Å; D60-D62 PolarHBondContact OD1-N 3.22Å; D62-Y64 PolarHBondContact O-N 2.97Å; D62-E65 PolarHBondContact O-N 3.38Å; D62-E66 VanDerWaalsContact O-CB 3.25Å; D62-E66 WeakPolarHBondContact O-CB 3.38Å; D62-E66 VanDerWaalsContact O-CG 3.25Å; D62-E66 WeakPolarHBondContact O-CG 3.31Å; D62-E66 PolarHBondContact O-N 3.34Å |
| 63 | T | 96 | Very high | 94.6 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 5% | 0.049 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.3 | -38.9 | 174.7 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | N45 L59 D60 T67 K113 L115 | N45-T63 PolarHBondContact ND2-OG1 3.29Å; L59-T63 HydrophobicContact CD1-CG2 4.45Å; L59-T63 HydrophobicContact CD2-CG2 4.01Å; D60-T63 VanDerWaalsContact CG-OG1 3.3Å; D60-T63 PolarHBondContact O-N 3.06Å; D60-T63 VanDerWaalsContact OD1-CB 3.26Å; D60-T63 WeakPolarHBondContact OD1-CB 3.14Å; D60-T63 PolarHBondContact OD1-N 2.87Å; D60-T63 PolarHBondContact OD1-OG1 3.02Å; D60-T63 PolarHBondContact OD2-OG1 3.44Å; T63-T67 HydrophobicContact CG2-CG2 4.15Å; T63-T67 WeakPolarHBondContact O-CB 3.41Å; T63-T67 WeakPolarHBondContact O-CG2 3.26Å; T63-T67 PolarHBondContact O-N 3.34Å; T63-T67 PolarHBondContact O-OG1 3.01Å; T63-K113 HydrophobicContact CG2-CG 4.41Å; T63-L115 HydrophobicContact CG2-CD1 4.01Å; T63-L115 HydrophobicContact CG2-CD2 3.95Å |
| 64 | Y | 96.1 | Very high | 94.4 | Very high | 42 Ų | 42 | 44.5 Ų | 44.5 | 17% | 0.165 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.3 | -48.9 | 174.7 | 173.4 | -105.4 | 0 | 0 | 0 | 112.1 | D60 K61 D62 E66 T67 G68 L69 G71 F84 V86 | D60-Y64 VanDerWaalsContact O-CB 3.28Å; D60-Y64 WeakPolarHBondContact O-CB 3.32Å; D60-Y64 PolarHBondContact O-N 3.46Å; K61-Y64 PolarHBondContact O-N 3.14Å; D62-Y64 PolarHBondContact O-N 2.97Å; Y64-E66 PolarHBondContact O-N 3.23Å; Y64-T67 PolarHBondContact O-N 3.38Å; Y64-T67 PolarHBondContact O-OG1 2.79Å; Y64-G68 PolarHBondContact O-N 2.84Å; Y64-L69 WeakPolarHBondContact CE2-O 3.47Å; Y64-G71 PolarHBondContact OH-N 2.97Å; Y64-G71 PolarHBondContact OH-O 3.14Å; Y64-F84 HydrophobicContact CD1-CB 3.94Å; Y64-F84 AromaticContact CD1-CD1 3.55Å; Y64-F84 HydrophobicContact CD1-CD1 3.55Å; Y64-F84 AromaticContact CD1-CD2 3.75Å; Y64-F84 HydrophobicContact CD1-CD2 3.75Å; Y64-F84 AromaticContact CD1-CE1 3.91Å; Y64-F84 HydrophobicContact CD1-CE1 3.91Å; Y64-F84 HydrophobicContact CD1-CE2 4.11Å; Y64-F84 AromaticContact CD1-CG 3.46Å; Y64-F84 HydrophobicContact CD1-CG 3.46Å; Y64-F84 VanDerWaalsContact CD1-CG 3.46Å; Y64-F84 HydrophobicContact CD1-CZ 4.18Å; Y64-F84 HydrophobicContact CD2-CB 3.55Å; Y64-F84 HydrophobicContact CD2-CD1 4.41Å; Y64-F84 HydrophobicContact CD2-CG 4.04Å; Y64-F84 HydrophobicContact CE1-CB 4.39Å; Y64-F84 AromaticContact CE1-CD1 3.46Å; Y64-F84 HydrophobicContact CE1-CD1 3.46Å; Y64-F84 VanDerWaalsContact CE1-CD1 3.46Å; Y64-F84 AromaticContact CE1-CE1 3.75Å; Y64-F84 HydrophobicContact CE1-CE1 3.75Å; Y64-F84 AromaticContact CE1-CG 3.88Å; Y64-F84 HydrophobicContact CE1-CG 3.88Å; Y64-F84 HydrophobicContact CE1-CZ 4.39Å; Y64-F84 HydrophobicContact CE2-CB 4.05Å; Y64-F84 HydrophobicContact CE2-CD1 4.35Å; Y64-F84 HydrophobicContact CE2-CG 4.41Å; Y64-F84 HydrophobicContact CG-CB 3.49Å; Y64-F84 VanDerWaalsContact CG-CB 3.49Å; Y64-F84 HydrophobicContact CG-CD1 4.03Å; Y64-F84 AromaticContact CG-CD2 3.91Å; Y64-F84 HydrophobicContact CG-CD2 3.91Å; Y64-F84 AromaticContact CG-CG 3.54Å; Y64-F84 HydrophobicContact CG-CG 3.54Å; Y64-F84 AromaticContact CZ-CD1 3.89Å; Y64-V86 HydrophobicContact CD2-CG2 3.89Å; Y64-V86 HydrophobicContact CE2-CG2 3.92Å |
| 65 | E | 94.4 | Very high | 93.9 | Very high | 111 Ų | 111 | 47.2 Ų | 47.2 | 52% | 0.519 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.1 | -41.7 | 178.1 | -71.5 | 179.4 | 177.8 | 0 | 0 | 111.4 | K61 D62 G68 | K61-E65 WeakPolarHBondContact CE-OE1 3.29Å; K61-E65 IonicContact NZ-OE1 2.82Å; K61-E65 WeakPolarHBondContact O-CG 3.36Å; K61-E65 PolarHBondContact O-N 3.21Å; D62-E65 PolarHBondContact O-N 3.38Å; E65-G68 PolarHBondContact O-N 2.76Å |
| 66 | E | 94.6 | Very high | 93.1 | Very high | 89 Ų | 89 | 48.9 Ų | 48.9 | 42% | 0.416 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.2 | -49.1 | 176 | -78.5 | -179.5 | -167.9 | 0 | 0 | 111.7 | D62 Y64 G68 K112 K113 | D62-E66 VanDerWaalsContact O-CB 3.25Å; D62-E66 WeakPolarHBondContact O-CB 3.38Å; D62-E66 VanDerWaalsContact O-CG 3.25Å; D62-E66 WeakPolarHBondContact O-CG 3.31Å; D62-E66 PolarHBondContact O-N 3.34Å; Y64-E66 PolarHBondContact O-N 3.23Å; E66-G68 PolarHBondContact O-N 3.38Å; E66-K112 WeakPolarHBondContact O-CD 3.38Å; E66-K112 WeakPolarHBondContact O-CE 3.15Å; E66-K112 PolarHBondContact O-NZ 2.75Å; E66-K113 VanDerWaalsContact OE2-CD 3.27Å; E66-K113 WeakPolarHBondContact OE2-CD 3.41Å; E66-K113 VanDerWaalsContact OE2-CE 3.25Å; E66-K113 WeakPolarHBondContact OE2-CE 3.06Å; E66-K113 IonicContact OE2-NZ 2.69Å; E66-K113 PolarHBondContact OE2-NZ 3.49Å |
| 67 | T | 94.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.1 | -30.1 | 178.7 | 56.3 | 0 | 0 | 0 | 0 | 111.5 | L59 T63 Y64 L69 S108 K113 L115 | L59-T67 HydrophobicContact CD1-CG2 4.36Å; T63-T67 HydrophobicContact CG2-CG2 4.15Å; T63-T67 WeakPolarHBondContact O-CB 3.41Å; T63-T67 WeakPolarHBondContact O-CG2 3.26Å; T63-T67 PolarHBondContact O-N 3.34Å; T63-T67 PolarHBondContact O-OG1 3.01Å; Y64-T67 PolarHBondContact O-N 3.38Å; Y64-T67 PolarHBondContact O-OG1 2.79Å; T67-L69 PolarHBondContact O-N 3.42Å; T67-S108 WeakPolarHBondContact CA-OG 3.25Å; T67-S108 WeakPolarHBondContact CB-OG 3.5Å; T67-S108 PolarHBondContact O-OG 3.26Å; T67-K113 HydrophobicContact CG2-CB 3.97Å; T67-K113 HydrophobicContact CG2-CG 4.2Å; T67-L115 HydrophobicContact CG2-CD1 4.43Å |
| 68 | G | 92.3 | Very high | 91.1 | Very high | 19 Ų | 19 | 51.4 Ų | 51.4 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 33.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y64 E65 E66 R104 | Y64-G68 PolarHBondContact O-N 2.84Å; E65-G68 PolarHBondContact O-N 2.76Å; E66-G68 PolarHBondContact O-N 3.38Å; G68-R104 PolarHBondContact O-NE 3.35Å; G68-R104 PolarHBondContact O-NH2 3.01Å |
| 69 | L | 93.9 | Very high | 90.2 | Very high | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | trans | -85.6 | 159.7 | 175.3 | -66 | 175.1 | 0 | 0 | 0 | 110.4 | Y64 T67 V86 I105 F109 | Y64-L69 WeakPolarHBondContact CE2-O 3.47Å; T67-L69 PolarHBondContact O-N 3.42Å; L69-V86 HydrophobicContact CB-CG1 4Å; L69-V86 HydrophobicContact CB-CG2 4.19Å; L69-V86 HydrophobicContact CD1-CG1 4.17Å; L69-I105 HydrophobicContact CD2-CB 4.45Å; L69-I105 HydrophobicContact CD2-CG1 3.82Å; L69-F109 HydrophobicContact CD1-CD1 4.43Å; L69-F109 HydrophobicContact CD1-CE1 3.47Å; L69-F109 VanDerWaalsContact CD1-CE1 3.47Å; L69-F109 HydrophobicContact CD1-CZ 3.78Å | ||
| 70 | Q | 93 | Very high | 89.4 | Confident | 171 Ų | 171 | 70.9 Ų | 70.9 | 80% | 0.799 | 35% | 0.351 | S | S | * | . | trans | -84 | 120.1 | 174.4 | -174.5 | 177.5 | -6.8 | 0 | 0 | 109 | ||||
| 71 | G | 93.9 | Very high | 88.8 | Confident | 25 Ų | 25 | 72.6 Ų | 72.6 | 26% | 0.258 | 36% | 0.359 | S | S | . | . | trans | -146.4 | -167.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y64 I85 | Y64-G71 PolarHBondContact OH-N 2.97Å; Y64-G71 PolarHBondContact OH-O 3.14Å; G71-I85 CarbonylContact C-O 3.54Å; G71-I85 WeakPolarHBondContact CA-O 3.38Å | ||
| 72 | H | 93.8 | Very high | 88.4 | Confident | 92 Ų | 92 | 73.4 Ų | 73.4 | 43% | 0.426 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 156 | 173.3 | 58.2 | 87.1 | 0 | 0 | 0 | 110.7 | F84 I85 E268 | H72-F84 CarbonylContact O-C 3.56Å; H72-F84 VanDerWaalsContact O-CA 3.26Å; H72-F84 WeakPolarHBondContact O-CA 3.33Å; H72-I85 PolarHBondContact N-O 3.49Å; H72-I85 PolarHBondContact O-N 3.27Å; H72-E268 IonicContact CE1-OE1 3.52Å; H72-E268 PolarHBondContact CE1-OE1 2.71Å; H72-E268 IonicContact ND1-OE1 3.51Å |
| 73 | P | 92.3 | Very high | 88.3 | Confident | 62 Ų | 62 | 69.3 Ų | 69.3 | 40% | 0.403 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 141.4 | 168.4 | -25.9 | 36 | 0 | 0 | 0 | 111.3 | I81 F84 | P73-I81 HydrophobicContact CB-CD1 3.94Å; P73-I81 HydrophobicContact CB-CG1 4.27Å; P73-I81 HydrophobicContact CB-CG2 3.78Å; P73-I81 HydrophobicContact CG-CD1 3.95Å; P73-I81 HydrophobicContact CG-CG2 4.38Å; P73-F84 HydrophobicContact CB-CE1 4.44Å; P73-F84 HydrophobicContact CG-CD1 4.31Å; P73-F84 HydrophobicContact CG-CE1 3.95Å |
| 74 | S | 89.6 | Confident | 88.2 | Confident | 13 Ų | 13 | 70 Ų | 70 | 9% | 0.091 | 35% | 0.345 | C | S | . | . | trans | -66.6 | 137.7 | 173 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | F76 S77 K83 E268 | S74-F76 PolarHBondContact O-N 2.79Å; S74-F76 PolarHBondContact OG-N 3.13Å; S74-S77 VanDerWaalsContact O-CB 3.23Å; S74-S77 WeakPolarHBondContact O-CB 3.3Å; S74-S77 PolarHBondContact O-N 3.03Å; S74-S77 VanDerWaalsContact O-N 3.1Å; S74-S77 PolarHBondContact O-OG 3.42Å; S74-K83 WeakPolarHBondContact CB-O 3.06Å; S74-K83 PolarHBondContact N-O 2.94Å; S74-E268 WeakPolarHBondContact CA-OE2 3.37Å; S74-E268 WeakPolarHBondContact CB-OE2 3.44Å; S74-E268 PolarHBondContact OG-OE2 3.05Å | ||
| 75 | Q | 85.1 | Confident | 88.1 | Confident | 112 Ų | 112 | 68.6 Ų | 68.6 | 52% | 0.523 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -21.5 | 176.7 | 69.9 | -177.9 | 3.6 | 0 | 0 | 113.6 | S77 E268 | Q75-S77 VanDerWaalsContact C-N 3.3Å; Q75-E268 HydrophobicContact CG-CB 4.24Å; Q75-E268 PolarHBondContact N-OE1 3.07Å; Q75-E268 PolarHBondContact N-OE2 3.15Å |
| 76 | F | 80.3 | Confident | 88.2 | Confident | 34 Ų | 34 | 63.4 Ų | 63.4 | 15% | 0.149 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 3 | 178.3 | -58 | -72.6 | 0 | 0 | 0 | 113.3 | S74 G78 E268 G270 N298 D299 | S74-F76 PolarHBondContact O-N 2.79Å; S74-F76 PolarHBondContact OG-N 3.13Å; F76-G78 PolarHBondContact O-N 3.3Å; F76-E268 HydrophobicContact CD2-CB 4Å; F76-E268 HydrophobicContact CE2-CB 3.53Å; F76-E268 WeakPolarHBondContact CE2-O 3.46Å; F76-G270 VanDerWaalsContact CD2-CA 3.49Å; F76-N298 HydrophobicContact CD1-CB 4.38Å; F76-N298 HydrophobicContact CE1-CB 3.85Å; F76-D299 VanDerWaalsContact CZ-OD1 3.24Å; F76-D299 WeakPolarHBondContact CZ-OD1 3.5Å |
| 77 | S | 77.4 | Confident | 88.2 | Confident | 31 Ų | 31 | 62.1 Ų | 62.1 | 22% | 0.217 | 32% | 0.317 | C | S | . | . | trans | -63.7 | 130.6 | 170.6 | -70.6 | 0 | 0 | 0 | 0 | 110.4 | S74 Q75 | S74-S77 VanDerWaalsContact O-CB 3.23Å; S74-S77 WeakPolarHBondContact O-CB 3.3Å; S74-S77 PolarHBondContact O-N 3.03Å; S74-S77 VanDerWaalsContact O-N 3.1Å; S74-S77 PolarHBondContact O-OG 3.42Å; Q75-S77 VanDerWaalsContact C-N 3.3Å | ||
| 78 | G | 73.9 | Confident | 88.3 | Confident | 33 Ų | 33 | 62.3 Ų | 62.3 | 34% | 0.34 | 32% | 0.317 | S | S | . | . | trans | -73.9 | -151.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F76 K80 | F76-G78 PolarHBondContact O-N 3.3Å; G78-K80 PolarHBondContact O-N 3.06Å | ||
| 79 | R | 74.5 | Confident | 88.4 | Confident | 269 Ų | 269 | 63.5 Ų | 63.5 | 100% | 1.015 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -54.1 | -27.3 | 177.5 | -67.6 | -176.9 | -178.9 | 176 | 0.5 | 114.1 | ||
| 80 | K | 80.2 | Confident | 88.5 | Confident | 145 Ų | 145 | 63.1 Ų | 63.1 | 63% | 0.63 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -113.2 | 124.8 | 175 | -170.3 | -179.6 | 177 | -167.9 | 0 | 108.4 | G78 M82 | G78-K80 PolarHBondContact O-N 3.06Å; K80-M82 HydrophobicContact CD-SD 3.55Å; K80-M82 VanDerWaalsContact CD-SD 3.55Å; K80-M82 WeakPolarHBondContact CE-SD 3.43Å; K80-M82 HydrophobicContact CG-CG 4.32Å; K80-M82 HydrophobicContact CG-SD 3.76Å; K80-M82 PolarHBondContact O-N 2.91Å |
| 81 | I | 81.3 | Confident | 88.4 | Confident | 75 Ų | 75 | 58.6 Ų | 58.6 | 39% | 0.385 | 30% | 0.297 | S | S | . | . | trans | -71.2 | 118.4 | 173.5 | -59.7 | 165.6 | 0 | 0 | 0 | 108.1 | P73 F84 | P73-I81 HydrophobicContact CB-CD1 3.94Å; P73-I81 HydrophobicContact CB-CG1 4.27Å; P73-I81 HydrophobicContact CB-CG2 3.78Å; P73-I81 HydrophobicContact CG-CD1 3.95Å; P73-I81 HydrophobicContact CG-CG2 4.38Å; I81-F84 HydrophobicContact CG2-CD2 4.35Å; I81-F84 HydrophobicContact CG2-CE1 4.04Å; I81-F84 HydrophobicContact CG2-CE2 3.68Å; I81-F84 HydrophobicContact CG2-CZ 3.51Å | ||
| 82 | M | 85.3 | Confident | 88.3 | Confident | 94 Ų | 94 | 61.5 Ų | 61.5 | 46% | 0.463 | 30% | 0.304 | S | S | . | . | trans | -122.1 | -16.7 | -177.8 | -64.8 | -59.5 | -61.5 | 0 | 0 | 112.7 | D60 K61 K80 | D60-M82 WeakPolarHBondContact CA-O 3.35Å; K61-M82 PolarHBondContact N-O 2.84Å; K80-M82 HydrophobicContact CD-SD 3.55Å; K80-M82 VanDerWaalsContact CD-SD 3.55Å; K80-M82 WeakPolarHBondContact CE-SD 3.43Å; K80-M82 HydrophobicContact CG-CG 4.32Å; K80-M82 HydrophobicContact CG-SD 3.76Å; K80-M82 PolarHBondContact O-N 2.91Å | ||
| 83 | K | 91.4 | Very high | 88 | Confident | 21 Ų | 21 | 57.2 Ų | 57.2 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 144.1 | 178.9 | -66.8 | -71.2 | -177.8 | 179.2 | 0 | 111.1 | I41 D42 E43 D44 L59 S74 | I41-K83 VanDerWaalsContact O-CE 3.26Å; I41-K83 WeakPolarHBondContact O-CE 3.43Å; D42-K83 WeakPolarHBondContact O-CE 3.43Å; D42-K83 PolarHBondContact O-NZ 3.2Å; E43-K83 VanDerWaalsContact C-NZ 3.35Å; E43-K83 PolarHBondContact O-NZ 3.41Å; D44-K83 VanDerWaalsContact C-NZ 3.32Å; D44-K83 PolarHBondContact O-NZ 3.38Å; L59-K83 CarbonylContact O-C 3.48Å; L59-K83 VanDerWaalsContact O-CA 3.25Å; L59-K83 WeakPolarHBondContact O-CA 3.36Å; S74-K83 WeakPolarHBondContact CB-O 3.06Å; S74-K83 PolarHBondContact N-O 2.94Å |
| 84 | F | 93.9 | Very high | 87.7 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 10% | 0.101 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 135.1 | 178.1 | -68.5 | -97.4 | 0 | 0 | 0 | 110 | L59 K61 Y64 H72 P73 I81 | L59-F84 PolarHBondContact N-O 3.46Å; L59-F84 PolarHBondContact O-N 3.06Å; K61-F84 HydrophobicContact CB-CD2 4.49Å; K61-F84 HydrophobicContact CB-CE2 3.97Å; K61-F84 HydrophobicContact CG-CE2 3.91Å; Y64-F84 HydrophobicContact CD1-CB 3.94Å; Y64-F84 AromaticContact CD1-CD1 3.55Å; Y64-F84 HydrophobicContact CD1-CD1 3.55Å; Y64-F84 AromaticContact CD1-CD2 3.75Å; Y64-F84 HydrophobicContact CD1-CD2 3.75Å; Y64-F84 AromaticContact CD1-CE1 3.91Å; Y64-F84 HydrophobicContact CD1-CE1 3.91Å; Y64-F84 HydrophobicContact CD1-CE2 4.11Å; Y64-F84 AromaticContact CD1-CG 3.46Å; Y64-F84 HydrophobicContact CD1-CG 3.46Å; Y64-F84 VanDerWaalsContact CD1-CG 3.46Å; Y64-F84 HydrophobicContact CD1-CZ 4.18Å; Y64-F84 HydrophobicContact CD2-CB 3.55Å; Y64-F84 HydrophobicContact CD2-CD1 4.41Å; Y64-F84 HydrophobicContact CD2-CG 4.04Å; Y64-F84 HydrophobicContact CE1-CB 4.39Å; Y64-F84 AromaticContact CE1-CD1 3.46Å; Y64-F84 HydrophobicContact CE1-CD1 3.46Å; Y64-F84 VanDerWaalsContact CE1-CD1 3.46Å; Y64-F84 AromaticContact CE1-CE1 3.75Å; Y64-F84 HydrophobicContact CE1-CE1 3.75Å; Y64-F84 AromaticContact CE1-CG 3.88Å; Y64-F84 HydrophobicContact CE1-CG 3.88Å; Y64-F84 HydrophobicContact CE1-CZ 4.39Å; Y64-F84 HydrophobicContact CE2-CB 4.05Å; Y64-F84 HydrophobicContact CE2-CD1 4.35Å; Y64-F84 HydrophobicContact CE2-CG 4.41Å; Y64-F84 HydrophobicContact CG-CB 3.49Å; Y64-F84 VanDerWaalsContact CG-CB 3.49Å; Y64-F84 HydrophobicContact CG-CD1 4.03Å; Y64-F84 AromaticContact CG-CD2 3.91Å; Y64-F84 HydrophobicContact CG-CD2 3.91Å; Y64-F84 AromaticContact CG-CG 3.54Å; Y64-F84 HydrophobicContact CG-CG 3.54Å; Y64-F84 AromaticContact CZ-CD1 3.89Å; H72-F84 CarbonylContact O-C 3.56Å; H72-F84 VanDerWaalsContact O-CA 3.26Å; H72-F84 WeakPolarHBondContact O-CA 3.33Å; P73-F84 HydrophobicContact CB-CE1 4.44Å; P73-F84 HydrophobicContact CG-CD1 4.31Å; P73-F84 HydrophobicContact CG-CE1 3.95Å; I81-F84 HydrophobicContact CG2-CD2 4.35Å; I81-F84 HydrophobicContact CG2-CE1 4.04Å; I81-F84 HydrophobicContact CG2-CE2 3.68Å; I81-F84 HydrophobicContact CG2-CZ 3.51Å |
| 85 | I | 94.8 | Very high | 87.6 | Confident | 11 Ų | 11 | 60.9 Ų | 60.9 | 6% | 0.056 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126.6 | -179.9 | -52.3 | -54.8 | 0 | 0 | 0 | 109.6 | I56 L57 G71 H72 E268 | I56-I85 HydrophobicContact CG2-CG2 3.99Å; L57-I85 WeakPolarHBondContact O-CA 2.84Å; G71-I85 CarbonylContact C-O 3.54Å; G71-I85 WeakPolarHBondContact CA-O 3.38Å; H72-I85 PolarHBondContact N-O 3.49Å; H72-I85 PolarHBondContact O-N 3.27Å; I85-E268 HydrophobicContact CD1-CG 4.35Å; I85-E268 HydrophobicContact CG1-CG 3.82Å; I85-E268 WeakPolarHBondContact CG1-OE2 3.5Å |
| 86 | V | 95.9 | Very high | 87.5 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.3 | 174.6 | 177.5 | 0 | 0 | 0 | 0 | 108.1 | I56 L57 L59 Y64 L69 I88 | I56-V86 WeakPolarHBondContact CA-O 3.25Å; L57-V86 HydrophobicContact CB-CB 4.26Å; L57-V86 PolarHBondContact N-O 2.77Å; L57-V86 PolarHBondContact O-N 2.95Å; L59-V86 HydrophobicContact CD1-CG2 4.1Å; Y64-V86 HydrophobicContact CD2-CG2 3.89Å; Y64-V86 HydrophobicContact CE2-CG2 3.92Å; L69-V86 HydrophobicContact CB-CG1 4Å; L69-V86 HydrophobicContact CB-CG2 4.19Å; L69-V86 HydrophobicContact CD1-CG1 4.17Å; V86-I88 HydrophobicContact CG1-CD1 4.22Å; V86-I88 HydrophobicContact CG1-CG1 4.01Å |
| 87 | S | 96.1 | Very high | 87.6 | Confident | 63 Ų | 63 | 61.1 Ų | 61.1 | 44% | 0.441 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.2 | 177.5 | -169.7 | 0 | 0 | 0 | 0 | 110.4 | I56 | I56-S87 WeakPolarHBondContact CD1-OG 3.38Å |
| 88 | I | 95.3 | Very high | 87.8 | Confident | 5 Ų | 5 | 67.2 Ų | 67.2 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 118.7 | -177.5 | -60.9 | 176.3 | 0 | 0 | 0 | 108.7 | K54 L55 L57 V86 L90 L93 I105 F109 | K54-I88 WeakPolarHBondContact CA-O 3.34Å; L55-I88 HydrophobicContact CB-CB 4.28Å; L55-I88 PolarHBondContact N-O 3.12Å; L55-I88 PolarHBondContact O-N 2.84Å; L57-I88 HydrophobicContact CD1-CD1 4.09Å; V86-I88 HydrophobicContact CG1-CD1 4.22Å; V86-I88 HydrophobicContact CG1-CG1 4.01Å; I88-L90 HydrophobicContact CG2-CD2 4.1Å; I88-L90 PolarHBondContact O-N 3.47Å; I88-L93 HydrophobicContact CG2-CD1 3.12Å; I88-L93 HydrophobicContact CG2-CG 4.26Å; I88-I105 HydrophobicContact CD1-CD1 4.32Å; I88-I105 HydrophobicContact CD1-CG2 3.96Å; I88-I105 HydrophobicContact CG1-CD1 4.38Å; I88-I105 HydrophobicContact CG2-CD1 4.14Å; I88-F109 HydrophobicContact CD1-CE2 3.92Å; I88-F109 HydrophobicContact CD1-CZ 3.67Å |
| 89 | D | 94.8 | Very high | 88.4 | Confident | 44 Ų | 44 | 67.2 Ų | 67.2 | 24% | 0.235 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 109 | 174.2 | -166.9 | -49.9 | 0 | 0 | 0 | 110 | M91 E92 L93 | D89-M91 VanDerWaalsContact C-N 3.3Å; D89-M91 PolarHBondContact O-N 3.04Å; D89-M91 WeakPolarHBondContact OD1-CA 3.48Å; D89-M91 WeakPolarHBondContact OD1-CB 3.34Å; D89-M91 PolarHBondContact OD1-N 3.36Å; D89-E92 HydrophobicContact CB-CB 3.88Å; D89-E92 PolarHBondContact OD1-N 3.01Å; D89-L93 WeakPolarHBondContact O-CB 3.38Å; D89-L93 WeakPolarHBondContact O-CG 3.42Å; D89-L93 PolarHBondContact O-N 2.84Å |
| 90 | L | 95 | Very high | 89.1 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.4 | -27.3 | -177.6 | -58.8 | -175.1 | 0 | 0 | 0 | 112.3 | L17 I18 F22 I23 I27 L49 G53 L55 I88 L93 S94 | L17-L90 WeakPolarHBondContact O-CD1 3.16Å; I18-L90 HydrophobicContact CB-CD2 4.37Å; I18-L90 HydrophobicContact CG2-CD2 3.75Å; F22-L90 HydrophobicContact CE1-CD1 4.4Å; I23-L90 HydrophobicContact CD1-CB 4.21Å; I23-L90 HydrophobicContact CG1-CB 4.17Å; I27-L90 HydrophobicContact CD1-CD1 4.06Å; I27-L90 HydrophobicContact CG1-CD1 4.08Å; L49-L90 HydrophobicContact CD1-CD1 3.58Å; G53-L90 WeakPolarHBondContact O-CB 3.42Å; G53-L90 VanDerWaalsContact O-CG 3.25Å; G53-L90 WeakPolarHBondContact O-CG 3.26Å; G53-L90 PolarHBondContact O-N 3.18Å; L55-L90 HydrophobicContact CB-CD1 4.48Å; L55-L90 HydrophobicContact CB-CD2 4.2Å; L55-L90 HydrophobicContact CB-CG 4.3Å; L55-L90 HydrophobicContact CD2-CD2 4.46Å; I88-L90 HydrophobicContact CG2-CD2 4.1Å; I88-L90 PolarHBondContact O-N 3.47Å; L90-L93 HydrophobicContact CD2-CD1 4.04Å; L90-S94 WeakPolarHBondContact O-CB 3.2Å; L90-S94 PolarHBondContact O-N 3.22Å |
| 91 | M | 91.6 | Very high | 89.4 | Confident | 76 Ų | 76 | 60.4 Ų | 60.4 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.3 | -47.1 | 176.2 | -70.7 | -65.6 | -74.9 | 0 | 0 | 110 | I27 K28 D89 L93 S94 L95 | I27-M91 HydrophobicContact CG2-CG 4.01Å; I27-M91 HydrophobicContact CG2-SD 3.72Å; K28-M91 HydrophobicContact CG-CE 4.2Å; K28-M91 HydrophobicContact CG-SD 3.85Å; D89-M91 VanDerWaalsContact C-N 3.3Å; D89-M91 PolarHBondContact O-N 3.04Å; D89-M91 WeakPolarHBondContact OD1-CA 3.48Å; D89-M91 WeakPolarHBondContact OD1-CB 3.34Å; D89-M91 PolarHBondContact OD1-N 3.36Å; M91-L93 VanDerWaalsContact C-N 3.33Å; M91-L93 PolarHBondContact O-N 3.39Å; M91-S94 PolarHBondContact O-N 2.83Å; M91-S94 PolarHBondContact O-OG 2.9Å; M91-L95 WeakPolarHBondContact O-CG 3.23Å; M91-L95 PolarHBondContact O-N 2.87Å |
| 92 | E | 90.9 | Very high | 89.8 | Confident | 87 Ų | 87 | 58.2 Ų | 58.2 | 41% | 0.407 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 174.3 | -166.4 | -158.6 | 149 | 0 | 0 | 111.7 | D89 S94 L95 N96 K101 | D89-E92 HydrophobicContact CB-CB 3.88Å; D89-E92 PolarHBondContact OD1-N 3.01Å; E92-S94 VanDerWaalsContact C-N 3.33Å; E92-S94 PolarHBondContact O-N 2.84Å; E92-L95 PolarHBondContact O-N 2.97Å; E92-N96 PolarHBondContact O-ND2 3.03Å; E92-K101 IonicContact OE1-NZ 3.55Å; E92-K101 PolarHBondContact OE1-NZ 3.3Å; E92-K101 IonicContact OE2-NZ 2.77Å; E92-K101 PolarHBondContact OE2-NZ 3.17Å |
| 93 | L | 88.1 | Confident | 90.1 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 175.5 | -87.8 | 167.1 | 0 | 0 | 0 | 112.3 | I88 D89 L90 M91 L95 N96 Y102 I105 | I88-L93 HydrophobicContact CG2-CD1 3.12Å; I88-L93 HydrophobicContact CG2-CG 4.26Å; D89-L93 WeakPolarHBondContact O-CB 3.38Å; D89-L93 WeakPolarHBondContact O-CG 3.42Å; D89-L93 PolarHBondContact O-N 2.84Å; L90-L93 HydrophobicContact CD2-CD1 4.04Å; M91-L93 VanDerWaalsContact C-N 3.33Å; M91-L93 PolarHBondContact O-N 3.39Å; L93-L95 PolarHBondContact O-N 3.4Å; L93-N96 CarbonylContact O-C 3.48Å; L93-N96 PolarHBondContact O-N 2.95Å; L93-N96 VanDerWaalsContact O-N 3.16Å; L93-Y102 HydrophobicContact CD2-CD2 3.7Å; L93-Y102 HydrophobicContact CD2-CG 4.25Å; L93-I105 HydrophobicContact CD1-CD1 4.2Å; L93-I105 HydrophobicContact CD2-CD1 3.95Å |
| 94 | S | 86.8 | Confident | 90.2 | Very high | 18 Ų | 18 | 65 Ų | 65 | 13% | 0.126 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.1 | -20.4 | -177.3 | 79.8 | 0 | 0 | 0 | 0 | 114.3 | K28 L90 M91 E92 | K28-S94 WeakPolarHBondContact CE-OG 3.37Å; K28-S94 PolarHBondContact NZ-OG 2.81Å; K28-S94 VanDerWaalsContact NZ-OG 3.1Å; L90-S94 WeakPolarHBondContact O-CB 3.2Å; L90-S94 PolarHBondContact O-N 3.22Å; M91-S94 PolarHBondContact O-N 2.83Å; M91-S94 PolarHBondContact O-OG 2.9Å; E92-S94 VanDerWaalsContact C-N 3.33Å; E92-S94 PolarHBondContact O-N 2.84Å |
| 95 | L | 86.7 | Confident | 90.1 | Very high | 134 Ų | 134 | 64.4 Ų | 64.4 | 70% | 0.702 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -79.8 | -22 | 176.8 | -65.9 | 172.2 | 0 | 0 | 0 | 112.1 | M91 E92 L93 | M91-L95 WeakPolarHBondContact O-CG 3.23Å; M91-L95 PolarHBondContact O-N 2.87Å; E92-L95 PolarHBondContact O-N 2.97Å; L93-L95 PolarHBondContact O-N 3.4Å |
| 96 | N | 83.7 | Confident | 90.1 | Very high | 87 Ų | 87 | 64.7 Ų | 64.7 | 47% | 0.465 | 32% | 0.321 | S | S | . | . | trans | -136.2 | 60.5 | -170.6 | -58.5 | -67.7 | 0 | 0 | 0 | 111.6 | E92 L93 D98 S99 | E92-N96 PolarHBondContact O-ND2 3.03Å; L93-N96 CarbonylContact O-C 3.48Å; L93-N96 PolarHBondContact O-N 2.95Å; L93-N96 VanDerWaalsContact O-N 3.16Å; N96-D98 PolarHBondContact O-N 3.05Å; N96-S99 VanDerWaalsContact O-CB 3.22Å; N96-S99 WeakPolarHBondContact O-CB 3.5Å; N96-S99 PolarHBondContact O-N 3.15Å; N96-S99 PolarHBondContact O-OG 2.95Å | ||
| 97 | L | 81.3 | Confident | 90 | Very high | 64 Ų | 64 | 71.1 Ų | 71.1 | 34% | 0.335 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -28 | -179.4 | -64.9 | 175.8 | 0 | 0 | 0 | 113 | P20 S99 Y102 | P20-L97 HydrophobicContact CB-CD1 4.15Å; P20-L97 HydrophobicContact CG-CD1 3.94Å; P20-L97 HydrophobicContact CG-CD2 3.94Å; L97-S99 VanDerWaalsContact C-N 3.26Å; L97-S99 PolarHBondContact O-N 3.14Å; L97-Y102 HydrophobicContact CD2-CD2 3.84Å; L97-Y102 HydrophobicContact CD2-CE1 4.42Å; L97-Y102 HydrophobicContact CD2-CE2 3.63Å; L97-Y102 HydrophobicContact CD2-CG 4.36Å; L97-Y102 WeakPolarHBondContact O-CD1 3.19Å |
| 98 | D | 81.6 | Confident | 89.9 | Confident | 158 Ų | 158 | 68.1 Ų | 68.1 | 85% | 0.845 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 6.9 | 176.4 | -55 | -43.2 | 0 | 0 | 0 | 113.1 | N96 | N96-D98 PolarHBondContact O-N 3.05Š|
| 99 | S | 87.3 | Confident | 89.9 | Confident | 34 Ų | 34 | 67.9 Ų | 67.9 | 24% | 0.238 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -74.5 | 143 | 178.4 | 67.9 | 0 | 0 | 0 | 0 | 111.3 | N96 L97 K101 Y102 E103 | N96-S99 VanDerWaalsContact O-CB 3.22Å; N96-S99 WeakPolarHBondContact O-CB 3.5Å; N96-S99 PolarHBondContact O-N 3.15Å; N96-S99 PolarHBondContact O-OG 2.95Å; L97-S99 VanDerWaalsContact C-N 3.26Å; L97-S99 PolarHBondContact O-N 3.14Å; S99-K101 PolarHBondContact O-N 2.78Å; S99-Y102 PolarHBondContact O-N 3.44Å; S99-Y102 PolarHBondContact OG-N 2.65Å; S99-Y102 VanDerWaalsContact OG-N 3.1Å; S99-E103 PolarHBondContact O-N 3.1Å |
| 100 | K | 88.2 | Confident | 89.8 | Confident | 179 Ų | 179 | 69.9 Ų | 69.9 | 78% | 0.778 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -52.8 | -26.6 | 168.1 | -65.5 | -175.6 | 178 | -179.2 | 0 | 112.8 | R104 | K100-R104 WeakPolarHBondContact O-CB 3.39Å; K100-R104 PolarHBondContact O-N 3.42Å |
| 101 | K | 88.1 | Confident | 89.7 | Confident | 91 Ų | 91 | 76.5 Ų | 76.5 | 40% | 0.396 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.6 | -50.9 | 175.4 | -174.8 | -176.6 | 179.6 | -176 | 0 | 110.7 | E92 S99 R104 I105 | E92-K101 IonicContact OE1-NZ 3.55Å; E92-K101 PolarHBondContact OE1-NZ 3.3Å; E92-K101 IonicContact OE2-NZ 2.77Å; E92-K101 PolarHBondContact OE2-NZ 3.17Å; S99-K101 PolarHBondContact O-N 2.78Å; K101-R104 PolarHBondContact O-N 2.88Å; K101-I105 HydrophobicContact CG-CD1 4.06Å; K101-I105 WeakPolarHBondContact O-CG1 3.44Å; K101-I105 PolarHBondContact O-N 3.35Å |
| 102 | Y | 89.9 | Confident | 89.7 | Confident | 30 Ų | 30 | 77.2 Ų | 77.2 | 12% | 0.118 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60 | -49 | 175.9 | 178.8 | -93.1 | 0 | 0 | 0 | 111.2 | L93 L97 S99 R104 I105 S106 | L93-Y102 HydrophobicContact CD2-CD2 3.7Å; L93-Y102 HydrophobicContact CD2-CG 4.25Å; L97-Y102 HydrophobicContact CD2-CD2 3.84Å; L97-Y102 HydrophobicContact CD2-CE1 4.42Å; L97-Y102 HydrophobicContact CD2-CE2 3.63Å; L97-Y102 HydrophobicContact CD2-CG 4.36Å; L97-Y102 WeakPolarHBondContact O-CD1 3.19Å; S99-Y102 PolarHBondContact O-N 3.44Å; S99-Y102 PolarHBondContact OG-N 2.65Å; S99-Y102 VanDerWaalsContact OG-N 3.1Å; Y102-R104 VanDerWaalsContact C-N 3.33Å; Y102-R104 PolarHBondContact O-N 3.18Å; Y102-I105 PolarHBondContact O-N 2.85Å; Y102-S106 VanDerWaalsContact O-CB 3.26Å; Y102-S106 WeakPolarHBondContact O-CB 3.4Å; Y102-S106 PolarHBondContact O-N 3.49Å |
| 103 | E | 90.8 | Very high | 89.9 | Confident | 118 Ų | 118 | 75.9 Ų | 75.9 | 55% | 0.551 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -56.5 | -45.7 | 177.9 | -69.1 | -179.8 | 162.6 | 0 | 0 | 111.9 | S99 S106 W107 | S99-E103 PolarHBondContact O-N 3.1Å; E103-S106 PolarHBondContact O-N 3.3Å; E103-W107 WeakPolarHBondContact O-CB 3.47Å; E103-W107 PolarHBondContact O-N 2.8Å |
| 104 | R | 92.4 | Very high | 90.1 | Very high | 140 Ų | 140 | 79.3 Ų | 79.3 | 53% | 0.528 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 178.3 | -178.7 | 178.3 | 179.6 | 171.2 | 1.9 | 112.2 | G68 K100 K101 Y102 S108 | G68-R104 PolarHBondContact O-NE 3.35Å; G68-R104 PolarHBondContact O-NH2 3.01Å; K100-R104 WeakPolarHBondContact O-CB 3.39Å; K100-R104 PolarHBondContact O-N 3.42Å; K101-R104 PolarHBondContact O-N 2.88Å; Y102-R104 VanDerWaalsContact C-N 3.33Å; Y102-R104 PolarHBondContact O-N 3.18Å; R104-S108 VanDerWaalsContact O-CB 3.24Å; R104-S108 WeakPolarHBondContact O-CB 3.37Å; R104-S108 PolarHBondContact O-N 2.73Å |
| 105 | I | 93.6 | Very high | 90.6 | Very high | 10 Ų | 10 | 79.2 Ų | 79.2 | 5% | 0.051 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.1 | -46.8 | 179.7 | -68.1 | 167 | 0 | 0 | 0 | 110.2 | I18 L69 I88 L93 K101 Y102 W107 S108 F109 | I18-I105 HydrophobicContact CD1-CG2 3.76Å; L69-I105 HydrophobicContact CD2-CB 4.45Å; L69-I105 HydrophobicContact CD2-CG1 3.82Å; I88-I105 HydrophobicContact CD1-CD1 4.32Å; I88-I105 HydrophobicContact CD1-CG2 3.96Å; I88-I105 HydrophobicContact CG1-CD1 4.38Å; I88-I105 HydrophobicContact CG2-CD1 4.14Å; L93-I105 HydrophobicContact CD1-CD1 4.2Å; L93-I105 HydrophobicContact CD2-CD1 3.95Å; K101-I105 HydrophobicContact CG-CD1 4.06Å; K101-I105 WeakPolarHBondContact O-CG1 3.44Å; K101-I105 PolarHBondContact O-N 3.35Å; Y102-I105 PolarHBondContact O-N 2.85Å; I105-W107 PolarHBondContact O-N 2.96Å; I105-S108 WeakPolarHBondContact O-CB 3.36Å; I105-S108 PolarHBondContact O-N 3.03Å; I105-F109 HydrophobicContact CG2-CD2 3.98Å; I105-F109 HydrophobicContact CG2-CE2 3.67Å; I105-F109 HydrophobicContact CG2-CZ 4.23Å; I105-F109 PolarHBondContact O-N 3.04Å |
| 106 | S | 93.1 | Very high | 91.1 | Very high | 16 Ų | 16 | 78 Ų | 78 | 11% | 0.112 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 178 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | Y102 E103 S108 F109 K110 | Y102-S106 VanDerWaalsContact O-CB 3.26Å; Y102-S106 WeakPolarHBondContact O-CB 3.4Å; Y102-S106 PolarHBondContact O-N 3.49Å; E103-S106 PolarHBondContact O-N 3.3Å; S106-S108 VanDerWaalsContact C-N 3.34Å; S106-S108 PolarHBondContact O-N 3.41Å; S106-F109 PolarHBondContact O-N 2.81Å; S106-K110 VanDerWaalsContact O-CB 3.28Å; S106-K110 WeakPolarHBondContact O-CB 3.35Å; S106-K110 WeakPolarHBondContact O-CG 3.33Å; S106-K110 PolarHBondContact O-N 2.86Å |
| 107 | W | 93.9 | Very high | 91.7 | Very high | 138 Ų | 138 | 74.9 Ų | 74.9 | 52% | 0.523 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 176.1 | -178.8 | 74.5 | 0 | 0 | 0 | 112.4 | E103 I105 E111 K112 | E103-W107 WeakPolarHBondContact O-CB 3.47Å; E103-W107 PolarHBondContact O-N 2.8Å; I105-W107 PolarHBondContact O-N 2.96Å; W107-E111 HydrophobicContact CG-CB 4.44Å; W107-E111 PolarHBondContact O-N 3.26Å; W107-K112 HydrophobicContact CD2-CB 4.48Å; W107-K112 HydrophobicContact CE3-CB 4.23Å; W107-K112 HydrophobicContact CE3-CD 4.21Å; W107-K112 HydrophobicContact CH2-CB 4.09Å; W107-K112 HydrophobicContact CH2-CD 3.67Å; W107-K112 HydrophobicContact CH2-CG 3.86Å; W107-K112 HydrophobicContact CZ2-CB 4.32Å; W107-K112 HydrophobicContact CZ2-CG 4.43Å; W107-K112 HydrophobicContact CZ3-CB 4.08Å; W107-K112 HydrophobicContact CZ3-CD 3.43Å; W107-K112 VanDerWaalsContact CZ3-CD 3.43Å; W107-K112 HydrophobicContact CZ3-CG 4.03Å; W107-K112 PolarHBondContact O-N 2.82Å |
| 108 | S | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | I | π-helix | trans | -58.8 | -49.7 | 176.2 | -169 | 0 | 0 | 0 | 0 | 111.6 | T67 R104 I105 S106 K113 | T67-S108 WeakPolarHBondContact CA-OG 3.25Å; T67-S108 WeakPolarHBondContact CB-OG 3.5Å; T67-S108 PolarHBondContact O-OG 3.26Å; R104-S108 VanDerWaalsContact O-CB 3.24Å; R104-S108 WeakPolarHBondContact O-CB 3.37Å; R104-S108 PolarHBondContact O-N 2.73Å; I105-S108 WeakPolarHBondContact O-CB 3.36Å; I105-S108 PolarHBondContact O-N 3.03Å; S106-S108 VanDerWaalsContact C-N 3.34Å; S106-S108 PolarHBondContact O-N 3.41Å; S108-K113 CarbonylContact O-C 3.6Å; S108-K113 PolarHBondContact O-N 2.97Å |
| 109 | F | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -81.9 | -17.1 | -176.9 | -63 | -20.1 | 0 | 0 | 0 | 115.2 | L14 H15 I18 L57 L69 I88 I105 S106 P114 | L14-F109 HydrophobicContact CD2-CD1 3.99Å; L14-F109 HydrophobicContact CD2-CD2 4.18Å; L14-F109 HydrophobicContact CD2-CE1 3.62Å; L14-F109 HydrophobicContact CD2-CE2 3.86Å; L14-F109 HydrophobicContact CD2-CG 4.27Å; L14-F109 HydrophobicContact CD2-CZ 3.58Å; L14-F109 HydrophobicContact CG-CD2 3.99Å; L14-F109 HydrophobicContact CG-CE1 4.45Å; L14-F109 HydrophobicContact CG-CE2 3.93Å; L14-F109 HydrophobicContact CG-CG 4.32Å; L14-F109 HydrophobicContact CG-CZ 4.19Å; H15-F109 HydrophobicContact CB-CB 3.79Å; I18-F109 HydrophobicContact CD1-CD2 3.72Å; I18-F109 HydrophobicContact CD1-CE2 4.31Å; I18-F109 HydrophobicContact CG1-CD2 4.43Å; I18-F109 HydrophobicContact CG2-CD2 4.42Å; I18-F109 HydrophobicContact CG2-CE2 4.22Å; L57-F109 HydrophobicContact CD1-CZ 4.49Å; L57-F109 HydrophobicContact CD2-CE1 3.9Å; L57-F109 HydrophobicContact CD2-CZ 3.76Å; L69-F109 HydrophobicContact CD1-CD1 4.43Å; L69-F109 HydrophobicContact CD1-CE1 3.47Å; L69-F109 VanDerWaalsContact CD1-CE1 3.47Å; L69-F109 HydrophobicContact CD1-CZ 3.78Å; I88-F109 HydrophobicContact CD1-CE2 3.92Å; I88-F109 HydrophobicContact CD1-CZ 3.67Å; I105-F109 HydrophobicContact CG2-CD2 3.98Å; I105-F109 HydrophobicContact CG2-CE2 3.67Å; I105-F109 HydrophobicContact CG2-CZ 4.23Å; I105-F109 PolarHBondContact O-N 3.04Å; S106-F109 PolarHBondContact O-N 2.81Å; F109-P114 WeakPolarHBondContact O-CA 3.33Å |
| 110 | K | 93.4 | Very high | 93.8 | Very high | 85 Ų | 85 | 65.1 Ų | 65.1 | 37% | 0.37 | 29% | 0.292 | S | S | . | . | I | π-helix | trans | -97.3 | -47.4 | 178.5 | -71.3 | -177.9 | 177.7 | -177.3 | 0 | 112.9 | H15 S106 | H15-K110 HydrophobicContact CB-CG 3.71Å; S106-K110 VanDerWaalsContact O-CB 3.28Å; S106-K110 WeakPolarHBondContact O-CB 3.35Å; S106-K110 WeakPolarHBondContact O-CG 3.33Å; S106-K110 PolarHBondContact O-N 2.86Å |
| 111 | E | 92 | Very high | 94.2 | Very high | 139 Ų | 139 | 56.6 Ų | 56.6 | 65% | 0.65 | 26% | 0.255 | S | S | * | . | I | π-helix | trans | -110.5 | -47.7 | -167.2 | -56.9 | -58.3 | 145.7 | 0 | 0 | 111.8 | W107 | W107-E111 HydrophobicContact CG-CB 4.44Å; W107-E111 PolarHBondContact O-N 3.26Å |
| 112 | K | 92.9 | Very high | 94.5 | Very high | 91 Ų | 91 | 52.3 Ų | 52.3 | 40% | 0.396 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -74.4 | -53.3 | -169.9 | -161 | -176 | -167.9 | -163.8 | 0 | 112.6 | E66 W107 | E66-K112 WeakPolarHBondContact O-CD 3.38Å; E66-K112 WeakPolarHBondContact O-CE 3.15Å; E66-K112 PolarHBondContact O-NZ 2.75Å; W107-K112 HydrophobicContact CD2-CB 4.48Å; W107-K112 HydrophobicContact CE3-CB 4.23Å; W107-K112 HydrophobicContact CE3-CD 4.21Å; W107-K112 HydrophobicContact CH2-CB 4.09Å; W107-K112 HydrophobicContact CH2-CD 3.67Å; W107-K112 HydrophobicContact CH2-CG 3.86Å; W107-K112 HydrophobicContact CZ2-CB 4.32Å; W107-K112 HydrophobicContact CZ2-CG 4.43Å; W107-K112 HydrophobicContact CZ3-CB 4.08Å; W107-K112 HydrophobicContact CZ3-CD 3.43Å; W107-K112 VanDerWaalsContact CZ3-CD 3.43Å; W107-K112 HydrophobicContact CZ3-CG 4.03Å; W107-K112 PolarHBondContact O-N 2.82Å |
| 113 | K | 93.8 | Very high | 94.6 | Very high | 60 Ų | 60 | 52.8 Ų | 52.8 | 26% | 0.261 | 24% | 0.238 | S | C | . | . | trans | -141.8 | 84.7 | 178.6 | -171.3 | 66.3 | 166.3 | -156.4 | 0 | 108.9 | T63 E66 T67 S108 L115 | T63-K113 HydrophobicContact CG2-CG 4.41Å; E66-K113 VanDerWaalsContact OE2-CD 3.27Å; E66-K113 WeakPolarHBondContact OE2-CD 3.41Å; E66-K113 VanDerWaalsContact OE2-CE 3.25Å; E66-K113 WeakPolarHBondContact OE2-CE 3.06Å; E66-K113 IonicContact OE2-NZ 2.69Å; E66-K113 PolarHBondContact OE2-NZ 3.49Å; T67-K113 HydrophobicContact CG2-CB 3.97Å; T67-K113 HydrophobicContact CG2-CG 4.2Å; S108-K113 CarbonylContact O-C 3.6Å; S108-K113 PolarHBondContact O-N 2.97Å; K113-L115 VanDerWaalsContact C-N 3.26Å; K113-L115 HydrophobicContact CD-CD2 4.45Å; K113-L115 HydrophobicContact CG-CD2 3.78Å; K113-L115 HydrophobicContact CG-CG 4.01Å; K113-L115 PolarHBondContact O-N 2.95Å | ||
| 114 | P | 94 | Very high | 94.5 | Very high | 73 Ų | 73 | 49.9 Ų | 49.9 | 47% | 0.474 | 23% | 0.225 | S | C | . | . | trans | -73.6 | 79.7 | -178.3 | 29.3 | -34.2 | 0 | 0 | 0 | 111.6 | F109 | F109-P114 WeakPolarHBondContact O-CA 3.33Š| ||
| 115 | L | 95.9 | Very high | 94.1 | Very high | 17 Ų | 17 | 46.6 Ų | 46.6 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | trans | -66.9 | 137.9 | 177.7 | -62 | 173.7 | 0 | 0 | 0 | 110.7 | L14 L59 T63 T67 K113 F117 | L14-L115 HydrophobicContact CB-CB 4.46Å; L14-L115 HydrophobicContact CD2-CD1 4.44Å; L14-L115 PolarHBondContact N-O 3.02Å; L59-L115 HydrophobicContact CD2-CD1 4.18Å; T63-L115 HydrophobicContact CG2-CD1 4.01Å; T63-L115 HydrophobicContact CG2-CD2 3.95Å; T67-L115 HydrophobicContact CG2-CD1 4.43Å; K113-L115 VanDerWaalsContact C-N 3.26Å; K113-L115 HydrophobicContact CD-CD2 4.45Å; K113-L115 HydrophobicContact CG-CD2 3.78Å; K113-L115 HydrophobicContact CG-CG 4.01Å; K113-L115 PolarHBondContact O-N 2.95Å; L115-F117 HydrophobicContact CB-CE2 3.62Å; L115-F117 HydrophobicContact CB-CZ 3.95Å; L115-F117 HydrophobicContact CD1-CE2 4.37Å; L115-F117 HydrophobicContact CD1-CZ 4.23Å; L115-F117 HydrophobicContact CG-CZ 4.46Å | ||
| 116 | K | 96.9 | Very high | 93 | Very high | 107 Ų | 107 | 51 Ų | 51 | 47% | 0.465 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 141.4 | 175.7 | -55 | -175.1 | -178.9 | -178.4 | 0 | 109.3 | N11 L12 P13 | N11-K116 WeakPolarHBondContact OD1-CB 3.43Å; N11-K116 WeakPolarHBondContact OD1-CD 3.27Å; L12-K116 WeakPolarHBondContact O-CA 3.24Å; P13-K116 HydrophobicContact CB-CG 4.36Å; P13-K116 HydrophobicContact CG-CD 4.38Å; P13-K116 HydrophobicContact CG-CG 4.3Å |
| 117 | F | 97.6 | Very high | 91.6 | Very high | 23 Ų | 23 | 52.9 Ų | 52.9 | 10% | 0.101 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 158.9 | -179.9 | -52.8 | -88.3 | 0 | 0 | 0 | 111 | N11 L12 L14 T36 N45 V47 L115 F119 | N11-F117 CarbonylContact C-O 3.57Å; N11-F117 WeakPolarHBondContact CA-O 3.37Å; N11-F117 PolarHBondContact N-O 2.94Å; L12-F117 PolarHBondContact N-O 3.31Å; L12-F117 PolarHBondContact O-N 3.13Å; L12-F117 VanDerWaalsContact O-N 3.08Å; L14-F117 HydrophobicContact CD2-CE2 4.47Å; T36-F117 HydrophobicContact CG2-CB 3.69Å; T36-F117 HydrophobicContact CG2-CD1 3.87Å; T36-F117 HydrophobicContact CG2-CD2 4.29Å; T36-F117 HydrophobicContact CG2-CG 3.69Å; N45-F117 HydrophobicContact CB-CE1 3.89Å; N45-F117 HydrophobicContact CB-CZ 3.98Å; N45-F117 WeakPolarHBondContact O-CE1 3.35Å; V47-F117 HydrophobicContact CG2-CD2 4.17Å; V47-F117 HydrophobicContact CG2-CE2 3.74Å; V47-F117 HydrophobicContact CG2-CZ 4.05Å; L115-F117 HydrophobicContact CB-CE2 3.62Å; L115-F117 HydrophobicContact CB-CZ 3.95Å; L115-F117 HydrophobicContact CD1-CE2 4.37Å; L115-F117 HydrophobicContact CD1-CZ 4.23Å; L115-F117 HydrophobicContact CG-CZ 4.46Å; F117-F119 HydrophobicContact CB-CD2 3.98Å; F117-F119 HydrophobicContact CB-CE2 3.57Å; F117-F119 HydrophobicContact CB-CZ 4Å; F117-F119 HydrophobicContact CD2-CE2 4Å; F117-F119 AromaticContact CD2-CZ 3.97Å; F117-F119 HydrophobicContact CD2-CZ 3.97Å; F117-F119 HydrophobicContact CG-CE2 4.23Å; F117-F119 HydrophobicContact CG-CZ 4.32Å |
| 118 | D | 97.9 | Very high | 89.8 | Confident | 40 Ų | 40 | 51.9 Ų | 51.9 | 21% | 0.214 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 130.4 | 161.8 | -72.2 | 0.3 | 0 | 0 | 0 | 107.8 | F8 V9 K10 N11 T36 Y37 | F8-D118 HydrophobicContact CE2-CB 3.81Å; F8-D118 HydrophobicContact CZ-CB 4.06Å; V9-D118 WeakPolarHBondContact O-CA 3.33Å; K10-D118 WeakPolarHBondContact CA-OD1 3.13Å; K10-D118 WeakPolarHBondContact CG-OD1 3.48Å; N11-D118 PolarHBondContact N-OD1 2.69Å; T36-D118 CarbonylContact C-O 3.53Å; T36-D118 WeakPolarHBondContact CA-O 3.45Å; Y37-D118 PolarHBondContact N-O 3.21Å |
| 119 | F | 97.9 | Very high | 88 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139.3 | -177.7 | -78.2 | -86.4 | 0 | 0 | 0 | 112.1 | F8 V9 L12 L14 L17 A34 L35 T36 V47 F117 L121 | F8-F119 CarbonylContact C-O 3.51Å; F8-F119 WeakPolarHBondContact CA-O 3.21Å; V9-F119 PolarHBondContact N-O 2.81Å; V9-F119 PolarHBondContact O-N 2.88Å; L12-F119 HydrophobicContact CB-CD2 3.9Å; L12-F119 HydrophobicContact CB-CE2 4.33Å; L12-F119 HydrophobicContact CD2-CD2 3.94Å; L12-F119 HydrophobicContact CD2-CE2 4.39Å; L12-F119 HydrophobicContact CG-CD2 4.39Å; L14-F119 HydrophobicContact CD1-CZ 4.3Å; L17-F119 HydrophobicContact CD1-CE1 4.15Å; L17-F119 HydrophobicContact CD1-CE2 4.41Å; L17-F119 HydrophobicContact CD1-CZ 3.98Å; A34-F119 HydrophobicContact CB-CD1 4.04Å; A34-F119 HydrophobicContact CB-CE1 4.43Å; L35-F119 CarbonylContact O-C 3.57Å; L35-F119 WeakPolarHBondContact O-CA 3.25Å; T36-F119 HydrophobicContact CG2-CD1 4.18Å; T36-F119 HydrophobicContact CG2-CE1 3.63Å; T36-F119 HydrophobicContact CG2-CZ 3.88Å; V47-F119 HydrophobicContact CB-CE1 4Å; V47-F119 HydrophobicContact CB-CZ 4.09Å; V47-F119 HydrophobicContact CG1-CE1 4.24Å; V47-F119 HydrophobicContact CG1-CZ 4.33Å; F117-F119 HydrophobicContact CB-CD2 3.98Å; F117-F119 HydrophobicContact CB-CE2 3.57Å; F117-F119 HydrophobicContact CB-CZ 4Å; F117-F119 HydrophobicContact CD2-CE2 4Å; F117-F119 AromaticContact CD2-CZ 3.97Å; F117-F119 HydrophobicContact CD2-CZ 3.97Å; F117-F119 HydrophobicContact CG-CE2 4.23Å; F117-F119 HydrophobicContact CG-CZ 4.32Å; F119-L121 HydrophobicContact CB-CD2 4.4Å; F119-L121 HydrophobicContact CB-CG 4.16Å |
| 120 | L | 97.6 | Very high | 86.1 | Confident | 10 Ų | 10 | 65.6 Ų | 65.6 | 5% | 0.052 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 132.7 | 152.1 | -65.3 | 175 | 0 | 0 | 0 | 108.6 | Y6 Y7 F8 A34 L35 Y37 F224 F257 | Y6-L120 HydrophobicContact CD2-CD2 4Å; Y6-L120 HydrophobicContact CE2-CD2 3.93Å; Y7-L120 CarbonylContact O-C 3.55Å; Y7-L120 WeakPolarHBondContact O-CA 3.46Å; F8-L120 HydrophobicContact CD2-CD2 4.42Å; A34-L120 CarbonylContact C-O 3.6Å; A34-L120 VanDerWaalsContact CA-O 3.29Å; A34-L120 WeakPolarHBondContact CA-O 3.48Å; L35-L120 PolarHBondContact N-O 2.82Å; L35-L120 PolarHBondContact O-N 3.38Å; Y37-L120 HydrophobicContact CD2-CD1 3.56Å; Y37-L120 HydrophobicContact CD2-CD2 4.36Å; Y37-L120 HydrophobicContact CD2-CG 3.83Å; Y37-L120 HydrophobicContact CE2-CD1 4.05Å; Y37-L120 HydrophobicContact CG-CD1 4.25Å; Y37-L120 HydrophobicContact CG-CD2 4.39Å; Y37-L120 HydrophobicContact CG-CG 4Å; L120-F224 HydrophobicContact CB-CB 4.41Å; L120-F224 HydrophobicContact CB-CD1 4.13Å; L120-F224 HydrophobicContact CB-CD2 4.24Å; L120-F224 HydrophobicContact CB-CE1 4.45Å; L120-F224 HydrophobicContact CB-CG 4.03Å; L120-F224 HydrophobicContact CD1-CB 4.32Å; L120-F224 HydrophobicContact CD1-CD2 4.26Å; L120-F224 HydrophobicContact CD1-CG 4.42Å; L120-F257 HydrophobicContact CD1-CE1 3.67Å; L120-F257 HydrophobicContact CD1-CZ 3.76Å |
| 121 | L | 96.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 141 | 180 | -64.9 | 170 | 0 | 0 | 0 | 110.4 | Y6 Y7 V9 Y33 A34 F119 M133 F137 | Y6-L121 CarbonylContact C-O 3.59Å; Y6-L121 WeakPolarHBondContact CA-O 3.44Å; Y7-L121 PolarHBondContact N-O 3.23Å; Y7-L121 PolarHBondContact O-N 3.15Å; V9-L121 HydrophobicContact CB-CD1 4.28Å; V9-L121 HydrophobicContact CG2-CD1 3.52Å; Y33-L121 WeakPolarHBondContact O-CA 3.27Å; A34-L121 HydrophobicContact CB-CD2 3.3Å; F119-L121 HydrophobicContact CB-CD2 4.4Å; F119-L121 HydrophobicContact CB-CG 4.16Å; L121-M133 HydrophobicContact CB-CE 3.87Å; L121-M133 HydrophobicContact CB-SD 3.47Å; L121-M133 WeakPolarHBondContact CB-SD 3.49Å; L121-M133 HydrophobicContact CD1-SD 4.15Å; L121-M133 HydrophobicContact CG-SD 4.39Å; L121-F137 HydrophobicContact CD1-CD2 4.06Å; L121-F137 HydrophobicContact CD1-CE2 3.7Å; L121-F137 HydrophobicContact CD1-CZ 4.23Å |
| 122 | A | 94.9 | Very high | 83.9 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 2% | 0.017 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 149.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y33 F224 L226 | Y33-A122 PolarHBondContact N-O 3.16Å; Y33-A122 PolarHBondContact O-N 3.27Å; A122-F224 HydrophobicContact CB-CD1 3.6Å; A122-F224 HydrophobicContact CB-CE1 3.88Å; A122-L226 HydrophobicContact CB-CD1 4.08Å; A122-L226 HydrophobicContact CB-CD2 3.55Å; A122-L226 HydrophobicContact CB-CG 3.95Å |
| 123 | W | 92.4 | Very high | 83.7 | Confident | 40 Ų | 40 | 55.7 Ų | 55.7 | 15% | 0.152 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 117.9 | -176.7 | 179.4 | 53.4 | 0 | 0 | 0 | 110.2 | T25 F26 K29 S31 K125 S131 M133 | T25-W123 WeakPolarHBondContact O-CZ2 3.49Å; F26-W123 AromaticContact CD1-CD2 3.7Å; F26-W123 HydrophobicContact CD1-CD2 3.7Å; F26-W123 AromaticContact CD1-CE2 3.89Å; F26-W123 AromaticContact CD1-CE3 3.91Å; F26-W123 HydrophobicContact CD1-CE3 3.91Å; F26-W123 HydrophobicContact CD1-CG 4.03Å; F26-W123 HydrophobicContact CD1-CH2 4.45Å; F26-W123 HydrophobicContact CD1-CZ2 4.28Å; F26-W123 HydrophobicContact CD1-CZ3 4.28Å; F26-W123 HydrophobicContact CE1-CD2 4.28Å; F26-W123 HydrophobicContact CE1-CE3 4.01Å; F26-W123 HydrophobicContact CE1-CZ3 4.24Å; F26-W123 PolarHBondContact O-NE1 3.43Å; K29-W123 HydrophobicContact CB-CZ2 4.18Å; S31-W123 WeakPolarHBondContact O-CA 3.49Å; W123-K125 HydrophobicContact CD2-CB 4.18Å; W123-K125 HydrophobicContact CE3-CB 4.08Å; W123-K125 HydrophobicContact CE3-CG 4.46Å; W123-K125 HydrophobicContact CH2-CB 4.15Å; W123-K125 HydrophobicContact CH2-CD 3.9Å; W123-K125 HydrophobicContact CH2-CG 3.7Å; W123-K125 HydrophobicContact CZ2-CB 4.23Å; W123-K125 HydrophobicContact CZ2-CG 4Å; W123-K125 HydrophobicContact CZ3-CB 4.07Å; W123-K125 HydrophobicContact CZ3-CD 3.82Å; W123-K125 HydrophobicContact CZ3-CG 3.95Å; W123-K125 PolarHBondContact O-N 3.28Å; W123-S131 WeakPolarHBondContact CZ3-O 3.14Å; W123-M133 HydrophobicContact CB-CE 3.39Å |
| 124 | H | 88.8 | Confident | 83.6 | Confident | 57 Ų | 57 | 55.8 Ų | 55.8 | 26% | 0.264 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 104.4 | 168.2 | -171.8 | 81 | 0 | 0 | 0 | 108.6 | G30 S31 L226 | G30-H124 WeakPolarHBondContact CA-O 3.42Å; S31-H124 PolarHBondContact N-O 2.82Å; S31-H124 PolarHBondContact O-N 2.89Å; H124-L226 HydrophobicContact CB-CD1 3.79Å |
| 125 | K | 83.6 | Confident | 83.5 | Confident | 71 Ų | 71 | 55.4 Ų | 55.4 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 134.1 | -175.7 | -179 | -177.7 | 173.5 | -139.3 | 0 | 111.6 | W123 G127 S128 E129 | W123-K125 HydrophobicContact CD2-CB 4.18Å; W123-K125 HydrophobicContact CE3-CB 4.08Å; W123-K125 HydrophobicContact CE3-CG 4.46Å; W123-K125 HydrophobicContact CH2-CB 4.15Å; W123-K125 HydrophobicContact CH2-CD 3.9Å; W123-K125 HydrophobicContact CH2-CG 3.7Å; W123-K125 HydrophobicContact CZ2-CB 4.23Å; W123-K125 HydrophobicContact CZ2-CG 4Å; W123-K125 HydrophobicContact CZ3-CB 4.07Å; W123-K125 HydrophobicContact CZ3-CD 3.82Å; W123-K125 HydrophobicContact CZ3-CG 3.95Å; W123-K125 PolarHBondContact O-N 3.28Å; K125-G127 WeakPolarHBondContact CE-O 3.48Å; K125-G127 PolarHBondContact NZ-O 3.43Å; K125-S128 PolarHBondContact NZ-O 3.29Å; K125-E129 WeakPolarHBondContact CE-O 3.22Å; K125-E129 PolarHBondContact NZ-O 3.13Å |
| 126 | T | 70.2 | Confident | 83.4 | Confident | 102 Ų | 102 | 57.3 Ų | 57.3 | 63% | 0.626 | 31% | 0.314 | S | S | * | . | trans | -106.2 | 77.5 | 171.2 | 44.7 | 0 | 0 | 0 | 0 | 110 | K29 | K29-T126 PolarHBondContact O-N 3.37Å; K29-T126 PolarHBondContact O-OG1 2.95Å; K29-T126 VanDerWaalsContact O-OG1 3.12Å | ||
| 127 | G | 63.9 | Low | 83.3 | Confident | 55 Ų | 55 | 52.3 Ų | 52.3 | 57% | 0.567 | 29% | 0.293 | S | S | * | . | S | Bend | trans | 149.8 | -170.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | K125 | K125-G127 WeakPolarHBondContact CE-O 3.48Å; K125-G127 PolarHBondContact NZ-O 3.43Å |
| 128 | S | 55.7 | Low | 83.1 | Confident | 118 Ų | 118 | 55.1 Ų | 55.1 | 83% | 0.825 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -101.1 | -7.2 | -169.7 | 62.1 | 0 | 0 | 0 | 0 | 116.9 | K125 | K125-S128 PolarHBondContact NZ-O 3.29Š|
| 129 | E | 57.3 | Low | 83 | Confident | 103 Ų | 103 | 62.2 Ų | 62.2 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | trans | -68.8 | 148.2 | -174.8 | -73.1 | -176.1 | -179.3 | 0 | 0 | 116.9 | K29 K125 S131 | K29-E129 VanDerWaalsContact NZ-CD 3.28Å; K29-E129 IonicContact NZ-OE1 3.53Å; K29-E129 PolarHBondContact NZ-OE1 2.82Å; K29-E129 VanDerWaalsContact NZ-OE1 3.17Å; K29-E129 IonicContact NZ-OE2 2.71Å; K29-E129 PolarHBondContact NZ-OE2 3.3Å; K125-E129 WeakPolarHBondContact CE-O 3.22Å; K125-E129 PolarHBondContact NZ-O 3.13Å; E129-S131 PolarHBondContact O-N 2.96Å | ||
| 130 | E | 55.7 | Low | 83 | Confident | 185 Ų | 185 | 65 Ų | 65 | 86% | 0.864 | 36% | 0.355 | S | S | * | . | trans | -83 | 2.2 | -169.3 | -66.7 | -179.9 | 156.8 | 0 | 0 | 116.7 | T132 | E130-T132 PolarHBondContact O-N 3.4Š| ||
| 131 | S | 60.2 | Low | 82.9 | Confident | 37 Ų | 37 | 71 Ų | 71 | 26% | 0.259 | 38% | 0.383 | S | S | . | . | trans | -65.2 | 113.9 | -175.6 | 57.6 | 0 | 0 | 0 | 0 | 111 | W123 E129 | W123-S131 WeakPolarHBondContact CZ3-O 3.14Å; E129-S131 PolarHBondContact O-N 2.96Å | ||
| 132 | T | 78.5 | Confident | 82.9 | Confident | 67 Ų | 67 | 72 Ų | 72 | 41% | 0.411 | 39% | 0.388 | S | S | . | . | trans | -98.1 | 143.6 | 176.6 | 59.8 | 0 | 0 | 0 | 0 | 109.3 | E130 M134 S135 Y136 | E130-T132 PolarHBondContact O-N 3.4Å; T132-M134 PolarHBondContact O-N 3.32Å; T132-M134 VanDerWaalsContact O-N 3.14Å; T132-S135 PolarHBondContact O-N 3.28Å; T132-S135 PolarHBondContact O-OG 3.49Å; T132-S135 PolarHBondContact OG1-N 2.88Å; T132-S135 PolarHBondContact OG1-OG 2.85Å; T132-Y136 PolarHBondContact O-N 3.1Å | ||
| 133 | M | 88.9 | Confident | 83 | Confident | 2 Ų | 2 | 76.9 Ų | 76.9 | 1% | 0.01 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -52 | -36 | 171.5 | -79.3 | -155.9 | -172 | 0 | 0 | 111.5 | Y7 F26 L121 W123 S135 Y136 F137 I142 | Y7-M133 HydrophobicContact CD1-CB 4.35Å; Y7-M133 HydrophobicContact CD2-CB 3.8Å; Y7-M133 HydrophobicContact CD2-CG 4Å; Y7-M133 HydrophobicContact CD2-SD 3.4Å; Y7-M133 WeakPolarHBondContact CD2-SD 3.07Å; Y7-M133 HydrophobicContact CE1-CB 4.35Å; Y7-M133 HydrophobicContact CE2-CB 3.8Å; Y7-M133 HydrophobicContact CE2-CG 4Å; Y7-M133 HydrophobicContact CE2-SD 3.94Å; Y7-M133 HydrophobicContact CG-CB 4.07Å; Y7-M133 HydrophobicContact CG-SD 4.12Å; F26-M133 HydrophobicContact CE1-CG 3.87Å; F26-M133 HydrophobicContact CZ-CG 4.25Å; L121-M133 HydrophobicContact CB-CE 3.87Å; L121-M133 HydrophobicContact CB-SD 3.47Å; L121-M133 WeakPolarHBondContact CB-SD 3.49Å; L121-M133 HydrophobicContact CD1-SD 4.15Å; L121-M133 HydrophobicContact CG-SD 4.39Å; W123-M133 HydrophobicContact CB-CE 3.39Å; M133-S135 PolarHBondContact O-N 2.79Å; M133-Y136 PolarHBondContact O-N 2.99Å; M133-F137 PolarHBondContact O-N 3.43Å; M133-I142 HydrophobicContact CB-CD1 4.31Å |
| 134 | M | 91.3 | Very high | 83.1 | Confident | 62 Ų | 62 | 79.7 Ų | 79.7 | 31% | 0.305 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -52.4 | -51 | 173.9 | -68.8 | -59.4 | -65.4 | 0 | 0 | 112.7 | Y7 T132 S138 I142 E144 | Y7-M134 HydrophobicContact CD1-CG 4.02Å; Y7-M134 HydrophobicContact CD1-SD 3.65Å; Y7-M134 HydrophobicContact CE1-CG 3.57Å; Y7-M134 HydrophobicContact CE1-SD 3.82Å; T132-M134 PolarHBondContact O-N 3.32Å; T132-M134 VanDerWaalsContact O-N 3.14Å; M134-S138 WeakPolarHBondContact O-CA 3.12Å; M134-S138 PolarHBondContact O-N 2.75Å; M134-S138 VanDerWaalsContact O-N 3.14Å; M134-I142 HydrophobicContact CE-CG2 3.95Å; M134-I142 HydrophobicContact SD-CB 4.43Å; M134-I142 HydrophobicContact SD-CD1 3.87Å; M134-I142 HydrophobicContact SD-CG1 3.66Å; M134-I142 HydrophobicContact SD-CG2 4.01Å; M134-E144 HydrophobicContact SD-CB 4.03Å |
| 135 | S | 92 | Very high | 83.4 | Confident | 65 Ų | 65 | 80 Ų | 80 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 178.9 | 61.2 | 0 | 0 | 0 | 0 | 112.7 | T132 M133 S138 | T132-S135 PolarHBondContact O-N 3.28Å; T132-S135 PolarHBondContact O-OG 3.49Å; T132-S135 PolarHBondContact OG1-N 2.88Å; T132-S135 PolarHBondContact OG1-OG 2.85Å; M133-S135 PolarHBondContact O-N 2.79Å; S135-S138 VanDerWaalsContact O-CB 3.3Å; S135-S138 WeakPolarHBondContact O-CB 3.24Å; S135-S138 PolarHBondContact O-N 2.82Å; S135-S138 PolarHBondContact O-OG 3.01Å |
| 136 | Y | 93.4 | Very high | 83.9 | Confident | 58 Ų | 58 | 81.2 Ų | 81.2 | 23% | 0.227 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.3 | -45 | -175.7 | -172.8 | -88.3 | 0 | 0 | 0 | 111.5 | T19 E21 F22 F26 T132 M133 S138 | T19-Y136 PolarHBondContact OG1-OH 3.01Å; T19-Y136 VanDerWaalsContact OG1-OH 3.05Å; E21-Y136 HydrophobicContact CB-CE2 4.32Å; F22-Y136 WeakPolarHBondContact CA-OH 2.88Å; F22-Y136 HydrophobicContact CB-CE1 4.43Å; F22-Y136 WeakPolarHBondContact CB-OH 3.37Å; F22-Y136 AromaticContact CD2-CE1 3.96Å; F22-Y136 HydrophobicContact CD2-CE1 3.96Å; F22-Y136 PolarHBondContact N-OH 2.71Å; F22-Y136 VanDerWaalsContact N-OH 3.13Å; F26-Y136 AromaticContact CE2-CD1 3.72Å; F26-Y136 HydrophobicContact CE2-CD1 3.72Å; F26-Y136 AromaticContact CE2-CD2 3.66Å; F26-Y136 HydrophobicContact CE2-CD2 3.66Å; F26-Y136 HydrophobicContact CE2-CE1 4.15Å; F26-Y136 HydrophobicContact CE2-CE2 4.09Å; F26-Y136 AromaticContact CE2-CG 3.47Å; F26-Y136 HydrophobicContact CE2-CG 3.47Å; F26-Y136 VanDerWaalsContact CE2-CG 3.47Å; F26-Y136 HydrophobicContact CZ-CD1 4.34Å; F26-Y136 HydrophobicContact CZ-CD2 4.18Å; F26-Y136 AromaticContact CZ-CG 3.83Å; F26-Y136 HydrophobicContact CZ-CG 3.83Å; T132-Y136 PolarHBondContact O-N 3.1Å; M133-Y136 PolarHBondContact O-N 2.99Å; Y136-S138 VanDerWaalsContact C-N 3.34Å |
| 137 | F | 95.3 | Very high | 85.1 | Confident | 1 Ų | 1 | 76.8 Ų | 76.8 | 0% | 0.004 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 20.5 | 178.7 | -63.6 | -68.2 | 0 | 0 | 0 | 113.5 | V9 L12 E16 L17 F22 L121 M133 K139 Y140 I142 | V9-F137 HydrophobicContact CG2-CB 4.41Å; V9-F137 HydrophobicContact CG2-CD2 4.47Å; V9-F137 HydrophobicContact CG2-CG 4.45Å; L12-F137 HydrophobicContact CD1-CD1 3.71Å; L12-F137 HydrophobicContact CD1-CE1 3.69Å; L12-F137 HydrophobicContact CD2-CD1 4.44Å; L12-F137 HydrophobicContact CD2-CE1 3.92Å; L12-F137 HydrophobicContact CD2-CZ 4.3Å; L12-F137 HydrophobicContact CG-CE1 4.47Å; E16-F137 HydrophobicContact CB-CE1 4.47Å; L17-F137 HydrophobicContact CD2-CZ 4.24Å; F22-F137 HydrophobicContact CD2-CZ 4.01Å; F22-F137 HydrophobicContact CE2-CE2 4.37Å; F22-F137 AromaticContact CE2-CZ 3.86Å; F22-F137 HydrophobicContact CE2-CZ 3.86Å; L121-F137 HydrophobicContact CD1-CD2 4.06Å; L121-F137 HydrophobicContact CD1-CE2 3.7Å; L121-F137 HydrophobicContact CD1-CZ 4.23Å; M133-F137 PolarHBondContact O-N 3.43Å; F137-K139 PolarHBondContact O-N 3.02Å; F137-K139 VanDerWaalsContact O-N 3.08Å; F137-Y140 HydrophobicContact CB-CD2 4.37Å; F137-Y140 HydrophobicContact CD1-CD2 4.03Å; F137-Y140 HydrophobicContact CD1-CE2 4.42Å; F137-Y140 WeakPolarHBondContact O-CA 3.35Å; F137-Y140 WeakPolarHBondContact O-CB 3.47Å; F137-Y140 PolarHBondContact O-N 2.75Å; F137-I142 HydrophobicContact CB-CB 4.39Å; F137-I142 HydrophobicContact CB-CD1 3.89Å; F137-I142 HydrophobicContact CD2-CD1 4.31Å |
| 138 | S | 94.2 | Very high | 86.6 | Confident | 83 Ų | 83 | 81.4 Ų | 81.4 | 58% | 0.58 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -21.3 | -178.3 | 55.7 | 0 | 0 | 0 | 0 | 114.7 | M134 S135 Y136 Y140 | M134-S138 WeakPolarHBondContact O-CA 3.12Å; M134-S138 PolarHBondContact O-N 2.75Å; M134-S138 VanDerWaalsContact O-N 3.14Å; S135-S138 VanDerWaalsContact O-CB 3.3Å; S135-S138 WeakPolarHBondContact O-CB 3.24Å; S135-S138 PolarHBondContact O-N 2.82Å; S135-S138 PolarHBondContact O-OG 3.01Å; Y136-S138 VanDerWaalsContact C-N 3.34Å; S138-Y140 PolarHBondContact O-N 3.21Å |
| 139 | K | 95.7 | Very high | 88.5 | Confident | 188 Ų | 188 | 79.7 Ų | 79.7 | 82% | 0.817 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -15.8 | 173.1 | -62.5 | 177.8 | -175.7 | 170.8 | 0 | 113.1 | F137 | F137-K139 PolarHBondContact O-N 3.02Å; F137-K139 VanDerWaalsContact O-N 3.08Å |
| 140 | Y | 96.2 | Very high | 90.3 | Very high | 60 Ų | 60 | 77 Ų | 77 | 24% | 0.235 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -109.4 | 167.2 | -177.5 | -61.4 | -77.1 | 0 | 0 | 0 | 110.7 | V9 L12 P13 E16 F137 S138 I142 | V9-Y140 HydrophobicContact CG1-CG 4.46Å; L12-Y140 HydrophobicContact CD1-CD1 4.35Å; L12-Y140 HydrophobicContact CD1-CD2 3.83Å; L12-Y140 HydrophobicContact CD1-CE1 4.33Å; L12-Y140 HydrophobicContact CD1-CE2 3.79Å; L12-Y140 HydrophobicContact CD1-CG 4.13Å; P13-Y140 HydrophobicContact CG-CE1 4.08Å; E16-Y140 HydrophobicContact CG-CE2 4.11Å; E16-Y140 WeakPolarHBondContact CG-OH 3.11Å; E16-Y140 PolarHBondContact OE1-OH 3.18Å; F137-Y140 HydrophobicContact CB-CD2 4.37Å; F137-Y140 HydrophobicContact CD1-CD2 4.03Å; F137-Y140 HydrophobicContact CD1-CE2 4.42Å; F137-Y140 WeakPolarHBondContact O-CA 3.35Å; F137-Y140 WeakPolarHBondContact O-CB 3.47Å; F137-Y140 PolarHBondContact O-N 2.75Å; S138-Y140 PolarHBondContact O-N 3.21Å; Y140-I142 VanDerWaalsContact C-N 3.3Å; Y140-I142 PolarHBondContact O-N 2.98Å |
| 141 | Q | 95.9 | Very high | 92.2 | Very high | 134 Ų | 134 | 74.9 Ų | 74.9 | 63% | 0.626 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 86.5 | 172.1 | -67.4 | -178.8 | -3.2 | 0 | 0 | 108.9 | V9 K10 | V9-Q141 WeakPolarHBondContact CA-O 3.03Å; K10-Q141 HydrophobicContact CB-CB 4.01Å; K10-Q141 PolarHBondContact N-O 3.17Å |
| 142 | I | 96.9 | Very high | 93.9 | Very high | 23 Ų | 23 | 75.4 Ų | 75.4 | 12% | 0.118 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 137.9 | 174.6 | -174.7 | 163.2 | 0 | 0 | 0 | 110.9 | Y7 F8 V9 M133 M134 F137 Y140 | Y7-I142 HydrophobicContact CD1-CD1 4.07Å; Y7-I142 HydrophobicContact CD1-CG1 4.37Å; Y7-I142 HydrophobicContact CG-CD1 4.21Å; F8-I142 CarbonylContact O-C 3.48Å; F8-I142 VanDerWaalsContact O-CA 3.31Å; F8-I142 WeakPolarHBondContact O-CA 2.88Å; V9-I142 HydrophobicContact CG2-CB 4.02Å; V9-I142 HydrophobicContact CG2-CD1 3.71Å; V9-I142 HydrophobicContact CG2-CG1 3.72Å; M133-I142 HydrophobicContact CB-CD1 4.31Å; M134-I142 HydrophobicContact CE-CG2 3.95Å; M134-I142 HydrophobicContact SD-CB 4.43Å; M134-I142 HydrophobicContact SD-CD1 3.87Å; M134-I142 HydrophobicContact SD-CG1 3.66Å; M134-I142 HydrophobicContact SD-CG2 4.01Å; F137-I142 HydrophobicContact CB-CB 4.39Å; F137-I142 HydrophobicContact CB-CD1 3.89Å; F137-I142 HydrophobicContact CD2-CD1 4.31Å; Y140-I142 VanDerWaalsContact C-N 3.3Å; Y140-I142 PolarHBondContact O-N 2.98Å |
| 143 | Q | 96.4 | Very high | 94.7 | Very high | 104 Ų | 104 | 75.7 Ų | 75.7 | 49% | 0.486 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.8 | 174.1 | -63.4 | 178.9 | -4.3 | 0 | 0 | 109.3 | Y7 F8 H145 | Y7-Q143 CarbonylContact C-O 3.52Å; Y7-Q143 VanDerWaalsContact CA-O 3.27Å; Y7-Q143 WeakPolarHBondContact CA-O 3.04Å; F8-Q143 PolarHBondContact N-O 3.11Å; F8-Q143 PolarHBondContact O-N 2.95Å; Q143-H145 WeakPolarHBondContact CB-NE2 3.49Å; Q143-H145 PolarHBondContact O-CD2 3.32Å; Q143-H145 PolarHBondContact OE1-NE2 3.37Å |
| 144 | E | 95.5 | Very high | 94.9 | Very high | 98 Ų | 98 | 77.3 Ų | 77.3 | 46% | 0.458 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 135 | 168.9 | -173 | -179.9 | 127.3 | 0 | 0 | 109.9 | P5 Y7 M134 Q146 | P5-E144 HydrophobicContact CB-CG 3.66Å; Y7-E144 HydrophobicContact CD1-CB 3.9Å; Y7-E144 HydrophobicContact CD1-CG 4.04Å; Y7-E144 HydrophobicContact CE1-CB 3.84Å; Y7-E144 HydrophobicContact CE1-CG 3.64Å; M134-E144 HydrophobicContact SD-CB 4.03Å; E144-Q146 PolarHBondContact OE1-NE2 3.47Å |
| 145 | H | 95 | Very high | 95 | Very high | 64 Ų | 64 | 83.3 Ų | 83.3 | 30% | 0.296 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 150.3 | 177 | -68.1 | -85.2 | 0 | 0 | 0 | 110.1 | P5 Y6 Q143 | P5-H145 WeakPolarHBondContact CA-O 3.44Å; Y6-H145 HydrophobicContact CD1-CB 4.25Å; Y6-H145 HydrophobicContact CD2-CB 4.04Å; Y6-H145 HydrophobicContact CE1-CB 3.76Å; Y6-H145 HydrophobicContact CE2-CB 3.53Å; Y6-H145 HydrophobicContact CG-CB 4.37Å; Y6-H145 PolarHBondContact N-O 3.09Å; Y6-H145 PolarHBondContact O-N 3.27Å; Y6-H145 VanDerWaalsContact O-O 3.09Å; Q143-H145 WeakPolarHBondContact CB-NE2 3.49Å; Q143-H145 PolarHBondContact O-CD2 3.32Å; Q143-H145 PolarHBondContact OE1-NE2 3.37Å |
| 146 | Q | 94.1 | Very high | 95 | Very high | 96 Ų | 96 | 85.8 Ų | 85.8 | 45% | 0.449 | 43% | 0.426 | S | S | . | . | trans | -108.7 | 139.7 | 171.5 | -65.6 | -65 | -27.3 | 0 | 0 | 108.8 | E144 K148 | E144-Q146 PolarHBondContact OE1-NE2 3.47Å; Q146-K148 PolarHBondContact O-N 3.26Å | ||
| 147 | P | 94.9 | Very high | 94.9 | Very high | 10 Ų | 10 | 84.1 Ų | 84.1 | 7% | 0.065 | 42% | 0.421 | C | S | . | . | trans | -54.9 | 131.2 | 173.5 | -28.6 | 37.7 | 0 | 0 | 0 | 111.1 | T3 G4 Y6 V149 I221 T222 | T3-P147 WeakPolarHBondContact OG1-CD 3.42Å; T3-P147 WeakPolarHBondContact OG1-CG 3.29Å; G4-P147 WeakPolarHBondContact O-CD 3.37Å; Y6-P147 HydrophobicContact CD1-CG 4Å; Y6-P147 HydrophobicContact CE1-CG 4.08Å; P147-V149 PolarHBondContact O-N 3.03Å; P147-I221 HydrophobicContact CB-CG2 3.85Å; P147-T222 CarbonylContact C-O 3.48Å; P147-T222 WeakPolarHBondContact CA-O 3.44Å | ||
| 148 | K | 95.9 | Very high | 94.8 | Very high | 152 Ų | 152 | 87.9 Ų | 87.9 | 66% | 0.661 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 126.9 | 178.2 | -178.6 | -177.9 | 176.6 | -174.4 | 0 | 108.8 | Q146 I221 T222 | Q146-K148 PolarHBondContact O-N 3.26Å; K148-I221 CarbonylContact O-C 3.52Å; K148-I221 WeakPolarHBondContact O-CA 3.44Å; K148-T222 PolarHBondContact N-O 2.58Å; K148-T222 PolarHBondContact O-N 3.07Å |
| 149 | V | 95.3 | Very high | 94.8 | Very high | 81 Ų | 81 | 84.5 Ų | 84.5 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.6 | 174.5 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | P147 L151 T220 I221 | P147-V149 PolarHBondContact O-N 3.03Å; V149-L151 HydrophobicContact CG1-CG 4.4Å; V149-T220 WeakPolarHBondContact CA-O 3.5Å; V149-I221 HydrophobicContact CG2-CG1 4.41Å; V149-I221 HydrophobicContact CG2-CG2 4.41Å |
| 150 | A | 95.4 | Very high | 94.8 | Very high | 46 Ų | 46 | 75.6 Ų | 75.6 | 38% | 0.38 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | C219 T220 | A150-C219 WeakPolarHBondContact O-CA 3.37Å; A150-T220 PolarHBondContact N-O 3.19Å; A150-T220 PolarHBondContact O-N 3.22Å |
| 151 | L | 95.8 | Very high | 94.7 | Very high | 142 Ų | 142 | 74.9 Ų | 74.9 | 74% | 0.743 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.2 | 177.8 | -66.6 | 172 | 0 | 0 | 0 | 109 | V149 C219 | V149-L151 HydrophobicContact CG1-CG 4.4Å; L151-C219 HydrophobicContact CD2-CB 3.65Å; L151-C219 VanDerWaalsContact CD2-SG 3.53Å |
| 152 | S | 94.6 | Very high | 94.7 | Very high | 47 Ų | 47 | 69.6 Ų | 69.6 | 33% | 0.329 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 147.7 | 172.9 | 61.7 | 0 | 0 | 0 | 0 | 110.5 | L218 | S152-L218 PolarHBondContact N-O 3.29Å; S152-L218 PolarHBondContact O-N 2.96Å; S152-L218 WeakPolarHBondContact OG-CB 3.41Å; S152-L218 PolarHBondContact OG-O 3.23Å |
| 153 | T | 95.3 | Very high | 94.6 | Very high | 73 Ų | 73 | 72.1 Ų | 72.1 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 113.8 | 174.3 | -56.4 | 0 | 0 | 0 | 0 | 107.9 | A216 Y217 | T153-A216 CarbonylContact C-O 3.47Å; T153-A216 WeakPolarHBondContact CA-O 3.34Å; T153-Y217 HydrophobicContact CG2-CD1 4.29Å; T153-Y217 HydrophobicContact CG2-CE1 3.99Å |
| 154 | L | 93.2 | Very high | 94.5 | Very high | 37 Ų | 37 | 68.3 Ų | 68.3 | 19% | 0.194 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 138.3 | 174.8 | -53.7 | 175.4 | 0 | 0 | 0 | 108 | L157 V187 K215 A216 | L154-L157 HydrophobicContact CB-CD2 4.4Å; L154-L157 HydrophobicContact CD1-CD2 3.98Å; L154-V187 HydrophobicContact CD1-CG1 3.45Å; L154-V187 VanDerWaalsContact CD1-CG1 3.45Å; L154-K215 CarbonylContact O-C 3.57Å; L154-K215 VanDerWaalsContact O-CA 3.3Å; L154-K215 WeakPolarHBondContact O-CA 3.3Å; L154-A216 HydrophobicContact CB-CB 4.31Å; L154-A216 PolarHBondContact N-O 3.35Å; L154-A216 PolarHBondContact O-N 2.98Å |
| 155 | R | 93.4 | Very high | 94.4 | Very high | 187 Ų | 187 | 67.7 Ų | 67.7 | 71% | 0.706 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 148 | 179.9 | -63.1 | -173.6 | -174.8 | -170.2 | 3.1 | 109.7 | L157 A214 | R155-L157 PolarHBondContact O-N 3.12Å; R155-L157 VanDerWaalsContact O-N 3.16Å; R155-A214 WeakPolarHBondContact CA-O 3.43Å |
| 156 | D | 92.6 | Very high | 94.2 | Very high | 117 Ų | 117 | 68.4 Ų | 68.4 | 63% | 0.626 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50 | 41.8 | 176.2 | -51.7 | -49 | 0 | 0 | 0 | 112.1 | V212 V213 A214 | D156-V212 HydrophobicContact CB-CG1 4.18Å; D156-V213 CarbonylContact C-O 3.59Å; D156-V213 WeakPolarHBondContact CA-O 3.37Å; D156-V213 PolarHBondContact N-O 2.98Å; D156-A214 PolarHBondContact N-O 3.05Å |
| 157 | L | 92.3 | Very high | 94.1 | Very high | 24 Ų | 24 | 68.4 Ų | 68.4 | 13% | 0.126 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 123.6 | -174.7 | 179.1 | 65.4 | 0 | 0 | 0 | 109.6 | L154 R155 C159 W183 V187 V213 A216 | L154-L157 HydrophobicContact CB-CD2 4.4Å; L154-L157 HydrophobicContact CD1-CD2 3.98Å; R155-L157 PolarHBondContact O-N 3.12Å; R155-L157 VanDerWaalsContact O-N 3.16Å; L157-C159 PolarHBondContact O-N 2.57Å; L157-W183 HydrophobicContact CD1-CZ2 4.19Å; L157-W183 HydrophobicContact CD2-CH2 3.9Å; L157-W183 HydrophobicContact CD2-CZ2 3.8Å; L157-W183 HydrophobicContact CG-CZ2 3.95Å; L157-V187 HydrophobicContact CD1-CG2 4.25Å; L157-V213 PolarHBondContact N-O 2.9Å; L157-V213 PolarHBondContact O-N 2.82Å; L157-A216 HydrophobicContact CD2-CB 3.76Å |
| 158 | Q | 93.3 | Very high | 94.1 | Very high | 79 Ų | 79 | 74 Ų | 74 | 37% | 0.369 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 118.6 | 167.2 | -69.1 | -66.3 | -1.8 | 0 | 0 | 109.4 | W183 C206 V212 | Q158-W183 WeakPolarHBondContact O-CZ2 3.35Å; Q158-W183 PolarHBondContact O-NE1 3.45Å; Q158-C206 HydrophobicContact CB-CB 3.77Å; Q158-C206 PolarHBondContact O-SG 3.35Å; Q158-V212 VanDerWaalsContact CD-CG2 3.49Å |
| 159 | C | 93.7 | Very high | 93.8 | Very high | 12 Ų | 12 | 67.3 Ų | 67.3 | 8% | 0.081 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 125.8 | -169.6 | -167.6 | 0 | 0 | 0 | 0 | 110.2 | L157 W183 S210 T211 V213 W249 | L157-C159 PolarHBondContact O-N 2.57Å; C159-W183 HydrophobicContact CB-CH2 4.49Å; C159-W183 HydrophobicContact CB-CZ2 4.37Å; C159-S210 CarbonylContact O-C 3.56Å; C159-S210 WeakPolarHBondContact O-CA 3.37Å; C159-T211 WeakPolarHBondContact CB-O 3.36Å; C159-T211 PolarHBondContact N-O 3.13Å; C159-T211 PolarHBondContact O-N 2.89Å; C159-V213 HydrophobicContact CB-CB 4.33Å; C159-V213 HydrophobicContact CB-CG2 3.53Å; C159-W249 WeakPolarHBondContact SG-CZ2 3.42Å |
| 160 | P | 95.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.013 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 140.4 | 178.6 | -23.5 | 33.1 | 0 | 0 | 0 | 112.3 | L162 C175 L180 W183 P207 | P160-L162 HydrophobicContact CB-CD2 4.35Å; P160-C175 HydrophobicContact CB-CB 3.62Å; P160-L180 HydrophobicContact CG-CD1 4.3Å; P160-W183 HydrophobicContact CG-CB 4.46Å; P160-W183 HydrophobicContact CG-CD2 3.93Å; P160-W183 HydrophobicContact CG-CE3 4.32Å; P160-W183 HydrophobicContact CG-CG 3.99Å; P160-P207 HydrophobicContact CB-CB 4.49Å; P160-P207 HydrophobicContact CG-CB 4.24Å; P160-P207 HydrophobicContact CG-CG 4.14Å |
| 161 | V | 95.4 | Very high | 93.5 | Very high | 45 Ų | 45 | 69 Ų | 69 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | trans | -81.8 | 126.3 | 174 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | S174 C175 P209 T211 | V161-S174 CarbonylContact O-C 3.57Å; V161-S174 WeakPolarHBondContact O-CA 3.48Å; V161-C175 WeakPolarHBondContact O-CB 3.17Å; V161-C175 PolarHBondContact O-N 2.88Å; V161-P209 HydrophobicContact CB-CG 4.18Å; V161-P209 HydrophobicContact CG2-CB 4.49Å; V161-P209 PolarHBondContact N-O 2.6Å; V161-T211 HydrophobicContact CG2-CG2 3.62Å | ||
| 162 | L | 95.9 | Very high | 93.2 | Very high | 22 Ų | 22 | 71.2 Ų | 71.2 | 12% | 0.115 | 38% | 0.377 | C | S | . | . | trans | -116.5 | 149.4 | -176.7 | -54.1 | -178.5 | 0 | 0 | 0 | 111 | P160 C175 L180 W249 V282 F284 W290 | P160-L162 HydrophobicContact CB-CD2 4.35Å; L162-C175 HydrophobicContact CD2-CB 3.99Å; L162-L180 HydrophobicContact CD1-CD1 4.1Å; L162-L180 HydrophobicContact CD1-CD2 3.42Å; L162-L180 VanDerWaalsContact CD1-CD2 3.42Å; L162-L180 HydrophobicContact CD1-CG 4.36Å; L162-L180 HydrophobicContact CD2-CB 4.34Å; L162-L180 HydrophobicContact CD2-CD1 4.22Å; L162-L180 HydrophobicContact CD2-CD2 3.94Å; L162-L180 HydrophobicContact CD2-CG 4.39Å; L162-L180 HydrophobicContact CG-CD2 4.33Å; L162-W249 HydrophobicContact CD1-CD2 4.05Å; L162-W249 HydrophobicContact CD1-CG 4.05Å; L162-W249 HydrophobicContact CD1-CZ2 4.23Å; L162-V282 HydrophobicContact CD1-CG1 4.07Å; L162-F284 HydrophobicContact CB-CE1 3.69Å; L162-F284 HydrophobicContact CB-CZ 4.23Å; L162-F284 HydrophobicContact CD1-CE1 4.17Å; L162-F284 HydrophobicContact CD1-CZ 4.29Å; L162-W290 HydrophobicContact CB-CH2 4.26Å; L162-W290 HydrophobicContact CD1-CZ3 4.18Å; L162-W290 HydrophobicContact CD2-CH2 4Å; L162-W290 HydrophobicContact CD2-CZ3 3.92Å; L162-W290 HydrophobicContact CG-CZ3 4.46Å | ||
| 163 | Q | 94.6 | Very high | 93.1 | Very high | 77 Ų | 77 | 72 Ų | 72 | 36% | 0.36 | 38% | 0.38 | S | S | . | . | trans | -125.9 | 122.1 | 168.1 | -75.3 | -172.2 | -0.6 | 0 | 0 | 109.2 | S165 E166 W290 | Q163-S165 PolarHBondContact O-N 3.17Å; Q163-S165 VanDerWaalsContact O-N 3.1Å; Q163-E166 HydrophobicContact CB-CB 4.28Å; Q163-E166 HydrophobicContact CB-CG 4.34Å; Q163-E166 PolarHBondContact O-N 3.45Å; Q163-W290 WeakPolarHBondContact O-CZ2 3.4Å | ||
| 164 | S | 93.8 | Very high | 93 | Very high | 23 Ų | 23 | 68.8 Ų | 68.8 | 16% | 0.161 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -32.5 | -170.7 | 65.7 | 0 | 0 | 0 | 0 | 114.2 | N286 D288 W290 | S164-N286 PolarHBondContact OG-ND2 3.33Å; S164-D288 WeakPolarHBondContact CB-OD2 3.12Å; S164-D288 PolarHBondContact OG-OD2 3.26Å; S164-W290 PolarHBondContact O-NE1 3.29Å |
| 165 | S | 92.8 | Very high | 93.1 | Very high | 86 Ų | 86 | 67 Ų | 67 | 60% | 0.601 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -12 | -179.1 | 56.6 | 0 | 0 | 0 | 0 | 114.7 | Q163 | Q163-S165 PolarHBondContact O-N 3.17Å; Q163-S165 VanDerWaalsContact O-N 3.1Å |
| 166 | E | 92.1 | Very high | 93.2 | Very high | 79 Ų | 79 | 63.1 Ų | 63.1 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | trans | -120.7 | 81.3 | -167.6 | -59.8 | -60.3 | 159.4 | 0 | 0 | 112.1 | Q163 E168 G169 | Q163-E166 HydrophobicContact CB-CB 4.28Å; Q163-E166 HydrophobicContact CB-CG 4.34Å; Q163-E166 PolarHBondContact O-N 3.45Å; E166-E168 VanDerWaalsContact C-N 3.33Å; E166-E168 PolarHBondContact O-N 3.46Å; E166-G169 PolarHBondContact O-N 2.96Å; E166-G169 VanDerWaalsContact O-N 3.16Å | ||
| 167 | L | 91.8 | Very high | 93.2 | Very high | 95 Ų | 95 | 58.1 Ų | 58.1 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -38 | 179.4 | -79.8 | 161.3 | 0 | 0 | 0 | 113.6 | G169 A177 W290 | L167-G169 PolarHBondContact O-N 2.87Å; L167-A177 HydrophobicContact CD2-CB 3.97Å; L167-A177 WeakPolarHBondContact O-CB 3.39Å; L167-A177 PolarHBondContact O-N 3.38Å; L167-W290 HydrophobicContact CD2-CB 4.19Å; L167-W290 HydrophobicContact CD2-CD2 3.82Å; L167-W290 HydrophobicContact CD2-CG 3.63Å |
| 168 | E | 93.4 | Very high | 93.2 | Very high | 127 Ų | 127 | 62.4 Ų | 62.4 | 59% | 0.593 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 0.1 | 179.8 | -71.1 | -60.8 | 156.8 | 0 | 0 | 113.1 | E166 R176 | E166-E168 VanDerWaalsContact C-N 3.33Å; E166-E168 PolarHBondContact O-N 3.46Å; E168-R176 WeakPolarHBondContact O-CG 3.44Å; E168-R176 PolarHBondContact O-NE 3.1Å; E168-R176 IonicContact OE2-CZ 3.19Å; E168-R176 IonicContact OE2-NE 3.7Å; E168-R176 IonicContact OE2-NH2 3.65Å; E168-R176 PolarHBondContact OE2-NH2 3.11Å |
| 169 | G | 90.9 | Very high | 93.2 | Very high | 13 Ų | 13 | 62 Ų | 62 | 13% | 0.134 | 33% | 0.331 | C | S | . | . | trans | 67.2 | 169 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E166 L167 S174 | E166-G169 PolarHBondContact O-N 2.96Å; E166-G169 VanDerWaalsContact O-N 3.16Å; L167-G169 PolarHBondContact O-N 2.87Å; G169-S174 WeakPolarHBondContact CA-O 3.39Å | ||
| 170 | T | 93.1 | Very high | 93.2 | Very high | 46 Ų | 46 | 61.4 Ų | 61.4 | 28% | 0.282 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -126.7 | 129.1 | 171.1 | -66.7 | 0 | 0 | 0 | 0 | 107.5 | E172 V173 S174 | T170-E172 PolarHBondContact O-N 3.16Å; T170-V173 HydrophobicContact CG2-CB 3.79Å; T170-V173 HydrophobicContact CG2-CG1 4.37Å; T170-V173 HydrophobicContact CG2-CG2 4Å; T170-V173 PolarHBondContact O-N 2.85Å; T170-S174 PolarHBondContact N-O 2.87Å; T170-S174 VanDerWaalsContact N-O 3.15Å; T170-S174 PolarHBondContact N-OG 2.86Å; T170-S174 PolarHBondContact O-N 2.97Å |
| 171 | P | 90 | Very high | 93.1 | Very high | 117 Ų | 117 | 63.3 Ų | 63.3 | 76% | 0.76 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | 130.7 | -179.1 | -28.1 | 34.6 | 0 | 0 | 0 | 111.8 | V173 | P171-V173 PolarHBondContact O-N 3.36Š|
| 172 | E | 90 | Very high | 92.9 | Very high | 188 Ų | 188 | 65.4 Ų | 65.4 | 88% | 0.879 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | -1.5 | -179.2 | -52.6 | 178.2 | 177.8 | 0 | 0 | 115.8 | T170 | T170-E172 PolarHBondContact O-N 3.16Š|
| 173 | V | 92.8 | Very high | 92.9 | Very high | 64 Ų | 64 | 64.6 Ų | 64.6 | 39% | 0.388 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -41.2 | -173 | 174.2 | 0 | 0 | 0 | 0 | 112.5 | T170 P171 P209 | T170-V173 HydrophobicContact CG2-CB 3.79Å; T170-V173 HydrophobicContact CG2-CG1 4.37Å; T170-V173 HydrophobicContact CG2-CG2 4Å; T170-V173 PolarHBondContact O-N 2.85Å; P171-V173 PolarHBondContact O-N 3.36Å; V173-P209 VanDerWaalsContact C-CG 3.41Å |
| 174 | S | 93.9 | Very high | 92.9 | Very high | 5 Ų | 5 | 62 Ų | 62 | 4% | 0.035 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -152.1 | 144.8 | 179.7 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | V161 G169 T170 | V161-S174 CarbonylContact O-C 3.57Å; V161-S174 WeakPolarHBondContact O-CA 3.48Å; G169-S174 WeakPolarHBondContact CA-O 3.39Å; T170-S174 PolarHBondContact N-O 2.87Å; T170-S174 VanDerWaalsContact N-O 3.15Å; T170-S174 PolarHBondContact N-OG 2.86Å; T170-S174 PolarHBondContact O-N 2.97Å |
| 175 | C | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -73 | 147.4 | 175.7 | 172 | 0 | 0 | 0 | 0 | 111.1 | P160 V161 L162 P207 | P160-C175 HydrophobicContact CB-CB 3.62Å; V161-C175 WeakPolarHBondContact O-CB 3.17Å; V161-C175 PolarHBondContact O-N 2.88Å; L162-C175 HydrophobicContact CD2-CB 3.99Å; C175-P207 HydrophobicContact CB-CB 4.46Å; C175-P207 WeakPolarHBondContact SG-CB 3.06Å | ||
| 176 | R | 94.7 | Very high | 92.8 | Very high | 105 Ų | 105 | 59 Ų | 59 | 40% | 0.396 | 31% | 0.314 | S | S | . | . | trans | -72.8 | 149.6 | 176.8 | -44.2 | -173.7 | 56.6 | -161.5 | -4.2 | 110.5 | E168 L178 E179 L180 | E168-R176 WeakPolarHBondContact O-CG 3.44Å; E168-R176 PolarHBondContact O-NE 3.1Å; E168-R176 IonicContact OE2-CZ 3.19Å; E168-R176 IonicContact OE2-NE 3.7Å; E168-R176 IonicContact OE2-NH2 3.65Å; E168-R176 PolarHBondContact OE2-NH2 3.11Å; R176-L178 VanDerWaalsContact C-N 3.31Å; R176-L178 PolarHBondContact O-N 2.96Å; R176-E179 HydrophobicContact CB-CB 4.42Å; R176-E179 HydrophobicContact CB-CG 4.18Å; R176-E179 HydrophobicContact CG-CG 4.48Å; R176-E179 WeakPolarHBondContact CG-OE2 3.48Å; R176-E179 PolarHBondContact O-N 3.17Å; R176-L180 PolarHBondContact O-N 2.91Å | ||
| 177 | A | 93.2 | Very high | 92.8 | Very high | 12 Ų | 12 | 56.2 Ų | 56.2 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L167 E179 L180 F181 W290 Q292 | L167-A177 HydrophobicContact CD2-CB 3.97Å; L167-A177 WeakPolarHBondContact O-CB 3.39Å; L167-A177 PolarHBondContact O-N 3.38Å; A177-E179 PolarHBondContact O-N 3.03Å; A177-L180 WeakPolarHBondContact O-CB 3.41Å; A177-L180 PolarHBondContact O-N 2.89Å; A177-F181 PolarHBondContact O-N 2.98Å; A177-W290 HydrophobicContact CB-CE3 3.95Å; A177-W290 HydrophobicContact CB-CH2 4.45Å; A177-W290 HydrophobicContact CB-CZ3 3.91Å; A177-Q292 VanDerWaalsContact C-NE2 3.26Å; A177-Q292 PolarHBondContact O-NE2 3.17Å |
| 178 | L | 91.6 | Very high | 92.8 | Very high | 114 Ų | 114 | 57.2 Ų | 57.2 | 60% | 0.597 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.9 | -43.5 | 179.5 | -174.4 | 65.1 | 0 | 0 | 0 | 112.3 | R176 L180 F181 D182 | R176-L178 VanDerWaalsContact C-N 3.31Å; R176-L178 PolarHBondContact O-N 2.96Å; L178-L180 VanDerWaalsContact C-N 3.33Å; L178-L180 PolarHBondContact O-N 3.44Å; L178-F181 WeakPolarHBondContact O-CB 3.47Å; L178-F181 PolarHBondContact O-N 3.5Å; L178-F181 VanDerWaalsContact O-N 3.14Å; L178-D182 PolarHBondContact O-N 3.01Å; L178-D182 VanDerWaalsContact O-N 3.15Å |
| 179 | E | 93.4 | Very high | 92.7 | Very high | 69 Ų | 69 | 55.1 Ų | 55.1 | 32% | 0.322 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.1 | -37 | 178.7 | -67.1 | 171.5 | 173 | 0 | 0 | 111.8 | R176 A177 F181 D182 W183 P207 | R176-E179 HydrophobicContact CB-CB 4.42Å; R176-E179 HydrophobicContact CB-CG 4.18Å; R176-E179 HydrophobicContact CG-CG 4.48Å; R176-E179 WeakPolarHBondContact CG-OE2 3.48Å; R176-E179 PolarHBondContact O-N 3.17Å; A177-E179 PolarHBondContact O-N 3.03Å; E179-F181 VanDerWaalsContact C-N 3.31Å; E179-F181 PolarHBondContact O-N 2.92Å; E179-D182 PolarHBondContact O-N 3.36Å; E179-W183 WeakPolarHBondContact O-CB 3.37Å; E179-W183 PolarHBondContact O-N 3.32Å; E179-P207 HydrophobicContact CB-CB 4Å; E179-P207 HydrophobicContact CB-CG 3.88Å |
| 180 | L | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.7 | -42 | 171.8 | 174.6 | 70.1 | 0 | 0 | 0 | 111.4 | P160 L162 R176 A177 L178 W183 L184 W249 V282 W290 | P160-L180 HydrophobicContact CG-CD1 4.3Å; L162-L180 HydrophobicContact CD1-CD1 4.1Å; L162-L180 HydrophobicContact CD1-CD2 3.42Å; L162-L180 VanDerWaalsContact CD1-CD2 3.42Å; L162-L180 HydrophobicContact CD1-CG 4.36Å; L162-L180 HydrophobicContact CD2-CB 4.34Å; L162-L180 HydrophobicContact CD2-CD1 4.22Å; L162-L180 HydrophobicContact CD2-CD2 3.94Å; L162-L180 HydrophobicContact CD2-CG 4.39Å; L162-L180 HydrophobicContact CG-CD2 4.33Å; R176-L180 PolarHBondContact O-N 2.91Å; A177-L180 WeakPolarHBondContact O-CB 3.41Å; A177-L180 PolarHBondContact O-N 2.89Å; L178-L180 VanDerWaalsContact C-N 3.33Å; L178-L180 PolarHBondContact O-N 3.44Å; L180-W183 HydrophobicContact CD1-CE3 3.87Å; L180-W183 HydrophobicContact CD1-CZ3 4.25Å; L180-W183 PolarHBondContact O-N 2.81Å; L180-L184 HydrophobicContact CD1-CG 4.4Å; L180-L184 HydrophobicContact CG-CD1 4.29Å; L180-L184 HydrophobicContact CG-CG 4.42Å; L180-L184 WeakPolarHBondContact O-CG 3.33Å; L180-L184 PolarHBondContact O-N 3.46Å; L180-W249 HydrophobicContact CD1-CZ2 4.44Å; L180-V282 HydrophobicContact CD2-CG1 4.42Å; L180-V282 HydrophobicContact CD2-CG2 3.8Å; L180-W290 HydrophobicContact CD2-CE3 4.06Å; L180-W290 HydrophobicContact CD2-CZ3 3.8Å |
| 181 | F | 92.4 | Very high | 92.3 | Very high | 43 Ų | 43 | 61.8 Ų | 61.8 | 19% | 0.189 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.7 | -43.6 | -179 | -168.6 | -108.2 | 0 | 0 | 0 | 111.6 | A177 L178 E179 W183 L184 G185 L278 N280 Q292 A294 | A177-F181 PolarHBondContact O-N 2.98Å; L178-F181 WeakPolarHBondContact O-CB 3.47Å; L178-F181 PolarHBondContact O-N 3.5Å; L178-F181 VanDerWaalsContact O-N 3.14Å; E179-F181 VanDerWaalsContact C-N 3.31Å; E179-F181 PolarHBondContact O-N 2.92Å; F181-W183 VanDerWaalsContact C-N 3.33Å; F181-W183 PolarHBondContact O-N 3.21Å; F181-L184 PolarHBondContact O-N 3.3Å; F181-G185 PolarHBondContact O-N 2.9Å; F181-G185 VanDerWaalsContact O-N 3.15Å; F181-L278 HydrophobicContact CE1-CD2 4.11Å; F181-L278 HydrophobicContact CE2-CD2 4.21Å; F181-L278 HydrophobicContact CE2-CG 4.39Å; F181-L278 HydrophobicContact CZ-CD2 3.39Å; F181-L278 HydrophobicContact CZ-CG 3.83Å; F181-N280 HydrophobicContact CD2-CB 4.09Å; F181-N280 HydrophobicContact CE2-CB 3.73Å; F181-Q292 HydrophobicContact CD2-CB 4.24Å; F181-Q292 HydrophobicContact CE2-CB 4.43Å; F181-A294 HydrophobicContact CE1-CB 4.41Å; F181-A294 HydrophobicContact CZ-CB 4.3Å |
| 182 | D | 91.6 | Very high | 91.9 | Very high | 88 Ų | 88 | 61.4 Ų | 61.4 | 47% | 0.471 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 172.8 | -69.6 | -18.5 | 0 | 0 | 0 | 111.4 | L178 E179 L184 G185 A186 Y204 | L178-D182 PolarHBondContact O-N 3.01Å; L178-D182 VanDerWaalsContact O-N 3.15Å; E179-D182 PolarHBondContact O-N 3.36Å; D182-L184 PolarHBondContact O-N 3.5Å; D182-G185 PolarHBondContact O-N 3.43Å; D182-A186 PolarHBondContact O-N 3.18Å; D182-Y204 HydrophobicContact CB-CE2 4.44Å; D182-Y204 WeakPolarHBondContact CB-OH 3.02Å |
| 183 | W | 94.8 | Very high | 91.5 | Very high | 5 Ų | 5 | 54 Ų | 54 | 2% | 0.019 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 178.7 | 174.8 | 88.6 | 0 | 0 | 0 | 112.2 | L157 Q158 C159 P160 E179 L180 F181 G185 A186 V187 Y204 P207 W249 | L157-W183 HydrophobicContact CD1-CZ2 4.19Å; L157-W183 HydrophobicContact CD2-CH2 3.9Å; L157-W183 HydrophobicContact CD2-CZ2 3.8Å; L157-W183 HydrophobicContact CG-CZ2 3.95Å; Q158-W183 WeakPolarHBondContact O-CZ2 3.35Å; Q158-W183 PolarHBondContact O-NE1 3.45Å; C159-W183 HydrophobicContact CB-CH2 4.49Å; C159-W183 HydrophobicContact CB-CZ2 4.37Å; P160-W183 HydrophobicContact CG-CB 4.46Å; P160-W183 HydrophobicContact CG-CD2 3.93Å; P160-W183 HydrophobicContact CG-CE3 4.32Å; P160-W183 HydrophobicContact CG-CG 3.99Å; E179-W183 WeakPolarHBondContact O-CB 3.37Å; E179-W183 PolarHBondContact O-N 3.32Å; L180-W183 HydrophobicContact CD1-CE3 3.87Å; L180-W183 HydrophobicContact CD1-CZ3 4.25Å; L180-W183 PolarHBondContact O-N 2.81Å; F181-W183 VanDerWaalsContact C-N 3.33Å; F181-W183 PolarHBondContact O-N 3.21Å; W183-G185 VanDerWaalsContact C-N 3.31Å; W183-G185 PolarHBondContact O-N 2.87Å; W183-A186 WeakPolarHBondContact O-CB 3.31Å; W183-A186 PolarHBondContact O-N 2.95Å; W183-V187 HydrophobicContact CD2-CG2 3.86Å; W183-V187 VanDerWaalsContact CE2-CG2 3.49Å; W183-V187 HydrophobicContact CE3-CG2 4.21Å; W183-V187 HydrophobicContact CG-CG2 4.47Å; W183-V187 HydrophobicContact CH2-CG2 3.94Å; W183-V187 HydrophobicContact CZ2-CG2 3.55Å; W183-V187 HydrophobicContact CZ3-CG2 4.24Å; W183-V187 WeakPolarHBondContact O-CG2 3.42Å; W183-V187 PolarHBondContact O-N 3.44Å; W183-Y204 WeakPolarHBondContact CA-OH 3.33Å; W183-Y204 HydrophobicContact CB-CE1 4.47Å; W183-Y204 PolarHBondContact N-OH 3.12Å; W183-P207 HydrophobicContact CB-CG 4.04Å; W183-W249 HydrophobicContact CH2-CH2 4.32Å; W183-W249 AromaticContact CZ3-CH2 3.91Å; W183-W249 HydrophobicContact CZ3-CH2 3.91Å; W183-W249 HydrophobicContact CZ3-CZ2 4.47Å |
| 184 | L | 94.4 | Very high | 90.6 | Very high | 24 Ų | 24 | 55.1 Ų | 55.1 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 173.7 | -72.8 | 173.1 | 0 | 0 | 0 | 111.3 | L180 F181 D182 V187 F188 T251 N280 | L180-L184 HydrophobicContact CD1-CG 4.4Å; L180-L184 HydrophobicContact CG-CD1 4.29Å; L180-L184 HydrophobicContact CG-CG 4.42Å; L180-L184 WeakPolarHBondContact O-CG 3.33Å; L180-L184 PolarHBondContact O-N 3.46Å; F181-L184 PolarHBondContact O-N 3.3Å; D182-L184 PolarHBondContact O-N 3.5Å; L184-V187 PolarHBondContact O-N 3.18Å; L184-F188 WeakPolarHBondContact O-CB 3.47Å; L184-F188 PolarHBondContact O-N 3.08Å; L184-T251 HydrophobicContact CD1-CG2 4.38Å; L184-T251 HydrophobicContact CD2-CG2 3.84Å; L184-N280 WeakPolarHBondContact CD1-ND2 3.5Å |
| 185 | G | 92.5 | Very high | 89.7 | Confident | 35 Ų | 35 | 60.4 Ų | 60.4 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F181 D182 W183 F188 S189 | F181-G185 PolarHBondContact O-N 2.9Å; F181-G185 VanDerWaalsContact O-N 3.15Å; D182-G185 PolarHBondContact O-N 3.43Å; W183-G185 VanDerWaalsContact C-N 3.31Å; W183-G185 PolarHBondContact O-N 2.87Å; G185-F188 PolarHBondContact O-N 3.03Å; G185-S189 VanDerWaalsContact O-CB 3.27Å; G185-S189 WeakPolarHBondContact O-CB 3.32Å; G185-S189 PolarHBondContact O-N 2.95Å; G185-S189 PolarHBondContact O-OG 3.47Å |
| 186 | A | 92.5 | Very high | 88.8 | Confident | 9 Ų | 9 | 67.4 Ų | 67.4 | 7% | 0.074 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D182 W183 S189 N190 V191 L193 Y204 | D182-A186 PolarHBondContact O-N 3.18Å; W183-A186 WeakPolarHBondContact O-CB 3.31Å; W183-A186 PolarHBondContact O-N 2.95Å; A186-S189 CarbonylContact O-C 3.6Å; A186-S189 PolarHBondContact O-N 3Å; A186-N190 PolarHBondContact O-N 3.21Å; A186-N190 VanDerWaalsContact O-N 3.13Å; A186-V191 HydrophobicContact CB-CB 4.08Å; A186-V191 HydrophobicContact CB-CG2 4.32Å; A186-V191 WeakPolarHBondContact O-CB 3.36Å; A186-V191 PolarHBondContact O-N 3.21Å; A186-L193 HydrophobicContact CB-CD2 4.03Å; A186-Y204 HydrophobicContact CB-CD1 3.67Å; A186-Y204 HydrophobicContact CB-CE1 3.57Å |
| 187 | V | 93.1 | Very high | 87.6 | Confident | 21 Ų | 21 | 68.4 Ų | 68.4 | 13% | 0.127 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 175.9 | 171 | 0 | 0 | 0 | 0 | 111.1 | L154 L157 W183 L184 S189 N190 | L154-V187 HydrophobicContact CD1-CG1 3.45Å; L154-V187 VanDerWaalsContact CD1-CG1 3.45Å; L157-V187 HydrophobicContact CD1-CG2 4.25Å; W183-V187 HydrophobicContact CD2-CG2 3.86Å; W183-V187 VanDerWaalsContact CE2-CG2 3.49Å; W183-V187 HydrophobicContact CE3-CG2 4.21Å; W183-V187 HydrophobicContact CG-CG2 4.47Å; W183-V187 HydrophobicContact CH2-CG2 3.94Å; W183-V187 HydrophobicContact CZ2-CG2 3.55Å; W183-V187 HydrophobicContact CZ3-CG2 4.24Å; W183-V187 WeakPolarHBondContact O-CG2 3.42Å; W183-V187 PolarHBondContact O-N 3.44Å; L184-V187 PolarHBondContact O-N 3.18Å; V187-S189 VanDerWaalsContact C-N 3.27Å; V187-S189 PolarHBondContact O-N 3.15Å; V187-N190 PolarHBondContact O-N 2.84Å; V187-N190 VanDerWaalsContact O-N 3.11Å |
| 188 | F | 92.3 | Very high | 86.6 | Confident | 117 Ų | 117 | 71.8 Ų | 71.8 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.8 | -38 | 177.2 | 177.2 | -102.8 | 0 | 0 | 0 | 112.2 | L184 G185 N190 L218 T220 | L184-F188 WeakPolarHBondContact O-CB 3.47Å; L184-F188 PolarHBondContact O-N 3.08Å; G185-F188 PolarHBondContact O-N 3.03Å; F188-N190 PolarHBondContact O-N 2.86Å; F188-L218 HydrophobicContact CD2-CD1 4.5Å; F188-T220 HydrophobicContact CE2-CG2 3.95Å; F188-T220 HydrophobicContact CZ-CG2 4.43Å |
| 189 | S | 90.8 | Very high | 85.9 | Confident | 82 Ų | 82 | 73.7 Ų | 73.7 | 57% | 0.573 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 1.5 | 179.1 | -56.3 | 0 | 0 | 0 | 0 | 113.6 | G185 A186 V187 V191 | G185-S189 VanDerWaalsContact O-CB 3.27Å; G185-S189 WeakPolarHBondContact O-CB 3.32Å; G185-S189 PolarHBondContact O-N 2.95Å; G185-S189 PolarHBondContact O-OG 3.47Å; A186-S189 CarbonylContact O-C 3.6Å; A186-S189 PolarHBondContact O-N 3Å; V187-S189 VanDerWaalsContact C-N 3.27Å; V187-S189 PolarHBondContact O-N 3.15Å; S189-V191 PolarHBondContact O-N 3.03Å |
| 190 | N | 88.7 | Confident | 85.2 | Confident | 135 Ų | 135 | 79.5 Ų | 79.5 | 72% | 0.722 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 40.5 | -176.5 | -166.5 | 75.1 | 0 | 0 | 0 | 112.4 | A186 V187 F188 | A186-N190 PolarHBondContact O-N 3.21Å; A186-N190 VanDerWaalsContact O-N 3.13Å; V187-N190 PolarHBondContact O-N 2.84Å; V187-N190 VanDerWaalsContact O-N 3.11Å; F188-N190 PolarHBondContact O-N 2.86Å |
| 191 | V | 86.3 | Confident | 84.4 | Confident | 65 Ų | 65 | 85 Ų | 85 | 39% | 0.394 | 46% | 0.457 | S | S | . | . | trans | -69.4 | 138.7 | 174.6 | 174.4 | 0 | 0 | 0 | 0 | 109 | A186 S189 L193 | A186-V191 HydrophobicContact CB-CB 4.08Å; A186-V191 HydrophobicContact CB-CG2 4.32Å; A186-V191 WeakPolarHBondContact O-CB 3.36Å; A186-V191 PolarHBondContact O-N 3.21Å; S189-V191 PolarHBondContact O-N 3.03Å; V191-L193 PolarHBondContact O-N 2.86Å | ||
| 192 | D | 81.3 | Confident | 83.6 | Confident | 109 Ų | 109 | 88.6 Ų | 88.6 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | trans | -73.2 | 118.6 | 172 | -168.8 | 6.4 | 0 | 0 | 0 | 109.9 | N194 | D192-N194 PolarHBondContact O-N 2.72Å; D192-N194 PolarHBondContact OD1-N 3.2Å; D192-N194 PolarHBondContact OD1-ND2 3.32Å; D192-N194 PolarHBondContact OD2-ND2 2.82Å | ||
| 193 | L | 81.1 | Confident | 83 | Confident | 33 Ų | 33 | 87.5 Ų | 87.5 | 17% | 0.173 | 49% | 0.485 | C | S | . | . | trans | -87.8 | 19.5 | -176.1 | -59.1 | -178.9 | 0 | 0 | 0 | 112.8 | A186 V191 Y204 | A186-L193 HydrophobicContact CB-CD2 4.03Å; V191-L193 PolarHBondContact O-N 2.86Å; L193-Y204 CarbonylContact C-O 3.58Å; L193-Y204 WeakPolarHBondContact CA-O 3.38Å; L193-Y204 HydrophobicContact CD2-CD1 3.53Å; L193-Y204 HydrophobicContact CD2-CE1 3.96Å | ||
| 194 | N | 74.8 | Confident | 82.6 | Confident | 86 Ų | 86 | 90.6 Ų | 90.6 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | trans | -78.7 | 125.8 | 179.3 | -69.4 | -26.5 | 0 | 0 | 0 | 110.5 | D192 E196 | D192-N194 PolarHBondContact O-N 2.72Å; D192-N194 PolarHBondContact OD1-N 3.2Å; D192-N194 PolarHBondContact OD1-ND2 3.32Å; D192-N194 PolarHBondContact OD2-ND2 2.82Å; N194-E196 HydrophobicContact CB-CG 4.4Å; N194-E196 PolarHBondContact O-N 2.87Å | ||
| 195 | N | 74.3 | Confident | 82.2 | Confident | 116 Ų | 116 | 91.4 Ų | 91.4 | 62% | 0.62 | 50% | 0.504 | S | S | * | . | trans | -79.3 | 30.4 | 174.8 | -158.5 | 13.7 | 0 | 0 | 0 | 113 | P197 T203 C205 | N195-P197 VanDerWaalsContact O-CD 3.27Å; N195-P197 WeakPolarHBondContact O-CD 3.27Å; N195-T203 PolarHBondContact OD1-OG1 2.87Å; N195-C205 WeakPolarHBondContact CB-SG 3.28Å; N195-C205 PolarHBondContact OD1-SG 3.18Å | ||
| 196 | E | 76.2 | Confident | 82.1 | Confident | 147 Ų | 147 | 90.4 Ų | 90.4 | 69% | 0.687 | 49% | 0.492 | S | S | * | . | trans | -76.6 | 113.8 | -179.2 | -70.3 | -166.4 | 169.5 | 0 | 0 | 109.4 | N194 N198 T203 | N194-E196 HydrophobicContact CB-CG 4.4Å; N194-E196 PolarHBondContact O-N 2.87Å; E196-N198 PolarHBondContact O-N 2.86Å; E196-T203 WeakPolarHBondContact O-CG2 3.26Å | ||
| 197 | P | 70.2 | Confident | 82.2 | Confident | 126 Ų | 126 | 90.7 Ų | 90.7 | 82% | 0.818 | 49% | 0.492 | S | S | * | . | trans | -64.7 | 124.2 | -174 | 25.4 | -32.8 | 0 | 0 | 0 | 110.4 | N195 | N195-P197 VanDerWaalsContact O-CD 3.27Å; N195-P197 WeakPolarHBondContact O-CD 3.27Å | ||
| 198 | N | 72.1 | Confident | 82 | Confident | 84 Ų | 84 | 95.9 Ų | 95.9 | 45% | 0.449 | 52% | 0.515 | S | S | . | . | B | Isolated β-bridge | trans | -119.3 | 132.4 | 173.9 | -168.9 | -40.8 | 0 | 0 | 0 | 109.8 | E196 F200 I201 | E196-N198 PolarHBondContact O-N 2.86Å; N198-F200 PolarHBondContact O-N 3.38Å; N198-F200 PolarHBondContact OD1-N 3.26Å; N198-F200 VanDerWaalsContact OD1-N 3.14Å; N198-I201 HydrophobicContact CB-CB 4.32Å |
| 199 | N | 77.4 | Confident | 82.1 | Confident | 153 Ų | 153 | 91.4 Ų | 91.4 | 82% | 0.818 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -15 | -176.5 | -71.4 | -22.3 | 0 | 0 | 0 | 114.3 | ||
| 200 | F | 77 | Confident | 82.3 | Confident | 191 Ų | 191 | 88.8 Ų | 88.8 | 84% | 0.838 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.9 | -6 | -173.1 | -57.5 | -74.5 | 0 | 0 | 0 | 114.5 | N198 | N198-F200 PolarHBondContact O-N 3.38Å; N198-F200 PolarHBondContact OD1-N 3.26Å; N198-F200 VanDerWaalsContact OD1-N 3.14Å |
| 201 | I | 77.8 | Confident | 82.5 | Confident | 115 Ų | 115 | 85.9 Ų | 85.9 | 59% | 0.59 | 47% | 0.467 | S | S | * | . | B | Isolated β-bridge | trans | -133.4 | 129.8 | -173 | -52.2 | 177.6 | 0 | 0 | 0 | 108.7 | N198 | N198-I201 HydrophobicContact CB-CB 4.32Å |
| 202 | S | 75.7 | Confident | 82.8 | Confident | 120 Ų | 120 | 86.7 Ų | 86.7 | 84% | 0.839 | 47% | 0.472 | S | S | * | . | trans | -65.9 | 132.3 | 170.5 | -57.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 203 | T | 80.9 | Confident | 83.3 | Confident | 64 Ų | 64 | 83.9 Ų | 83.9 | 39% | 0.393 | 46% | 0.459 | S | S | . | . | trans | -88.3 | 147.5 | 172.2 | 53.5 | 0 | 0 | 0 | 0 | 110.3 | N195 E196 | N195-T203 PolarHBondContact OD1-OG1 2.87Å; E196-T203 WeakPolarHBondContact O-CG2 3.26Å | ||
| 204 | Y | 84.5 | Confident | 83.9 | Confident | 70 Ų | 70 | 85.4 Ų | 85.4 | 28% | 0.275 | 48% | 0.476 | S | S | . | . | trans | -123.7 | 136.9 | 167.9 | -177 | -99.2 | 0 | 0 | 0 | 107.8 | D182 W183 A186 L193 | D182-Y204 HydrophobicContact CB-CE2 4.44Å; D182-Y204 WeakPolarHBondContact CB-OH 3.02Å; W183-Y204 WeakPolarHBondContact CA-OH 3.33Å; W183-Y204 HydrophobicContact CB-CE1 4.47Å; W183-Y204 PolarHBondContact N-OH 3.12Å; A186-Y204 HydrophobicContact CB-CD1 3.67Å; A186-Y204 HydrophobicContact CB-CE1 3.57Å; L193-Y204 CarbonylContact C-O 3.58Å; L193-Y204 WeakPolarHBondContact CA-O 3.38Å; L193-Y204 HydrophobicContact CD2-CD1 3.53Å; L193-Y204 HydrophobicContact CD2-CE1 3.96Å | ||
| 205 | C | 86.9 | Confident | 84.7 | Confident | 42 Ų | 42 | 87 Ų | 87 | 28% | 0.284 | 48% | 0.479 | S | S | . | . | trans | -121.4 | 156.6 | -174.7 | -56.8 | 0 | 0 | 0 | 0 | 109.8 | N195 P207 | N195-C205 WeakPolarHBondContact CB-SG 3.28Å; N195-C205 PolarHBondContact OD1-SG 3.18Å; C205-P207 WeakPolarHBondContact O-CD 3.29Å | ||
| 206 | C | 91.3 | Very high | 85.6 | Confident | 14 Ų | 14 | 82.7 Ų | 82.7 | 10% | 0.095 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 131.8 | 168.2 | -171.8 | 0 | 0 | 0 | 0 | 109.8 | Q158 S210 | Q158-C206 HydrophobicContact CB-CB 3.77Å; Q158-C206 PolarHBondContact O-SG 3.35Å; C206-S210 VanDerWaalsContact SG-CB 3.5Å |
| 207 | P | 92.8 | Very high | 86.5 | Confident | 14 Ų | 14 | 84.1 Ų | 84.1 | 9% | 0.091 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -56 | 143.9 | 169.5 | -25.5 | 32.5 | 0 | 0 | 0 | 112.2 | P160 C175 E179 W183 C205 S210 | P160-P207 HydrophobicContact CB-CB 4.49Å; P160-P207 HydrophobicContact CG-CB 4.24Å; P160-P207 HydrophobicContact CG-CG 4.14Å; C175-P207 HydrophobicContact CB-CB 4.46Å; C175-P207 WeakPolarHBondContact SG-CB 3.06Å; E179-P207 HydrophobicContact CB-CB 4Å; E179-P207 HydrophobicContact CB-CG 3.88Å; W183-P207 HydrophobicContact CB-CG 4.04Å; C205-P207 WeakPolarHBondContact O-CD 3.29Å; P207-S210 WeakPolarHBondContact O-CB 3.22Å |
| 208 | E | 90.8 | Very high | 87.7 | Confident | 130 Ų | 130 | 80.4 Ų | 80.4 | 61% | 0.607 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -102.2 | 143.9 | 177.5 | -70.4 | -59.1 | 143.4 | 0 | 0 | 111.4 | S210 | E208-S210 PolarHBondContact OE1-OG 3.18Å; E208-S210 PolarHBondContact OE2-N 2.95Å; E208-S210 PolarHBondContact OE2-OG 2.89Å |
| 209 | P | 94.1 | Very high | 88.8 | Confident | 23 Ų | 23 | 79.7 Ų | 79.7 | 15% | 0.149 | 43% | 0.434 | C | S | . | . | S | Bend | cis | -75.1 | 141.8 | 1 | 28.3 | -32.9 | 0 | 0 | 0 | 113.3 | V161 V173 | V161-P209 HydrophobicContact CB-CG 4.18Å; V161-P209 HydrophobicContact CG2-CB 4.49Å; V161-P209 PolarHBondContact N-O 2.6Å; V173-P209 VanDerWaalsContact C-CG 3.41Å |
| 210 | S | 93.7 | Very high | 89.7 | Confident | 27 Ų | 27 | 74.1 Ų | 74.1 | 19% | 0.189 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 158.4 | 178.2 | 69.5 | 0 | 0 | 0 | 0 | 113.7 | C159 C206 P207 E208 | C159-S210 CarbonylContact O-C 3.56Å; C159-S210 WeakPolarHBondContact O-CA 3.37Å; C206-S210 VanDerWaalsContact SG-CB 3.5Å; P207-S210 WeakPolarHBondContact O-CB 3.22Å; E208-S210 PolarHBondContact OE1-OG 3.18Å; E208-S210 PolarHBondContact OE2-N 2.95Å; E208-S210 PolarHBondContact OE2-OG 2.89Å |
| 211 | T | 93.4 | Very high | 90.5 | Very high | 75 Ų | 75 | 67.1 Ų | 67.1 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 147.5 | 172.7 | 56.3 | 0 | 0 | 0 | 0 | 111.2 | C159 V161 V213 | C159-T211 WeakPolarHBondContact CB-O 3.36Å; C159-T211 PolarHBondContact N-O 3.13Å; C159-T211 PolarHBondContact O-N 2.89Å; V161-T211 HydrophobicContact CG2-CG2 3.62Å; T211-V213 PolarHBondContact O-N 3.46Å |
| 212 | V | 93.1 | Very high | 91.4 | Very high | 82 Ų | 82 | 65.7 Ų | 65.7 | 50% | 0.497 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 116.3 | 175.4 | -178.6 | 0 | 0 | 0 | 0 | 109.8 | D156 Q158 | D156-V212 HydrophobicContact CB-CG1 4.18Å; Q158-V212 VanDerWaalsContact CD-CG2 3.49Å |
| 213 | V | 91.9 | Very high | 92.2 | Very high | 50 Ų | 50 | 61 Ų | 61 | 30% | 0.303 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 119.7 | 170.6 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | D156 L157 C159 T211 K215 | D156-V213 CarbonylContact C-O 3.59Å; D156-V213 WeakPolarHBondContact CA-O 3.37Å; D156-V213 PolarHBondContact N-O 2.98Å; L157-V213 PolarHBondContact N-O 2.9Å; L157-V213 PolarHBondContact O-N 2.82Å; C159-V213 HydrophobicContact CB-CB 4.33Å; C159-V213 HydrophobicContact CB-CG2 3.53Å; T211-V213 PolarHBondContact O-N 3.46Å; V213-K215 VanDerWaalsContact CG1-O 3.28Å; V213-K215 WeakPolarHBondContact CG1-O 3.43Å; V213-K215 PolarHBondContact O-N 3.29Å |
| 214 | A | 92.6 | Very high | 92.9 | Very high | 65 Ų | 65 | 59.1 Ų | 59.1 | 54% | 0.537 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | -34.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | R155 D156 | R155-A214 WeakPolarHBondContact CA-O 3.43Å; D156-A214 PolarHBondContact N-O 3.05Å |
| 215 | K | 92.7 | Very high | 93.3 | Very high | 120 Ų | 120 | 58.2 Ų | 58.2 | 52% | 0.522 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 130.1 | 177.4 | -66 | -176.3 | -176.5 | 173.7 | 0 | 112.1 | L154 V213 | L154-K215 CarbonylContact O-C 3.57Å; L154-K215 VanDerWaalsContact O-CA 3.3Å; L154-K215 WeakPolarHBondContact O-CA 3.3Å; V213-K215 VanDerWaalsContact CG1-O 3.28Å; V213-K215 WeakPolarHBondContact CG1-O 3.43Å; V213-K215 PolarHBondContact O-N 3.29Å |
| 216 | A | 93.2 | Very high | 93.6 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 21% | 0.207 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 149 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | T153 L154 L157 | T153-A216 CarbonylContact C-O 3.47Å; T153-A216 WeakPolarHBondContact CA-O 3.34Å; L154-A216 HydrophobicContact CB-CB 4.31Å; L154-A216 PolarHBondContact N-O 3.35Å; L154-A216 PolarHBondContact O-N 2.98Å; L157-A216 HydrophobicContact CD2-CB 3.76Å |
| 217 | Y | 94.2 | Very high | 93.6 | Very high | 177 Ų | 177 | 59.1 Ų | 59.1 | 69% | 0.694 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124 | 178.9 | -62.6 | -80.9 | 0 | 0 | 0 | 109.4 | T153 | T153-Y217 HydrophobicContact CG2-CD1 4.29Å; T153-Y217 HydrophobicContact CG2-CE1 3.99Å |
| 218 | L | 95.3 | Very high | 93.5 | Very high | 47 Ų | 47 | 60.6 Ų | 60.6 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 119.6 | 174.7 | 169.8 | 67.1 | 0 | 0 | 0 | 108.6 | S152 F188 | S152-L218 PolarHBondContact N-O 3.29Å; S152-L218 PolarHBondContact O-N 2.96Å; S152-L218 WeakPolarHBondContact OG-CB 3.41Å; S152-L218 PolarHBondContact OG-O 3.23Å; F188-L218 HydrophobicContact CD2-CD1 4.5Å |
| 219 | C | 95.6 | Very high | 93.5 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 47% | 0.473 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.8 | 176.8 | -178.5 | 0 | 0 | 0 | 0 | 109 | A150 L151 | A150-C219 WeakPolarHBondContact O-CA 3.37Å; L151-C219 HydrophobicContact CD2-CB 3.65Å; L151-C219 VanDerWaalsContact CD2-SG 3.53Å |
| 220 | T | 95.5 | Very high | 93.5 | Very high | 36 Ų | 36 | 56.9 Ų | 56.9 | 22% | 0.221 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 125.6 | 176.1 | -51.2 | 0 | 0 | 0 | 0 | 109 | V149 A150 F188 | V149-T220 WeakPolarHBondContact CA-O 3.5Å; A150-T220 PolarHBondContact N-O 3.19Å; A150-T220 PolarHBondContact O-N 3.22Å; F188-T220 HydrophobicContact CE2-CG2 3.95Å; F188-T220 HydrophobicContact CZ-CG2 4.43Å |
| 221 | I | 95.5 | Very high | 93.4 | Very high | 43 Ų | 43 | 58.9 Ų | 58.9 | 22% | 0.221 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.4 | 174.5 | -50.1 | 179 | 0 | 0 | 0 | 107.2 | T3 P147 K148 V149 I225 | T3-I221 HydrophobicContact CG2-CD1 4.21Å; T3-I221 HydrophobicContact CG2-CG2 3.98Å; P147-I221 HydrophobicContact CB-CG2 3.85Å; K148-I221 CarbonylContact O-C 3.52Å; K148-I221 WeakPolarHBondContact O-CA 3.44Å; V149-I221 HydrophobicContact CG2-CG1 4.41Å; V149-I221 HydrophobicContact CG2-CG2 4.41Å; I221-I225 HydrophobicContact CB-CD1 3.93Å; I221-I225 HydrophobicContact CG2-CD1 3.53Å; I221-I225 HydrophobicContact CG2-CG1 4.31Å; I221-I225 WeakPolarHBondContact O-CD1 3.49Å |
| 222 | T | 94.9 | Very high | 93.4 | Very high | 85 Ų | 85 | 58.5 Ų | 58.5 | 52% | 0.521 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 129.7 | -177.4 | -50 | 0 | 0 | 0 | 0 | 110.4 | P147 K148 | P147-T222 CarbonylContact C-O 3.48Å; P147-T222 WeakPolarHBondContact CA-O 3.44Å; K148-T222 PolarHBondContact N-O 2.58Å; K148-T222 PolarHBondContact O-N 3.07Å |
| 223 | G | 94.4 | Very high | 93.5 | Very high | 22 Ų | 22 | 56.6 Ų | 56.6 | 23% | 0.227 | 31% | 0.314 | C | S | . | . | S | Bend | trans | 156.6 | -166.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I225 | G223-I225 PolarHBondContact O-N 3.22Š|
| 224 | F | 94.4 | Very high | 93.6 | Very high | 24 Ų | 24 | 56.1 Ų | 56.1 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | trans | -88.5 | 86.6 | 173.2 | -165 | -127.2 | 0 | 0 | 0 | 109.7 | Y6 L35 L120 A122 F257 | Y6-F224 HydrophobicContact CD1-CB 4.27Å; Y6-F224 HydrophobicContact CD2-CB 3.76Å; Y6-F224 HydrophobicContact CE2-CB 4.4Å; Y6-F224 HydrophobicContact CG-CB 3.69Å; L35-F224 HydrophobicContact CB-CE2 3.98Å; L35-F224 HydrophobicContact CB-CZ 4.1Å; L35-F224 HydrophobicContact CD2-CE2 4.29Å; L120-F224 HydrophobicContact CB-CB 4.41Å; L120-F224 HydrophobicContact CB-CD1 4.13Å; L120-F224 HydrophobicContact CB-CD2 4.24Å; L120-F224 HydrophobicContact CB-CE1 4.45Å; L120-F224 HydrophobicContact CB-CG 4.03Å; L120-F224 HydrophobicContact CD1-CB 4.32Å; L120-F224 HydrophobicContact CD1-CD2 4.26Å; L120-F224 HydrophobicContact CD1-CG 4.42Å; A122-F224 HydrophobicContact CB-CD1 3.6Å; A122-F224 HydrophobicContact CB-CE1 3.88Å; F224-F257 HydrophobicContact CD2-CD2 4.49Å; F224-F257 AromaticContact CD2-CE2 3.6Å; F224-F257 HydrophobicContact CD2-CE2 3.6Å; F224-F257 AromaticContact CD2-CZ 3.83Å; F224-F257 HydrophobicContact CD2-CZ 3.83Å; F224-F257 HydrophobicContact CE2-CE2 4.17Å | ||
| 225 | I | 93.4 | Very high | 93.7 | Very high | 51 Ų | 51 | 57.9 Ų | 57.9 | 26% | 0.262 | 31% | 0.307 | S | S | . | . | trans | -93.9 | 129 | -172.7 | -52.8 | 168.8 | 0 | 0 | 0 | 109.5 | I221 G223 K229 I230 | I221-I225 HydrophobicContact CB-CD1 3.93Å; I221-I225 HydrophobicContact CG2-CD1 3.53Å; I221-I225 HydrophobicContact CG2-CG1 4.31Å; I221-I225 WeakPolarHBondContact O-CD1 3.49Å; G223-I225 PolarHBondContact O-N 3.22Å; I225-K229 HydrophobicContact CG2-CB 4.14Å; I225-I230 HydrophobicContact CG2-CD1 4.38Å; I225-I230 HydrophobicContact CG2-CG1 3.99Å | ||
| 226 | L | 92.3 | Very high | 93.7 | Very high | 15 Ų | 15 | 57.6 Ų | 57.6 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | trans | -79.6 | 147.6 | -179.1 | -61.2 | -171.9 | 0 | 0 | 0 | 112.8 | Y33 A122 H124 E228 K229 I230 | Y33-L226 HydrophobicContact CD1-CD2 4.07Å; Y33-L226 HydrophobicContact CD2-CD1 4.06Å; Y33-L226 HydrophobicContact CD2-CD2 3.3Å; Y33-L226 HydrophobicContact CD2-CG 4.26Å; Y33-L226 HydrophobicContact CE1-CD2 4.45Å; Y33-L226 HydrophobicContact CE2-CD1 4.12Å; Y33-L226 HydrophobicContact CE2-CD2 3.77Å; Y33-L226 HydrophobicContact CE2-CG 4.4Å; Y33-L226 HydrophobicContact CG-CD2 3.48Å; Y33-L226 VanDerWaalsContact CG-CD2 3.48Å; A122-L226 HydrophobicContact CB-CD1 4.08Å; A122-L226 HydrophobicContact CB-CD2 3.55Å; A122-L226 HydrophobicContact CB-CG 3.95Å; H124-L226 HydrophobicContact CB-CD1 3.79Å; L226-E228 VanDerWaalsContact C-N 3.26Å; L226-E228 WeakPolarHBondContact CB-OE2 3.47Å; L226-E228 PolarHBondContact O-N 3Å; L226-K229 HydrophobicContact CB-CG 4.48Å; L226-K229 WeakPolarHBondContact O-CB 3.42Å; L226-K229 PolarHBondContact O-N 2.89Å; L226-I230 PolarHBondContact O-N 3.38Å | ||
| 227 | P | 91.2 | Very high | 93.8 | Very high | 61 Ų | 61 | 58.2 Ų | 58.2 | 40% | 0.396 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -52.8 | -38.7 | 177 | -27.4 | 35.7 | 0 | 0 | 0 | 113.9 | Y33 K229 I230 C231 | Y33-P227 HydrophobicContact CE1-CG 3.88Å; P227-K229 PolarHBondContact O-N 3.21Å; P227-I230 WeakPolarHBondContact O-CB 3.33Å; P227-I230 PolarHBondContact O-N 3.47Å; P227-C231 PolarHBondContact O-N 3.34Å; P227-C231 PolarHBondContact O-SG 3.46Å; P227-C231 VanDerWaalsContact O-SG 3.38Å |
| 228 | E | 90.6 | Very high | 93.7 | Very high | 45 Ų | 45 | 52.4 Ų | 52.4 | 21% | 0.21 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.7 | -33.5 | 179 | -59.8 | 83.5 | 174.6 | 0 | 0 | 111.7 | Y33 L226 L232 | Y33-E228 PolarHBondContact OH-OE1 3.29Å; Y33-E228 PolarHBondContact OH-OE2 3.32Å; L226-E228 VanDerWaalsContact C-N 3.26Å; L226-E228 WeakPolarHBondContact CB-OE2 3.47Å; L226-E228 PolarHBondContact O-N 3Å; E228-L232 VanDerWaalsContact O-CG 3.26Å; E228-L232 WeakPolarHBondContact O-CG 3.33Å; E228-L232 PolarHBondContact O-N 2.84Å; E228-L232 VanDerWaalsContact O-N 3.07Å |
| 229 | K | 91.7 | Very high | 93.6 | Very high | 49 Ų | 49 | 55.6 Ų | 55.6 | 21% | 0.213 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -74.5 | -33.8 | 177.2 | -60.6 | -61 | -175.5 | 178.6 | 0 | 111.9 | M1 I225 L226 P227 L232 L233 | M1-K229 WeakPolarHBondContact CE-O 3.13Å; I225-K229 HydrophobicContact CG2-CB 4.14Å; L226-K229 HydrophobicContact CB-CG 4.48Å; L226-K229 WeakPolarHBondContact O-CB 3.42Å; L226-K229 PolarHBondContact O-N 2.89Å; P227-K229 PolarHBondContact O-N 3.21Å; K229-L232 HydrophobicContact CD-CD1 4.33Å; K229-L233 PolarHBondContact O-N 2.9Å |
| 230 | I | 93.1 | Very high | 93.4 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 13% | 0.128 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.2 | -44.3 | 175 | -64 | 159.9 | 0 | 0 | 0 | 109.9 | I225 L226 P227 L232 L233 L234 L252 V254 Y279 | I225-I230 HydrophobicContact CG2-CD1 4.38Å; I225-I230 HydrophobicContact CG2-CG1 3.99Å; L226-I230 PolarHBondContact O-N 3.38Å; P227-I230 WeakPolarHBondContact O-CB 3.33Å; P227-I230 PolarHBondContact O-N 3.47Å; I230-L232 PolarHBondContact O-N 3.2Å; I230-L233 WeakPolarHBondContact O-CB 3.49Å; I230-L233 PolarHBondContact O-N 2.85Å; I230-L233 VanDerWaalsContact O-N 3.13Å; I230-L234 PolarHBondContact O-N 3.47Å; I230-L252 HydrophobicContact CG2-CD2 4.38Å; I230-V254 HydrophobicContact CD1-CG1 3.86Å; I230-V254 HydrophobicContact CG2-CG2 3.8Å; I230-Y279 WeakPolarHBondContact CG2-OH 3.3Å |
| 231 | C | 92.9 | Very high | 93.4 | Very high | 70 Ų | 70 | 55.8 Ų | 55.8 | 47% | 0.473 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59 | -46.5 | 174.3 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | P227 L233 L234 E235 | P227-C231 PolarHBondContact O-N 3.34Å; P227-C231 PolarHBondContact O-SG 3.46Å; P227-C231 VanDerWaalsContact O-SG 3.38Å; C231-L233 VanDerWaalsContact C-N 3.29Å; C231-L233 PolarHBondContact O-N 3.28Å; C231-L234 WeakPolarHBondContact O-CB 3.18Å; C231-L234 PolarHBondContact O-N 2.86Å; C231-L234 VanDerWaalsContact O-N 3.16Å; C231-E235 WeakPolarHBondContact O-CG 3.4Å; C231-E235 PolarHBondContact O-N 2.79Å |
| 232 | L | 93.4 | Very high | 93.2 | Very high | 66 Ų | 66 | 58.3 Ų | 58.3 | 35% | 0.346 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.4 | -36 | 175.4 | -73.2 | 170.5 | 0 | 0 | 0 | 112.6 | E228 K229 I230 H236 | E228-L232 VanDerWaalsContact O-CG 3.26Å; E228-L232 WeakPolarHBondContact O-CG 3.33Å; E228-L232 PolarHBondContact O-N 2.84Å; E228-L232 VanDerWaalsContact O-N 3.07Å; K229-L232 HydrophobicContact CD-CD1 4.33Å; I230-L232 PolarHBondContact O-N 3.2Å; L232-H236 PolarHBondContact O-N 2.83Å; L232-H236 VanDerWaalsContact O-N 3.12Å; L232-H236 PolarHBondContact O-ND1 3.22Å |
| 233 | L | 94.2 | Very high | 92.9 | Very high | 42 Ų | 42 | 60.1 Ų | 60.1 | 22% | 0.22 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 174.7 | -179.4 | 56.4 | 0 | 0 | 0 | 110.8 | M1 K229 I230 C231 H236 L237 L252 | M1-L233 HydrophobicContact CE-CB 3.67Å; M1-L233 HydrophobicContact CE-CD1 4.41Å; M1-L233 HydrophobicContact SD-CB 4.21Å; M1-L233 HydrophobicContact SD-CD1 3.83Å; M1-L233 HydrophobicContact SD-CG 4.47Å; K229-L233 PolarHBondContact O-N 2.9Å; I230-L233 WeakPolarHBondContact O-CB 3.49Å; I230-L233 PolarHBondContact O-N 2.85Å; I230-L233 VanDerWaalsContact O-N 3.13Å; C231-L233 VanDerWaalsContact C-N 3.29Å; C231-L233 PolarHBondContact O-N 3.28Å; L233-H236 PolarHBondContact O-N 3.26Å; L233-L237 HydrophobicContact CD1-CD1 4.4Å; L233-L237 HydrophobicContact CD1-CG 4.36Å; L233-L237 HydrophobicContact CG-CD1 4.19Å; L233-L237 WeakPolarHBondContact O-CG 3.43Å; L233-L237 PolarHBondContact O-N 2.99Å; L233-L252 HydrophobicContact CD2-CD1 3.58Å; L233-L252 HydrophobicContact CD2-CD2 4.4Å; L233-L252 HydrophobicContact CG-CD1 4.25Å; L233-L252 HydrophobicContact CG-CD2 4.32Å |
| 234 | L | 94.6 | Very high | 92.5 | Very high | 40 Ų | 40 | 65.6 Ų | 65.6 | 21% | 0.209 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.2 | -47 | 177.7 | -177.7 | 64.7 | 0 | 0 | 0 | 111.2 | I230 C231 H236 L237 C238 L252 F281 I283 | I230-L234 PolarHBondContact O-N 3.47Å; C231-L234 WeakPolarHBondContact O-CB 3.18Å; C231-L234 PolarHBondContact O-N 2.86Å; C231-L234 VanDerWaalsContact O-N 3.16Å; L234-H236 PolarHBondContact O-N 3.06Å; L234-L237 PolarHBondContact O-N 3.47Å; L234-L237 VanDerWaalsContact O-N 3.1Å; L234-C238 PolarHBondContact O-N 2.68Å; L234-C238 PolarHBondContact O-SG 2.84Å; L234-C238 VanDerWaalsContact O-SG 3.33Å; L234-L252 HydrophobicContact CB-CD2 3.98Å; L234-L252 HydrophobicContact CD1-CD2 4.12Å; L234-F281 HydrophobicContact CD1-CB 4.01Å; L234-F281 HydrophobicContact CD1-CD1 4.21Å; L234-F281 HydrophobicContact CD1-CD2 3.96Å; L234-F281 HydrophobicContact CD1-CE2 4.49Å; L234-F281 HydrophobicContact CD1-CG 3.79Å; L234-F281 HydrophobicContact CD2-CD1 4.49Å; L234-F281 HydrophobicContact CD2-CD2 4.3Å; L234-F281 HydrophobicContact CD2-CE1 4.22Å; L234-F281 HydrophobicContact CD2-CE2 4Å; L234-F281 HydrophobicContact CD2-CZ 3.97Å; L234-I283 HydrophobicContact CD1-CD1 3.74Å; L234-I283 HydrophobicContact CD1-CG1 4.49Å |
| 235 | E | 94.3 | Very high | 92.2 | Very high | 102 Ų | 102 | 67.8 Ų | 67.8 | 48% | 0.477 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.6 | -47.2 | 175.3 | -73.5 | 170.8 | -171.6 | 0 | 0 | 112 | C231 L237 C238 H239 | C231-E235 WeakPolarHBondContact O-CG 3.4Å; C231-E235 PolarHBondContact O-N 2.79Å; E235-L237 VanDerWaalsContact C-N 3.29Å; E235-L237 PolarHBondContact O-N 3.47Å; E235-C238 WeakPolarHBondContact O-CB 3.45Å; E235-C238 PolarHBondContact O-N 3.15Å; E235-H239 PolarHBondContact O-CD2 3.14Å; E235-H239 PolarHBondContact O-N 3.07Å |
| 236 | H | 93.6 | Very high | 91.8 | Very high | 114 Ų | 114 | 74 Ų | 74 | 53% | 0.528 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.2 | -35 | 176.6 | -69.8 | 124.1 | 0 | 0 | 0 | 112.8 | L232 L233 L234 H239 Y240 | L232-H236 PolarHBondContact O-N 2.83Å; L232-H236 VanDerWaalsContact O-N 3.12Å; L232-H236 PolarHBondContact O-ND1 3.22Å; L233-H236 PolarHBondContact O-N 3.26Å; L234-H236 PolarHBondContact O-N 3.06Å; H236-H239 PolarHBondContact O-N 3.3Å; H236-Y240 PolarHBondContact O-N 3.05Å |
| 237 | L | 93.6 | Very high | 91.6 | Very high | 38 Ų | 38 | 74.6 Ų | 74.6 | 20% | 0.199 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -71.6 | -32.8 | 176.1 | -69.8 | 173.6 | 0 | 0 | 0 | 112.1 | L233 L234 E235 Y240 V250 L252 I283 | L233-L237 HydrophobicContact CD1-CD1 4.4Å; L233-L237 HydrophobicContact CD1-CG 4.36Å; L233-L237 HydrophobicContact CG-CD1 4.19Å; L233-L237 WeakPolarHBondContact O-CG 3.43Å; L233-L237 PolarHBondContact O-N 2.99Å; L234-L237 PolarHBondContact O-N 3.47Å; L234-L237 VanDerWaalsContact O-N 3.1Å; E235-L237 VanDerWaalsContact C-N 3.29Å; E235-L237 PolarHBondContact O-N 3.47Å; L237-Y240 VanDerWaalsContact O-CB 3.3Å; L237-Y240 WeakPolarHBondContact O-CB 3.13Å; L237-Y240 PolarHBondContact O-N 2.88Å; L237-V250 HydrophobicContact CB-CG2 4.12Å; L237-V250 HydrophobicContact CD2-CG2 4.16Å; L237-L252 HydrophobicContact CD1-CB 3.75Å; L237-L252 HydrophobicContact CD1-CD2 4.22Å; L237-L252 HydrophobicContact CD1-CG 4.38Å; L237-I283 HydrophobicContact CB-CD1 3.66Å |
| 238 | C | 93.3 | Very high | 91.6 | Very high | 56 Ų | 56 | 75.2 Ų | 75.2 | 38% | 0.378 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.2 | -48.2 | 169.9 | -65.6 | 0 | 0 | 0 | 0 | 110.8 | L234 E235 Y240 F241 | L234-C238 PolarHBondContact O-N 2.68Å; L234-C238 PolarHBondContact O-SG 2.84Å; L234-C238 VanDerWaalsContact O-SG 3.33Å; E235-C238 WeakPolarHBondContact O-CB 3.45Å; E235-C238 PolarHBondContact O-N 3.15Å; C238-Y240 PolarHBondContact O-N 3.09Å; C238-F241 PolarHBondContact O-N 3.02Å; C238-F241 VanDerWaalsContact O-N 3.17Å |
| 239 | H | 93.3 | Very high | 91.8 | Very high | 113 Ų | 113 | 74.7 Ų | 74.7 | 52% | 0.523 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.9 | -18.5 | 178.2 | -73.7 | -54.3 | 0 | 0 | 0 | 114.1 | E235 H236 F241 D242 | E235-H239 PolarHBondContact O-CD2 3.14Å; E235-H239 PolarHBondContact O-N 3.07Å; H236-H239 PolarHBondContact O-N 3.3Å; H239-F241 PolarHBondContact O-N 3.47Å; H239-F241 VanDerWaalsContact O-N 3.15Å; H239-D242 IonicContact CE1-OD2 2.73Å; H239-D242 IonicContact CG-OD2 2.6Å; H239-D242 IonicContact ND1-OD1 3.17Å; H239-D242 IonicContact ND1-OD2 3.79Å; H239-D242 PolarHBondContact ND1-OD2 3.46Å; H239-D242 WeakPolarHBondContact O-CB 3.25Å; H239-D242 PolarHBondContact O-N 3.49Å |
| 240 | Y | 92 | Very high | 92 | Very high | 97 Ų | 97 | 73.5 Ų | 73.5 | 38% | 0.38 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -29.9 | 173.1 | 175.8 | -105.8 | 0 | 0 | 0 | 112.1 | H236 L237 C238 K245 A247 V250 | H236-Y240 PolarHBondContact O-N 3.05Å; L237-Y240 VanDerWaalsContact O-CB 3.3Å; L237-Y240 WeakPolarHBondContact O-CB 3.13Å; L237-Y240 PolarHBondContact O-N 2.88Å; C238-Y240 PolarHBondContact O-N 3.09Å; Y240-K245 HydrophobicContact CD1-CG 4.13Å; Y240-K245 HydrophobicContact CD2-CG 4.49Å; Y240-K245 HydrophobicContact CE1-CB 3.99Å; Y240-K245 HydrophobicContact CE1-CG 3.74Å; Y240-K245 HydrophobicContact CE2-CD 4.2Å; Y240-K245 HydrophobicContact CE2-CG 4.12Å; Y240-K245 HydrophobicContact CG-CG 4.49Å; Y240-K245 WeakPolarHBondContact O-CE 3.42Å; Y240-K245 WeakPolarHBondContact O-CG 3.34Å; Y240-A247 HydrophobicContact CE1-CB 4.18Å; Y240-V250 HydrophobicContact CD1-CG1 3.81Å; Y240-V250 HydrophobicContact CE1-CG1 3.8Å |
| 241 | F | 93.7 | Very high | 92.2 | Very high | 13 Ų | 13 | 74.4 Ų | 74.4 | 6% | 0.057 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 7.4 | 179 | -66.2 | -59.7 | 0 | 0 | 0 | 115.1 | C238 H239 E243 K245 A247 V250 I283 F284 N285 | C238-F241 PolarHBondContact O-N 3.02Å; C238-F241 VanDerWaalsContact O-N 3.17Å; H239-F241 PolarHBondContact O-N 3.47Å; H239-F241 VanDerWaalsContact O-N 3.15Å; F241-E243 PolarHBondContact O-N 2.77Å; F241-K245 HydrophobicContact CD1-CB 4.18Å; F241-K245 HydrophobicContact CD1-CG 4.16Å; F241-K245 HydrophobicContact CE1-CB 4.22Å; F241-A247 HydrophobicContact CE1-CB 4.49Å; F241-A247 VanDerWaalsContact CE1-O 3.28Å; F241-A247 WeakPolarHBondContact CE1-O 3.41Å; F241-V250 HydrophobicContact CE2-CB 4.47Å; F241-V250 HydrophobicContact CE2-CG1 4.19Å; F241-V250 HydrophobicContact CE2-CG2 3.86Å; F241-V250 HydrophobicContact CZ-CG1 3.89Å; F241-V250 HydrophobicContact CZ-CG2 4.39Å; F241-I283 HydrophobicContact CD2-CG2 3.98Å; F241-I283 HydrophobicContact CE2-CB 4.45Å; F241-I283 HydrophobicContact CE2-CG2 4.07Å; F241-I283 WeakPolarHBondContact CE2-O 3.48Å; F241-F284 WeakPolarHBondContact CD2-O 3.47Å; F241-N285 HydrophobicContact CD1-CB 3.75Å; F241-N285 HydrophobicContact CE1-CB 3.82Å; F241-N285 HydrophobicContact CG-CB 4.33Å; F241-N285 HydrophobicContact CZ-CB 4.42Å |
| 242 | D | 92.3 | Very high | 92.4 | Very high | 96 Ų | 96 | 71.9 Ų | 71.9 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -64.1 | -24.8 | 173.4 | -72.3 | -12 | 0 | 0 | 0 | 112.2 | H239 | H239-D242 IonicContact CE1-OD2 2.73Å; H239-D242 IonicContact CG-OD2 2.6Å; H239-D242 IonicContact ND1-OD1 3.17Å; H239-D242 IonicContact ND1-OD2 3.79Å; H239-D242 PolarHBondContact ND1-OD2 3.46Å; H239-D242 WeakPolarHBondContact O-CB 3.25Å; H239-D242 PolarHBondContact O-N 3.49Å |
| 243 | E | 89.6 | Confident | 92.5 | Very high | 123 Ų | 123 | 71.7 Ų | 71.7 | 58% | 0.575 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -111.8 | 148.8 | 171.2 | -63.2 | 177.2 | 166.4 | 0 | 0 | 110 | F241 K245 | F241-E243 PolarHBondContact O-N 2.77Å; E243-K245 WeakPolarHBondContact O-CG 3.45Å; E243-K245 PolarHBondContact O-N 3.38Å; E243-K245 IonicContact OE2-NZ 3.78Å; E243-K245 PolarHBondContact OE2-NZ 3.1Å |
| 244 | P | 85.4 | Confident | 92.4 | Very high | 138 Ų | 138 | 70.8 Ų | 70.8 | 90% | 0.896 | 38% | 0.376 | S | S | * | . | trans | -55.1 | 116.4 | 175.3 | -25.4 | 34.3 | 0 | 0 | 0 | 111.9 | ||||
| 245 | K | 86.7 | Confident | 92.2 | Very high | 69 Ų | 69 | 76.1 Ų | 76.1 | 30% | 0.3 | 40% | 0.4 | S | S | . | . | trans | -111.8 | 157.1 | 175.7 | -55.1 | -52 | 178.9 | -171.3 | 0 | 110.8 | Y240 F241 E243 | Y240-K245 HydrophobicContact CD1-CG 4.13Å; Y240-K245 HydrophobicContact CD2-CG 4.49Å; Y240-K245 HydrophobicContact CE1-CB 3.99Å; Y240-K245 HydrophobicContact CE1-CG 3.74Å; Y240-K245 HydrophobicContact CE2-CD 4.2Å; Y240-K245 HydrophobicContact CE2-CG 4.12Å; Y240-K245 HydrophobicContact CG-CG 4.49Å; Y240-K245 WeakPolarHBondContact O-CE 3.42Å; Y240-K245 WeakPolarHBondContact O-CG 3.34Å; F241-K245 HydrophobicContact CD1-CB 4.18Å; F241-K245 HydrophobicContact CD1-CG 4.16Å; F241-K245 HydrophobicContact CE1-CB 4.22Å; E243-K245 WeakPolarHBondContact O-CG 3.45Å; E243-K245 PolarHBondContact O-N 3.38Å; E243-K245 IonicContact OE2-NZ 3.78Å; E243-K245 PolarHBondContact OE2-NZ 3.1Å | ||
| 246 | L | 85.1 | Confident | 91.9 | Very high | 181 Ų | 181 | 73.1 Ų | 73.1 | 95% | 0.948 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -77 | -23.7 | 174.6 | -66.8 | 174.7 | 0 | 0 | 0 | 112.9 | ||
| 247 | A | 89.8 | Confident | 91.6 | Very high | 29 Ų | 29 | 71.4 Ų | 71.4 | 24% | 0.24 | 39% | 0.388 | C | S | . | . | trans | -72 | 130.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y240 F241 W249 | Y240-A247 HydrophobicContact CE1-CB 4.18Å; F241-A247 HydrophobicContact CE1-CB 4.49Å; F241-A247 VanDerWaalsContact CE1-O 3.28Å; F241-A247 WeakPolarHBondContact CE1-O 3.41Å; A247-W249 VanDerWaalsContact C-N 3.34Å | ||
| 248 | P | 90.9 | Very high | 91.1 | Very high | 73 Ų | 73 | 72.4 Ų | 72.4 | 47% | 0.474 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -74.5 | -27.9 | 177.2 | 28.2 | -32.8 | 0 | 0 | 0 | 112.4 | N285 | P248-N285 PolarHBondContact O-N 2.97Š|
| 249 | W | 95.1 | Very high | 90.6 | Very high | 34 Ų | 34 | 72.1 Ų | 72.1 | 13% | 0.129 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 162.5 | -179.9 | 52.7 | -98.9 | 0 | 0 | 0 | 111 | C159 L162 L180 W183 A247 T251 V282 I283 F284 | C159-W249 WeakPolarHBondContact SG-CZ2 3.42Å; L162-W249 HydrophobicContact CD1-CD2 4.05Å; L162-W249 HydrophobicContact CD1-CG 4.05Å; L162-W249 HydrophobicContact CD1-CZ2 4.23Å; L180-W249 HydrophobicContact CD1-CZ2 4.44Å; W183-W249 HydrophobicContact CH2-CH2 4.32Å; W183-W249 AromaticContact CZ3-CH2 3.91Å; W183-W249 HydrophobicContact CZ3-CH2 3.91Å; W183-W249 HydrophobicContact CZ3-CZ2 4.47Å; A247-W249 VanDerWaalsContact C-N 3.34Å; W249-T251 HydrophobicContact CZ3-CG2 4.01Å; W249-V282 HydrophobicContact CB-CG1 4.15Å; W249-V282 HydrophobicContact CD2-CG1 4.42Å; W249-V282 HydrophobicContact CE3-CG1 4.34Å; W249-V282 HydrophobicContact CG-CG1 4.36Å; W249-I283 CarbonylContact C-O 3.46Å; W249-I283 WeakPolarHBondContact CA-O 3.45Å; W249-I283 VanDerWaalsContact CB-O 3.28Å; W249-I283 WeakPolarHBondContact CB-O 3.26Å; W249-F284 HydrophobicContact CB-CD1 4.05Å; W249-F284 HydrophobicContact CB-CE1 4.38Å |
| 250 | V | 96 | Very high | 90.2 | Very high | 25 Ų | 25 | 67.7 Ų | 67.7 | 15% | 0.152 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 158.5 | 166.9 | -59.5 | 0 | 0 | 0 | 0 | 109.1 | L237 Y240 F241 I283 | L237-V250 HydrophobicContact CB-CG2 4.12Å; L237-V250 HydrophobicContact CD2-CG2 4.16Å; Y240-V250 HydrophobicContact CD1-CG1 3.81Å; Y240-V250 HydrophobicContact CE1-CG1 3.8Å; F241-V250 HydrophobicContact CE2-CB 4.47Å; F241-V250 HydrophobicContact CE2-CG1 4.19Å; F241-V250 HydrophobicContact CE2-CG2 3.86Å; F241-V250 HydrophobicContact CZ-CG1 3.89Å; F241-V250 HydrophobicContact CZ-CG2 4.39Å; V250-I283 HydrophobicContact CG2-CB 3.98Å; V250-I283 HydrophobicContact CG2-CD1 4.12Å; V250-I283 PolarHBondContact N-O 3.42Å; V250-I283 PolarHBondContact O-N 3.28Å |
| 251 | T | 96.3 | Very high | 89.9 | Confident | 44 Ų | 44 | 63.1 Ų | 63.1 | 27% | 0.27 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145.2 | -177.8 | -168.3 | 0 | 0 | 0 | 0 | 112.4 | L184 W249 N280 F281 | L184-T251 HydrophobicContact CD1-CG2 4.38Å; L184-T251 HydrophobicContact CD2-CG2 3.84Å; W249-T251 HydrophobicContact CZ3-CG2 4.01Å; T251-N280 PolarHBondContact OG1-ND2 2.92Å; T251-N280 PolarHBondContact OG1-OD1 3.16Å; T251-F281 CarbonylContact C-O 3.51Å; T251-F281 WeakPolarHBondContact CA-O 3.28Å; T251-F281 WeakPolarHBondContact CB-O 3.33Å; T251-F281 PolarHBondContact OG1-O 3.12Å |
| 252 | L | 96.6 | Very high | 89.6 | Confident | 17 Ų | 17 | 63.1 Ų | 63.1 | 9% | 0.089 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 104.6 | 175.7 | 173.9 | 60.7 | 0 | 0 | 0 | 109.1 | I230 L233 L234 L237 V254 N280 F281 | I230-L252 HydrophobicContact CG2-CD2 4.38Å; L233-L252 HydrophobicContact CD2-CD1 3.58Å; L233-L252 HydrophobicContact CD2-CD2 4.4Å; L233-L252 HydrophobicContact CG-CD1 4.25Å; L233-L252 HydrophobicContact CG-CD2 4.32Å; L234-L252 HydrophobicContact CB-CD2 3.98Å; L234-L252 HydrophobicContact CD1-CD2 4.12Å; L237-L252 HydrophobicContact CD1-CB 3.75Å; L237-L252 HydrophobicContact CD1-CD2 4.22Å; L237-L252 HydrophobicContact CD1-CG 4.38Å; L252-V254 HydrophobicContact CD1-CG2 4.16Å; L252-V254 HydrophobicContact CG-CG2 4.06Å; L252-N280 VanDerWaalsContact C-OD1 3.28Å; L252-N280 WeakPolarHBondContact O-CA 3.39Å; L252-N280 PolarHBondContact O-OD1 2.89Å; L252-F281 HydrophobicContact CB-CB 4.44Å; L252-F281 PolarHBondContact N-O 2.88Å; L252-F281 PolarHBondContact O-N 3.33Å |
| 253 | S | 95.3 | Very high | 89 | Confident | 62 Ų | 62 | 59.1 Ų | 59.1 | 43% | 0.434 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 132.4 | 172.7 | -41 | 0 | 0 | 0 | 0 | 110.1 | Y279 N280 | S253-Y279 WeakPolarHBondContact CA-O 3.44Å; S253-N280 WeakPolarHBondContact CA-OD1 3.28Å; S253-N280 WeakPolarHBondContact CB-OD1 3.09Å; S253-N280 PolarHBondContact N-OD1 3.16Å; S253-N280 PolarHBondContact OG-OD1 3.35Å |
| 254 | V | 93.4 | Very high | 88.4 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 13% | 0.133 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 123.5 | -179.1 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | I230 L252 L278 Y279 | I230-V254 HydrophobicContact CD1-CG1 3.86Å; I230-V254 HydrophobicContact CG2-CG2 3.8Å; L252-V254 HydrophobicContact CD1-CG2 4.16Å; L252-V254 HydrophobicContact CG-CG2 4.06Å; V254-L278 VanDerWaalsContact O-CA 3.32Å; V254-L278 WeakPolarHBondContact O-CA 3.43Å; V254-L278 VanDerWaalsContact O-CD1 3.31Å; V254-L278 WeakPolarHBondContact O-CD1 3.28Å; V254-Y279 HydrophobicContact CB-CD1 4.07Å; V254-Y279 HydrophobicContact CB-CD2 4.11Å; V254-Y279 HydrophobicContact CB-CE1 3.61Å; V254-Y279 HydrophobicContact CB-CE2 3.6Å; V254-Y279 HydrophobicContact CB-CG 4.35Å; V254-Y279 HydrophobicContact CG1-CD1 4.46Å; V254-Y279 HydrophobicContact CG1-CE1 3.64Å; V254-Y279 HydrophobicContact CG1-CE2 4.27Å; V254-Y279 WeakPolarHBondContact CG1-OH 3.47Å; V254-Y279 HydrophobicContact CG2-CD2 4.27Å; V254-Y279 HydrophobicContact CG2-CE1 4.43Å; V254-Y279 HydrophobicContact CG2-CE2 3.56Å; V254-Y279 PolarHBondContact N-O 3.15Å; V254-Y279 PolarHBondContact O-N 3.36Å; V254-Y279 VanDerWaalsContact O-N 3.08Å |
| 255 | Q | 90.1 | Very high | 88 | Confident | 153 Ų | 153 | 55.5 Ų | 55.5 | 72% | 0.715 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129 | 178.2 | -168.6 | 178.3 | 5.8 | 0 | 0 | 110.4 | H277 L278 | Q255-H277 CarbonylContact C-O 3.55Å; Q255-H277 WeakPolarHBondContact CA-O 3.17Å; Q255-L278 HydrophobicContact CB-CD1 4.17Å |
| 256 | G | 87.9 | Confident | 87.4 | Confident | 39 Ų | 39 | 57.3 Ų | 57.3 | 40% | 0.402 | 32% | 0.318 | S | S | . | . | trans | -81.1 | -179.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | H277 | G256-H277 PolarHBondContact N-O 2.84Š| ||
| 257 | F | 87.4 | Confident | 87.1 | Confident | 78 Ų | 78 | 50.9 Ų | 50.9 | 34% | 0.342 | 28% | 0.284 | S | S | . | . | trans | -80.2 | 128 | 174.9 | -72.7 | -101.8 | 0 | 0 | 0 | 110.4 | L35 L120 F224 D259 S260 H269 | L35-F257 HydrophobicContact CD2-CB 3.72Å; L35-F257 HydrophobicContact CD2-CD1 3.87Å; L35-F257 HydrophobicContact CD2-CD2 3.81Å; L35-F257 HydrophobicContact CD2-CE1 4.46Å; L35-F257 HydrophobicContact CD2-CE2 4.44Å; L35-F257 HydrophobicContact CD2-CG 3.51Å; L120-F257 HydrophobicContact CD1-CE1 3.67Å; L120-F257 HydrophobicContact CD1-CZ 3.76Å; F224-F257 HydrophobicContact CD2-CD2 4.49Å; F224-F257 AromaticContact CD2-CE2 3.6Å; F224-F257 HydrophobicContact CD2-CE2 3.6Å; F224-F257 AromaticContact CD2-CZ 3.83Å; F224-F257 HydrophobicContact CD2-CZ 3.83Å; F224-F257 HydrophobicContact CE2-CE2 4.17Å; F257-D259 VanDerWaalsContact C-N 3.27Å; F257-D259 PolarHBondContact O-N 2.82Å; F257-S260 PolarHBondContact O-N 2.79Å; F257-H269 PolarHBondContact O-NE2 2.82Å | ||
| 258 | A | 82.6 | Confident | 86.6 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 48% | 0.479 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -26.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H269 | A258-H269 PolarHBondContact O-CE1 2.88Å; A258-H269 PolarHBondContact O-NE2 2.82Å |
| 259 | D | 82.7 | Confident | 85.8 | Confident | 50 Ų | 50 | 47.3 Ų | 47.3 | 27% | 0.267 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 21.4 | -177.4 | -62.4 | -68.2 | 0 | 0 | 0 | 113.5 | T39 H40 I41 F257 | T39-D259 WeakPolarHBondContact O-CB 3.24Å; T39-D259 VanDerWaalsContact O-CG 3.29Å; H40-D259 WeakPolarHBondContact CA-OD1 3.46Å; I41-D259 HydrophobicContact CB-CB 4.46Å; I41-D259 PolarHBondContact N-OD1 3.46Å; F257-D259 VanDerWaalsContact C-N 3.27Å; F257-D259 PolarHBondContact O-N 2.82Å |
| 260 | S | 86.2 | Confident | 84.4 | Confident | 20 Ų | 20 | 45.9 Ų | 45.9 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | trans | -73.4 | 130.8 | 173.9 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | I41 F257 V262 H269 | I41-S260 WeakPolarHBondContact CD1-O 3.34Å; F257-S260 PolarHBondContact O-N 2.79Å; S260-V262 WeakPolarHBondContact CB-O 3.39Å; S260-V262 PolarHBondContact O-N 2.88Å; S260-V262 VanDerWaalsContact O-N 3.09Å; S260-V262 PolarHBondContact OG-N 2.83Å; S260-V262 PolarHBondContact OG-O 2.85Å; S260-H269 WeakPolarHBondContact O-CB 3.43Å; S260-H269 PolarHBondContact O-CD2 3.13Å; S260-H269 VanDerWaalsContact O-CD2 3.27Å | ||
| 261 | P | 85.4 | Confident | 82.7 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -66.3 | -10 | 174.5 | 25 | -31.1 | 0 | 0 | 0 | 114.2 | T46 A48 H269 | T46-P261 WeakPolarHBondContact OG1-CB 2.97Å; A48-P261 HydrophobicContact CB-CG 3.63Å; P261-H269 PolarHBondContact O-N 2.96Å |
| 262 | V | 86.4 | Confident | 80.6 | Confident | 13 Ų | 13 | 55 Ų | 55 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -124.7 | 133 | -176.3 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | A48 L50 I56 S260 N267 | A48-V262 HydrophobicContact CB-CG2 4.14Å; L50-V262 HydrophobicContact CD1-CG1 4.14Å; L50-V262 HydrophobicContact CD1-CG2 4.49Å; L50-V262 HydrophobicContact CD2-CB 4.25Å; L50-V262 HydrophobicContact CD2-CG1 4Å; L50-V262 HydrophobicContact CD2-CG2 4.27Å; I56-V262 HydrophobicContact CB-CG2 3.72Å; I56-V262 HydrophobicContact CG1-CG2 3.72Å; I56-V262 HydrophobicContact CG2-CG2 3.76Å; S260-V262 WeakPolarHBondContact CB-O 3.39Å; S260-V262 PolarHBondContact O-N 2.88Å; S260-V262 VanDerWaalsContact O-N 3.09Å; S260-V262 PolarHBondContact OG-N 2.83Å; S260-V262 PolarHBondContact OG-O 2.85Å; V262-N267 WeakPolarHBondContact CA-O 3.47Å |
| 263 | S | 81.1 | Confident | 78.1 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | trans | -100.5 | -157.8 | 172.5 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | E265 N267 E268 H277 | S263-E265 PolarHBondContact O-N 3.01Å; S263-N267 PolarHBondContact N-O 2.89Å; S263-N267 VanDerWaalsContact OG-C 3.26Å; S263-N267 VanDerWaalsContact OG-CB 3.29Å; S263-N267 WeakPolarHBondContact OG-CB 3.15Å; S263-N267 PolarHBondContact OG-O 3.36Å; S263-E268 PolarHBondContact OG-O 3.28Å; S263-H277 WeakPolarHBondContact CB-CE1 3.33Å; S263-H277 VanDerWaalsContact CB-NE2 3.33Å; S263-H277 WeakPolarHBondContact CB-NE2 3.37Å | ||
| 264 | W | 75.9 | Confident | 75.8 | Confident | 50 Ų | 50 | 60.7 Ų | 60.7 | 19% | 0.189 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -43.7 | 129.9 | 175.6 | -60.8 | 107.1 | 0 | 0 | 0 | 112.8 | K266 N267 H277 Y279 P302 | W264-K266 PolarHBondContact O-N 2.71Å; W264-K266 VanDerWaalsContact O-N 3.09Å; W264-N267 WeakPolarHBondContact O-CB 3.45Å; W264-N267 PolarHBondContact O-N 3.46Å; W264-N267 PolarHBondContact O-ND2 3.35Å; W264-H277 AromaticContact CD1-CE1 3.74Å; W264-H277 AromaticContact CD1-ND1 3.33Å; W264-H277 VanDerWaalsContact CD1-ND1 3.33Å; W264-H277 AromaticContact CE2-ND1 3.93Å; W264-H277 AromaticContact NE1-CE1 3.95Å; W264-H277 AromaticContact NE1-ND1 3.21Å; W264-H277 PolarHBondContact NE1-ND1 2.81Å; W264-Y279 AromaticContact CH2-CD1 3.16Å; W264-Y279 HydrophobicContact CH2-CD1 3.16Å; W264-Y279 AromaticContact CH2-CE1 3.79Å; W264-Y279 HydrophobicContact CH2-CE1 3.79Å; W264-Y279 AromaticContact CH2-CG 3.7Å; W264-Y279 HydrophobicContact CH2-CG 3.7Å; W264-Y279 AromaticContact CZ2-CD1 3.85Å; W264-Y279 HydrophobicContact CZ2-CD1 3.85Å; W264-Y279 HydrophobicContact CZ2-CG 4.44Å; W264-Y279 AromaticContact CZ3-CD1 3.99Å; W264-Y279 HydrophobicContact CZ3-CD1 3.99Å; W264-Y279 HydrophobicContact CZ3-CE1 4.19Å; W264-P302 HydrophobicContact CB-CB 4.36Å; W264-P302 HydrophobicContact CB-CG 4.36Å; W264-P302 HydrophobicContact CD2-CG 3.77Å; W264-P302 HydrophobicContact CE3-CB 4.38Å; W264-P302 HydrophobicContact CE3-CG 3.84Å; W264-P302 HydrophobicContact CG-CG 4.01Å; W264-P302 HydrophobicContact CZ3-CG 4.24Å |
| 265 | E | 76.4 | Confident | 73.8 | Confident | 134 Ų | 134 | 60.1 Ų | 60.1 | 63% | 0.626 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | -95.8 | -172.8 | -54.6 | -176.3 | 158.1 | 0 | 0 | 115 | S263 | S263-E265 PolarHBondContact O-N 3.01Š|
| 266 | K | 74.4 | Confident | 72.5 | Confident | 107 Ų | 107 | 58 Ų | 58 | 47% | 0.465 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138 | 11.5 | -178.2 | -52.7 | -179.2 | -162.3 | -165.3 | 0 | 110.9 | L50 N52 K54 W264 | L50-K266 HydrophobicContact CD1-CG 4.17Å; N52-K266 WeakPolarHBondContact ND2-CE 3.39Å; N52-K266 PolarHBondContact ND2-NZ 2.67Å; K54-K266 HydrophobicContact CD-CD 4.08Å; W264-K266 PolarHBondContact O-N 2.71Å; W264-K266 VanDerWaalsContact O-N 3.09Å |
| 267 | N | 79 | Confident | 71.8 | Confident | 46 Ų | 46 | 57.1 Ų | 57.1 | 25% | 0.246 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 153.8 | -176.8 | -67.3 | -53.5 | 0 | 0 | 0 | 109.6 | V262 S263 W264 H300 | V262-N267 WeakPolarHBondContact CA-O 3.47Å; S263-N267 PolarHBondContact N-O 2.89Å; S263-N267 VanDerWaalsContact OG-C 3.26Å; S263-N267 VanDerWaalsContact OG-CB 3.29Å; S263-N267 WeakPolarHBondContact OG-CB 3.15Å; S263-N267 PolarHBondContact OG-O 3.36Å; W264-N267 WeakPolarHBondContact O-CB 3.45Å; W264-N267 PolarHBondContact O-N 3.46Å; W264-N267 PolarHBondContact O-ND2 3.35Å; N267-H300 HydrophobicContact CB-CB 4.43Å |
| 268 | E | 79.4 | Confident | 71.8 | Confident | 21 Ų | 21 | 55.3 Ų | 55.3 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -63.7 | 148.2 | 173.4 | -62.7 | -177.1 | -140.5 | 0 | 0 | 109.6 | H72 S74 Q75 F76 I85 S263 | H72-E268 IonicContact CE1-OE1 3.52Å; H72-E268 PolarHBondContact CE1-OE1 2.71Å; H72-E268 IonicContact ND1-OE1 3.51Å; S74-E268 WeakPolarHBondContact CA-OE2 3.37Å; S74-E268 WeakPolarHBondContact CB-OE2 3.44Å; S74-E268 PolarHBondContact OG-OE2 3.05Å; Q75-E268 HydrophobicContact CG-CB 4.24Å; Q75-E268 PolarHBondContact N-OE1 3.07Å; Q75-E268 PolarHBondContact N-OE2 3.15Å; F76-E268 HydrophobicContact CD2-CB 4Å; F76-E268 HydrophobicContact CE2-CB 3.53Å; F76-E268 WeakPolarHBondContact CE2-O 3.46Å; I85-E268 HydrophobicContact CD1-CG 4.35Å; I85-E268 HydrophobicContact CG1-CG 3.82Å; I85-E268 WeakPolarHBondContact CG1-OE2 3.5Å; S263-E268 PolarHBondContact OG-O 3.28Å |
| 269 | H | 73.2 | Confident | 72.2 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 3% | 0.032 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -97 | 131.9 | 170.1 | -167.4 | -61.7 | 0 | 0 | 0 | 110.4 | I41 F257 A258 S260 P261 G275 H277 | I41-H269 HydrophobicContact CD1-CB 3.95Å; I41-H269 WeakPolarHBondContact CD1-O 3.13Å; F257-H269 PolarHBondContact O-NE2 2.82Å; A258-H269 PolarHBondContact O-CE1 2.88Å; A258-H269 PolarHBondContact O-NE2 2.82Å; S260-H269 WeakPolarHBondContact O-CB 3.43Å; S260-H269 PolarHBondContact O-CD2 3.13Å; S260-H269 VanDerWaalsContact O-CD2 3.27Å; P261-H269 PolarHBondContact O-N 2.96Å; H269-G275 VanDerWaalsContact CE1-CA 3.49Å; H269-G275 WeakPolarHBondContact CE1-CA 3.37Å; H269-H277 AromaticContact CD2-CD2 3.11Å; H269-H277 PolarHBondContact CD2-CD2 3.17Å; H269-H277 AromaticContact CD2-NE2 2.95Å; H269-H277 PolarHBondContact CD2-NE2 3.18Å; H269-H277 AromaticContact CE1-CD2 3.94Å; H269-H277 AromaticContact CE1-NE2 3.83Å; H269-H277 AromaticContact CG-NE2 3.59Å; H269-H277 AromaticContact NE2-CD2 2.98Å; H269-H277 PolarHBondContact NE2-CD2 3.47Å; H269-H277 AromaticContact NE2-NE2 3.17Å; H269-H277 PolarHBondContact NE2-NE2 3.02Å; H269-H277 VanDerWaalsContact NE2-NE2 3.17Å |
| 270 | G | 67.6 | Low | 72.8 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -89.4 | 141.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F76 | F76-G270 VanDerWaalsContact CD2-CA 3.49Š|
| 271 | F | 58.5 | Low | 73.2 | Confident | 91 Ų | 91 | 53 Ų | 53 | 40% | 0.399 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -37.5 | 168.7 | -177.2 | -104.5 | 0 | 0 | 0 | 112.6 | I41 D42 K273 G274 | I41-F271 HydrophobicContact CG2-CB 3.97Å; I41-F271 HydrophobicContact CG2-CD2 3.79Å; I41-F271 HydrophobicContact CG2-CG 4.34Å; D42-F271 HydrophobicContact CB-CB 3.81Å; D42-F271 HydrophobicContact CB-CD1 3.48Å; D42-F271 VanDerWaalsContact CB-CD1 3.48Å; D42-F271 HydrophobicContact CB-CD2 3.9Å; D42-F271 HydrophobicContact CB-CE1 3.94Å; D42-F271 HydrophobicContact CB-CE2 4.31Å; D42-F271 HydrophobicContact CB-CG 3.45Å; D42-F271 VanDerWaalsContact CB-CG 3.45Å; D42-F271 HydrophobicContact CB-CZ 4.32Å; D42-F271 VanDerWaalsContact CG-CZ 3.41Å; D42-F271 WeakPolarHBondContact OD1-CE2 3.34Å; D42-F271 WeakPolarHBondContact OD2-CD1 3.26Å; D42-F271 WeakPolarHBondContact OD2-CE1 3.49Å; D42-F271 WeakPolarHBondContact OD2-CZ 3.2Å; F271-K273 PolarHBondContact O-N 3.48Å; F271-G274 PolarHBondContact O-N 2.94Å; F271-G274 VanDerWaalsContact O-N 3.15Å |
| 272 | R | 52.7 | Low | 73.8 | Confident | 171 Ų | 171 | 52.9 Ų | 52.9 | 65% | 0.645 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 101.7 | -173 | -68.2 | -176.5 | 176.7 | -159.9 | -3.2 | 109 | ||
| 273 | K | 45.1 | Very low | 74.3 | Confident | 148 Ų | 148 | 52.5 Ų | 52.5 | 64% | 0.643 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 95.2 | 40.6 | -175.1 | -52.8 | 170.5 | 179.7 | -175.6 | 0 | 114.3 | F271 G275 A297 | F271-K273 PolarHBondContact O-N 3.48Å; K273-G275 PolarHBondContact O-N 3.21Å; K273-A297 HydrophobicContact CD-CB 4.22Å |
| 274 | G | 47.2 | Very low | 74.9 | Confident | 50 Ų | 50 | 52.3 Ų | 52.3 | 52% | 0.515 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 64.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F271 E276 | F271-G274 PolarHBondContact O-N 2.94Å; F271-G274 VanDerWaalsContact O-N 3.15Å; G274-E276 WeakPolarHBondContact O-CG 2.87Å; G274-E276 PolarHBondContact O-N 2.92Å |
| 275 | G | 50.3 | Low | 75.8 | Confident | 9 Ų | 9 | 54 Ų | 54 | 9% | 0.093 | 26% | 0.26 | C | S | . | . | trans | -39.5 | 97.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | H269 K273 H277 | H269-G275 VanDerWaalsContact CE1-CA 3.49Å; H269-G275 WeakPolarHBondContact CE1-CA 3.37Å; K273-G275 PolarHBondContact O-N 3.21Å; G275-H277 PolarHBondContact O-N 3.02Å | ||
| 276 | E | 62.3 | Low | 76.5 | Confident | 110 Ų | 110 | 51.3 Ų | 51.3 | 51% | 0.514 | 25% | 0.25 | S | C | . | . | trans | -82.4 | 101.4 | -176.5 | -57.1 | -173 | 164.4 | 0 | 0 | 104.9 | G274 L278 A294 | G274-E276 WeakPolarHBondContact O-CG 2.87Å; G274-E276 PolarHBondContact O-N 2.92Å; E276-L278 VanDerWaalsContact C-N 3.32Å; E276-A294 HydrophobicContact CB-CB 4.16Å | ||
| 277 | H | 74.8 | Confident | 77.2 | Confident | 20 Ų | 20 | 52.3 Ų | 52.3 | 9% | 0.093 | 26% | 0.256 | C | S | . | . | trans | -98.7 | 71.6 | 163.1 | -66.4 | -60.9 | 0 | 0 | 0 | 107.7 | Q255 G256 S263 W264 H269 G275 | Q255-H277 CarbonylContact C-O 3.55Å; Q255-H277 WeakPolarHBondContact CA-O 3.17Å; G256-H277 PolarHBondContact N-O 2.84Å; S263-H277 WeakPolarHBondContact CB-CE1 3.33Å; S263-H277 VanDerWaalsContact CB-NE2 3.33Å; S263-H277 WeakPolarHBondContact CB-NE2 3.37Å; W264-H277 AromaticContact CD1-CE1 3.74Å; W264-H277 AromaticContact CD1-ND1 3.33Å; W264-H277 VanDerWaalsContact CD1-ND1 3.33Å; W264-H277 AromaticContact CE2-ND1 3.93Å; W264-H277 AromaticContact NE1-CE1 3.95Å; W264-H277 AromaticContact NE1-ND1 3.21Å; W264-H277 PolarHBondContact NE1-ND1 2.81Å; H269-H277 AromaticContact CD2-CD2 3.11Å; H269-H277 PolarHBondContact CD2-CD2 3.17Å; H269-H277 AromaticContact CD2-NE2 2.95Å; H269-H277 PolarHBondContact CD2-NE2 3.18Å; H269-H277 AromaticContact CE1-CD2 3.94Å; H269-H277 AromaticContact CE1-NE2 3.83Å; H269-H277 AromaticContact CG-NE2 3.59Å; H269-H277 AromaticContact NE2-CD2 2.98Å; H269-H277 PolarHBondContact NE2-CD2 3.47Å; H269-H277 AromaticContact NE2-NE2 3.17Å; H269-H277 PolarHBondContact NE2-NE2 3.02Å; H269-H277 VanDerWaalsContact NE2-NE2 3.17Å; G275-H277 PolarHBondContact O-N 3.02Å | ||
| 278 | L | 86.8 | Confident | 77.9 | Confident | 39 Ų | 39 | 53.6 Ų | 53.6 | 20% | 0.204 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 126.8 | 179.4 | 173.8 | 64.1 | 0 | 0 | 0 | 108.6 | F181 V254 Q255 E276 A294 | F181-L278 HydrophobicContact CE1-CD2 4.11Å; F181-L278 HydrophobicContact CE2-CD2 4.21Å; F181-L278 HydrophobicContact CE2-CG 4.39Å; F181-L278 HydrophobicContact CZ-CD2 3.39Å; F181-L278 HydrophobicContact CZ-CG 3.83Å; V254-L278 VanDerWaalsContact O-CA 3.32Å; V254-L278 WeakPolarHBondContact O-CA 3.43Å; V254-L278 VanDerWaalsContact O-CD1 3.31Å; V254-L278 WeakPolarHBondContact O-CD1 3.28Å; Q255-L278 HydrophobicContact CB-CD1 4.17Å; E276-L278 VanDerWaalsContact C-N 3.32Å; L278-A294 HydrophobicContact CB-CB 4.2Å; L278-A294 PolarHBondContact O-N 2.79Å |
| 279 | Y | 90.9 | Very high | 78.7 | Confident | 44 Ų | 44 | 59.5 Ų | 59.5 | 17% | 0.173 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 149.6 | 168.8 | 58.8 | -83.8 | 0 | 0 | 0 | 109.8 | I230 S253 V254 W264 F281 Q292 | I230-Y279 WeakPolarHBondContact CG2-OH 3.3Å; S253-Y279 WeakPolarHBondContact CA-O 3.44Å; V254-Y279 HydrophobicContact CB-CD1 4.07Å; V254-Y279 HydrophobicContact CB-CD2 4.11Å; V254-Y279 HydrophobicContact CB-CE1 3.61Å; V254-Y279 HydrophobicContact CB-CE2 3.6Å; V254-Y279 HydrophobicContact CB-CG 4.35Å; V254-Y279 HydrophobicContact CG1-CD1 4.46Å; V254-Y279 HydrophobicContact CG1-CE1 3.64Å; V254-Y279 HydrophobicContact CG1-CE2 4.27Å; V254-Y279 WeakPolarHBondContact CG1-OH 3.47Å; V254-Y279 HydrophobicContact CG2-CD2 4.27Å; V254-Y279 HydrophobicContact CG2-CE1 4.43Å; V254-Y279 HydrophobicContact CG2-CE2 3.56Å; V254-Y279 PolarHBondContact N-O 3.15Å; V254-Y279 PolarHBondContact O-N 3.36Å; V254-Y279 VanDerWaalsContact O-N 3.08Å; W264-Y279 AromaticContact CH2-CD1 3.16Å; W264-Y279 HydrophobicContact CH2-CD1 3.16Å; W264-Y279 AromaticContact CH2-CE1 3.79Å; W264-Y279 HydrophobicContact CH2-CE1 3.79Å; W264-Y279 AromaticContact CH2-CG 3.7Å; W264-Y279 HydrophobicContact CH2-CG 3.7Å; W264-Y279 AromaticContact CZ2-CD1 3.85Å; W264-Y279 HydrophobicContact CZ2-CD1 3.85Å; W264-Y279 HydrophobicContact CZ2-CG 4.44Å; W264-Y279 AromaticContact CZ3-CD1 3.99Å; W264-Y279 HydrophobicContact CZ3-CD1 3.99Å; W264-Y279 HydrophobicContact CZ3-CE1 4.19Å; Y279-F281 HydrophobicContact CD2-CD2 4.01Å; Y279-F281 AromaticContact CD2-CE2 3.57Å; Y279-F281 HydrophobicContact CD2-CE2 3.57Å; Y279-F281 HydrophobicContact CE2-CD2 4.28Å; Y279-F281 AromaticContact CE2-CE2 3.71Å; Y279-F281 HydrophobicContact CE2-CE2 3.71Å; Y279-Q292 CarbonylContact C-O 3.49Å; Y279-Q292 VanDerWaalsContact CA-O 3.25Å; Y279-Q292 WeakPolarHBondContact CA-O 3.34Å |
| 280 | N | 94.4 | Very high | 79.8 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 129.2 | -178.7 | -176.7 | 56 | 0 | 0 | 0 | 110.3 | F181 L184 T251 L252 S253 Q292 | F181-N280 HydrophobicContact CD2-CB 4.09Å; F181-N280 HydrophobicContact CE2-CB 3.73Å; L184-N280 WeakPolarHBondContact CD1-ND2 3.5Å; T251-N280 PolarHBondContact OG1-ND2 2.92Å; T251-N280 PolarHBondContact OG1-OD1 3.16Å; L252-N280 VanDerWaalsContact C-OD1 3.28Å; L252-N280 WeakPolarHBondContact O-CA 3.39Å; L252-N280 PolarHBondContact O-OD1 2.89Å; S253-N280 WeakPolarHBondContact CA-OD1 3.28Å; S253-N280 WeakPolarHBondContact CB-OD1 3.09Å; S253-N280 PolarHBondContact N-OD1 3.16Å; S253-N280 PolarHBondContact OG-OD1 3.35Å; N280-Q292 HydrophobicContact CB-CB 4.27Å; N280-Q292 PolarHBondContact N-O 2.9Å; N280-Q292 PolarHBondContact ND2-OE1 2.9Å; N280-Q292 PolarHBondContact O-N 3.01Å |
| 281 | F | 96 | Very high | 81 | Confident | 35 Ų | 35 | 63 Ų | 63 | 15% | 0.154 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 132.4 | 167.6 | -68.9 | -85.1 | 0 | 0 | 0 | 109.2 | L234 T251 L252 Y279 I283 Y289 W290 L291 | L234-F281 HydrophobicContact CD1-CB 4.01Å; L234-F281 HydrophobicContact CD1-CD1 4.21Å; L234-F281 HydrophobicContact CD1-CD2 3.96Å; L234-F281 HydrophobicContact CD1-CE2 4.49Å; L234-F281 HydrophobicContact CD1-CG 3.79Å; L234-F281 HydrophobicContact CD2-CD1 4.49Å; L234-F281 HydrophobicContact CD2-CD2 4.3Å; L234-F281 HydrophobicContact CD2-CE1 4.22Å; L234-F281 HydrophobicContact CD2-CE2 4Å; L234-F281 HydrophobicContact CD2-CZ 3.97Å; T251-F281 CarbonylContact C-O 3.51Å; T251-F281 WeakPolarHBondContact CA-O 3.28Å; T251-F281 WeakPolarHBondContact CB-O 3.33Å; T251-F281 PolarHBondContact OG1-O 3.12Å; L252-F281 HydrophobicContact CB-CB 4.44Å; L252-F281 PolarHBondContact N-O 2.88Å; L252-F281 PolarHBondContact O-N 3.33Å; Y279-F281 HydrophobicContact CD2-CD2 4.01Å; Y279-F281 AromaticContact CD2-CE2 3.57Å; Y279-F281 HydrophobicContact CD2-CE2 3.57Å; Y279-F281 HydrophobicContact CE2-CD2 4.28Å; Y279-F281 AromaticContact CE2-CE2 3.71Å; Y279-F281 HydrophobicContact CE2-CE2 3.71Å; F281-I283 HydrophobicContact CB-CG1 4.41Å; F281-Y289 HydrophobicContact CD1-CD2 4.06Å; F281-Y289 HydrophobicContact CD1-CE2 4.5Å; F281-Y289 HydrophobicContact CE1-CD2 4.35Å; F281-Y289 HydrophobicContact CE1-CE2 4.34Å; F281-W290 WeakPolarHBondContact CA-O 3.2Å; F281-L291 HydrophobicContact CD1-CD1 4.22Å; F281-L291 HydrophobicContact CE1-CB 4.43Å; F281-L291 HydrophobicContact CE1-CD1 3.8Å; F281-L291 HydrophobicContact CE2-CD1 4.26Å; F281-L291 HydrophobicContact CZ-CD1 3.82Å |
| 282 | V | 96.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 114.9 | 163.8 | -174.8 | 0 | 0 | 0 | 0 | 106.4 | L162 L180 W249 F284 Y289 W290 | L162-V282 HydrophobicContact CD1-CG1 4.07Å; L180-V282 HydrophobicContact CD2-CG1 4.42Å; L180-V282 HydrophobicContact CD2-CG2 3.8Å; W249-V282 HydrophobicContact CB-CG1 4.15Å; W249-V282 HydrophobicContact CD2-CG1 4.42Å; W249-V282 HydrophobicContact CE3-CG1 4.34Å; W249-V282 HydrophobicContact CG-CG1 4.36Å; V282-F284 HydrophobicContact CB-CE2 4.3Å; V282-F284 HydrophobicContact CG1-CE1 4.38Å; V282-F284 HydrophobicContact CG1-CE2 3.92Å; V282-F284 HydrophobicContact CG1-CZ 3.82Å; V282-Y289 CarbonylContact O-C 3.47Å; V282-Y289 WeakPolarHBondContact O-CA 3.37Å; V282-Y289 WeakPolarHBondContact O-CB 3.36Å; V282-W290 HydrophobicContact CB-CB 4.15Å; V282-W290 HydrophobicContact CB-CE3 4.39Å; V282-W290 HydrophobicContact CG2-CE3 4.37Å; V282-W290 PolarHBondContact N-O 3.21Å; V282-W290 PolarHBondContact O-N 2.95Å |
| 283 | I | 96.6 | Very high | 84.2 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.6 | -175.1 | -55.6 | 158.7 | 0 | 0 | 0 | 107 | L234 L237 F241 W249 V250 F281 | L234-I283 HydrophobicContact CD1-CD1 3.74Å; L234-I283 HydrophobicContact CD1-CG1 4.49Å; L237-I283 HydrophobicContact CB-CD1 3.66Å; F241-I283 HydrophobicContact CD2-CG2 3.98Å; F241-I283 HydrophobicContact CE2-CB 4.45Å; F241-I283 HydrophobicContact CE2-CG2 4.07Å; F241-I283 WeakPolarHBondContact CE2-O 3.48Å; W249-I283 CarbonylContact C-O 3.46Å; W249-I283 WeakPolarHBondContact CA-O 3.45Å; W249-I283 VanDerWaalsContact CB-O 3.28Å; W249-I283 WeakPolarHBondContact CB-O 3.26Å; V250-I283 HydrophobicContact CG2-CB 3.98Å; V250-I283 HydrophobicContact CG2-CD1 4.12Å; V250-I283 PolarHBondContact N-O 3.42Å; V250-I283 PolarHBondContact O-N 3.28Å; F281-I283 HydrophobicContact CB-CG1 4.41Å |
| 284 | F | 95.5 | Very high | 85.9 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.035 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 158 | -177 | -65.1 | -91.2 | 0 | 0 | 0 | 111.4 | L162 F241 W249 V282 N286 Q287 D288 W290 | L162-F284 HydrophobicContact CB-CE1 3.69Å; L162-F284 HydrophobicContact CB-CZ 4.23Å; L162-F284 HydrophobicContact CD1-CE1 4.17Å; L162-F284 HydrophobicContact CD1-CZ 4.29Å; F241-F284 WeakPolarHBondContact CD2-O 3.47Å; W249-F284 HydrophobicContact CB-CD1 4.05Å; W249-F284 HydrophobicContact CB-CE1 4.38Å; V282-F284 HydrophobicContact CB-CE2 4.3Å; V282-F284 HydrophobicContact CG1-CE1 4.38Å; V282-F284 HydrophobicContact CG1-CE2 3.92Å; V282-F284 HydrophobicContact CG1-CZ 3.82Å; F284-N286 WeakPolarHBondContact CB-OD1 3.11Å; F284-N286 PolarHBondContact O-N 2.81Å; F284-N286 VanDerWaalsContact O-N 3.17Å; F284-Q287 PolarHBondContact O-N 3.05Å; F284-D288 HydrophobicContact CD2-CB 4.37Å; F284-D288 WeakPolarHBondContact CD2-O 3.44Å; F284-D288 PolarHBondContact N-O 3.41Å; F284-W290 AromaticContact CE2-CD1 3.68Å; F284-W290 AromaticContact CE2-CD2 3.73Å; F284-W290 HydrophobicContact CE2-CD2 3.73Å; F284-W290 AromaticContact CE2-CE2 3.78Å; F284-W290 HydrophobicContact CE2-CE3 4.42Å; F284-W290 AromaticContact CE2-CG 3.73Å; F284-W290 HydrophobicContact CE2-CG 3.73Å; F284-W290 AromaticContact CE2-NE1 3.68Å; F284-W290 AromaticContact CZ-CD2 3.65Å; F284-W290 HydrophobicContact CZ-CD2 3.65Å; F284-W290 AromaticContact CZ-CE2 3.53Å; F284-W290 HydrophobicContact CZ-CE3 4Å; F284-W290 HydrophobicContact CZ-CG 4.17Å; F284-W290 HydrophobicContact CZ-CH2 4.21Å; F284-W290 AromaticContact CZ-CZ2 3.86Å; F284-W290 HydrophobicContact CZ-CZ2 3.86Å; F284-W290 HydrophobicContact CZ-CZ3 4.26Å; F284-W290 AromaticContact CZ-NE1 3.88Å |
| 285 | N | 93.5 | Very high | 87.2 | Confident | 87 Ų | 87 | 47.9 Ų | 47.9 | 47% | 0.465 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19.8 | 178.5 | 67 | -1.2 | 0 | 0 | 0 | 114.4 | F241 P248 Q287 | F241-N285 HydrophobicContact CD1-CB 3.75Å; F241-N285 HydrophobicContact CE1-CB 3.82Å; F241-N285 HydrophobicContact CG-CB 4.33Å; F241-N285 HydrophobicContact CZ-CB 4.42Å; P248-N285 PolarHBondContact O-N 2.97Å; N285-Q287 VanDerWaalsContact C-N 3.27Å |
| 286 | N | 92.1 | Very high | 88.1 | Confident | 77 Ų | 77 | 48 Ų | 48 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 8.6 | 174.3 | 73.1 | -22.2 | 0 | 0 | 0 | 113 | S164 F284 D288 | S164-N286 PolarHBondContact OG-ND2 3.33Å; F284-N286 WeakPolarHBondContact CB-OD1 3.11Å; F284-N286 PolarHBondContact O-N 2.81Å; F284-N286 VanDerWaalsContact O-N 3.17Å; N286-D288 PolarHBondContact ND2-OD2 2.73Å; N286-D288 PolarHBondContact O-N 3.27Å; N286-D288 WeakPolarHBondContact OD1-CB 3.4Å; N286-D288 PolarHBondContact OD1-N 2.77Å |
| 287 | Q | 88.6 | Confident | 88.4 | Confident | 128 Ų | 128 | 46.5 Ų | 46.5 | 60% | 0.598 | 24% | 0.242 | S | C | * | . | S | Bend | trans | 69.2 | 4.5 | -178.9 | -52.4 | -174.5 | -0.6 | 0 | 0 | 115.9 | F284 N285 | F284-Q287 PolarHBondContact O-N 3.05Å; N285-Q287 VanDerWaalsContact C-N 3.27Å |
| 288 | D | 94.2 | Very high | 88.1 | Confident | 72 Ų | 72 | 50.2 Ų | 50.2 | 39% | 0.385 | 26% | 0.263 | S | S | . | . | trans | -66.8 | 159.1 | 162.7 | -68.6 | -21.9 | 0 | 0 | 0 | 109.8 | S164 F284 N286 | S164-D288 WeakPolarHBondContact CB-OD2 3.12Å; S164-D288 PolarHBondContact OG-OD2 3.26Å; F284-D288 HydrophobicContact CD2-CB 4.37Å; F284-D288 WeakPolarHBondContact CD2-O 3.44Å; F284-D288 PolarHBondContact N-O 3.41Å; N286-D288 PolarHBondContact ND2-OD2 2.73Å; N286-D288 PolarHBondContact O-N 3.27Å; N286-D288 WeakPolarHBondContact OD1-CB 3.4Å; N286-D288 PolarHBondContact OD1-N 2.77Å | ||
| 289 | Y | 95.3 | Very high | 87.3 | Confident | 145 Ų | 145 | 49.4 Ų | 49.4 | 57% | 0.569 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142 | 152.7 | 172.1 | 72.5 | -84.9 | 0 | 0 | 0 | 112.5 | F281 V282 L291 | F281-Y289 HydrophobicContact CD1-CD2 4.06Å; F281-Y289 HydrophobicContact CD1-CE2 4.5Å; F281-Y289 HydrophobicContact CE1-CD2 4.35Å; F281-Y289 HydrophobicContact CE1-CE2 4.34Å; V282-Y289 CarbonylContact O-C 3.47Å; V282-Y289 WeakPolarHBondContact O-CA 3.37Å; V282-Y289 WeakPolarHBondContact O-CB 3.36Å; Y289-L291 HydrophobicContact CD2-CB 4.34Å; Y289-L291 HydrophobicContact CE2-CB 4.06Å |
| 290 | W | 95.8 | Very high | 86.2 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 138.2 | 162.1 | -60.6 | -15.7 | 0 | 0 | 0 | 109.5 | L162 Q163 S164 L167 A177 L180 F281 V282 F284 | L162-W290 HydrophobicContact CB-CH2 4.26Å; L162-W290 HydrophobicContact CD1-CZ3 4.18Å; L162-W290 HydrophobicContact CD2-CH2 4Å; L162-W290 HydrophobicContact CD2-CZ3 3.92Å; L162-W290 HydrophobicContact CG-CZ3 4.46Å; Q163-W290 WeakPolarHBondContact O-CZ2 3.4Å; S164-W290 PolarHBondContact O-NE1 3.29Å; L167-W290 HydrophobicContact CD2-CB 4.19Å; L167-W290 HydrophobicContact CD2-CD2 3.82Å; L167-W290 HydrophobicContact CD2-CG 3.63Å; A177-W290 HydrophobicContact CB-CE3 3.95Å; A177-W290 HydrophobicContact CB-CH2 4.45Å; A177-W290 HydrophobicContact CB-CZ3 3.91Å; L180-W290 HydrophobicContact CD2-CE3 4.06Å; L180-W290 HydrophobicContact CD2-CZ3 3.8Å; F281-W290 WeakPolarHBondContact CA-O 3.2Å; V282-W290 HydrophobicContact CB-CB 4.15Å; V282-W290 HydrophobicContact CB-CE3 4.39Å; V282-W290 HydrophobicContact CG2-CE3 4.37Å; V282-W290 PolarHBondContact N-O 3.21Å; V282-W290 PolarHBondContact O-N 2.95Å; F284-W290 AromaticContact CE2-CD1 3.68Å; F284-W290 AromaticContact CE2-CD2 3.73Å; F284-W290 HydrophobicContact CE2-CD2 3.73Å; F284-W290 AromaticContact CE2-CE2 3.78Å; F284-W290 HydrophobicContact CE2-CE3 4.42Å; F284-W290 AromaticContact CE2-CG 3.73Å; F284-W290 HydrophobicContact CE2-CG 3.73Å; F284-W290 AromaticContact CE2-NE1 3.68Å; F284-W290 AromaticContact CZ-CD2 3.65Å; F284-W290 HydrophobicContact CZ-CD2 3.65Å; F284-W290 AromaticContact CZ-CE2 3.53Å; F284-W290 HydrophobicContact CZ-CE3 4Å; F284-W290 HydrophobicContact CZ-CG 4.17Å; F284-W290 HydrophobicContact CZ-CH2 4.21Å; F284-W290 AromaticContact CZ-CZ2 3.86Å; F284-W290 HydrophobicContact CZ-CZ2 3.86Å; F284-W290 HydrophobicContact CZ-CZ3 4.26Å; F284-W290 AromaticContact CZ-NE1 3.88Å |
| 291 | L | 93.9 | Very high | 84.7 | Confident | 76 Ų | 76 | 56.1 Ų | 56.1 | 40% | 0.398 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 116.3 | 167.7 | 172.6 | 59.8 | 0 | 0 | 0 | 108.4 | F281 Y289 M293 | F281-L291 HydrophobicContact CD1-CD1 4.22Å; F281-L291 HydrophobicContact CE1-CB 4.43Å; F281-L291 HydrophobicContact CE1-CD1 3.8Å; F281-L291 HydrophobicContact CE2-CD1 4.26Å; F281-L291 HydrophobicContact CZ-CD1 3.82Å; Y289-L291 HydrophobicContact CD2-CB 4.34Å; Y289-L291 HydrophobicContact CE2-CB 4.06Å; L291-M293 HydrophobicContact CD1-CG 3.97Å; L291-M293 HydrophobicContact CD2-CE 4.29Å; L291-M293 HydrophobicContact CD2-CG 4.47Å; L291-M293 HydrophobicContact CD2-SD 4.13Å; L291-M293 HydrophobicContact CG-CG 4.03Å; L291-M293 HydrophobicContact CG-SD 4.34Å |
| 292 | Q | 91.3 | Very high | 83.2 | Confident | 22 Ų | 22 | 55.5 Ų | 55.5 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.5 | 176 | -53.5 | 174.6 | -60.3 | 0 | 0 | 107.9 | A177 F181 Y279 N280 | A177-Q292 VanDerWaalsContact C-NE2 3.26Å; A177-Q292 PolarHBondContact O-NE2 3.17Å; F181-Q292 HydrophobicContact CD2-CB 4.24Å; F181-Q292 HydrophobicContact CE2-CB 4.43Å; Y279-Q292 CarbonylContact C-O 3.49Å; Y279-Q292 VanDerWaalsContact CA-O 3.25Å; Y279-Q292 WeakPolarHBondContact CA-O 3.34Å; N280-Q292 HydrophobicContact CB-CB 4.27Å; N280-Q292 PolarHBondContact N-O 2.9Å; N280-Q292 PolarHBondContact ND2-OE1 2.9Å; N280-Q292 PolarHBondContact O-N 3.01Å |
| 293 | M | 87.1 | Confident | 81 | Confident | 70 Ų | 70 | 63.9 Ų | 63.9 | 35% | 0.345 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 122.8 | 179.4 | -62.4 | -176 | -70.8 | 0 | 0 | 108.5 | L291 V295 P302 | L291-M293 HydrophobicContact CD1-CG 3.97Å; L291-M293 HydrophobicContact CD2-CE 4.29Å; L291-M293 HydrophobicContact CD2-CG 4.47Å; L291-M293 HydrophobicContact CD2-SD 4.13Å; L291-M293 HydrophobicContact CG-CG 4.03Å; L291-M293 HydrophobicContact CG-SD 4.34Å; M293-V295 HydrophobicContact CB-CG2 4.07Å; M293-P302 HydrophobicContact CE-CG 4.48Å; M293-P302 HydrophobicContact SD-CG 3.72Å |
| 294 | A | 80.7 | Confident | 80.2 | Confident | 15 Ų | 15 | 66.8 Ų | 66.8 | 12% | 0.124 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 122 | 164.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | F181 E276 L278 | F181-A294 HydrophobicContact CE1-CB 4.41Å; F181-A294 HydrophobicContact CZ-CB 4.3Å; E276-A294 HydrophobicContact CB-CB 4.16Å; L278-A294 HydrophobicContact CB-CB 4.2Å; L278-A294 PolarHBondContact O-N 2.79Å |
| 295 | V | 74.8 | Confident | 79.4 | Confident | 37 Ų | 37 | 69.9 Ų | 69.9 | 22% | 0.224 | 39% | 0.386 | C | S | . | . | trans | -132.4 | 133.8 | -177.3 | -175.8 | 0 | 0 | 0 | 0 | 106.7 | M293 D299 | M293-V295 HydrophobicContact CB-CG2 4.07Å; V295-D299 HydrophobicContact CG1-CB 3.56Å | ||
| 296 | G | 69.4 | Low | 78.7 | Confident | 11 Ų | 11 | 68.9 Ų | 68.9 | 11% | 0.113 | 38% | 0.382 | C | S | . | . | trans | -55.5 | 147.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N298 D299 | G296-N298 PolarHBondContact O-N 3.01Å; G296-D299 WeakPolarHBondContact CA-OD2 3.34Å; G296-D299 PolarHBondContact N-OD2 2.68Å; G296-D299 PolarHBondContact O-N 3.02Å | ||
| 297 | A | 68.8 | Low | 77.9 | Confident | 78 Ų | 78 | 68.5 Ų | 68.5 | 65% | 0.645 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -15.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | K273 | K273-A297 HydrophobicContact CD-CB 4.22Š|
| 298 | N | 68.3 | Low | 77.2 | Confident | 99 Ų | 99 | 64.8 Ų | 64.8 | 53% | 0.529 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 2.5 | 178.1 | -59.2 | -40.9 | 0 | 0 | 0 | 112.4 | F76 G296 | F76-N298 HydrophobicContact CD1-CB 4.38Å; F76-N298 HydrophobicContact CE1-CB 3.85Å; G296-N298 PolarHBondContact O-N 3.01Å |
| 299 | D | 69.4 | Low | 76.1 | Confident | 22 Ų | 22 | 64.3 Ų | 64.3 | 12% | 0.118 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -86.4 | 154.7 | -179.8 | -65 | -20 | 0 | 0 | 0 | 109.7 | F76 V295 G296 C301 | F76-D299 VanDerWaalsContact CZ-OD1 3.24Å; F76-D299 WeakPolarHBondContact CZ-OD1 3.5Å; V295-D299 HydrophobicContact CG1-CB 3.56Å; G296-D299 WeakPolarHBondContact CA-OD2 3.34Å; G296-D299 PolarHBondContact N-OD2 2.68Å; G296-D299 PolarHBondContact O-N 3.02Å; D299-C301 PolarHBondContact O-N 3.1Å |
| 300 | H | 67.6 | Low | 74.7 | Confident | 116 Ų | 116 | 58.5 Ų | 58.5 | 54% | 0.537 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 123.7 | 175.3 | -148.9 | 73.9 | 0 | 0 | 0 | 109.2 | N267 | N267-H300 HydrophobicContact CB-CB 4.43Š|
| 301 | C | 63.3 | Low | 73.1 | Confident | 69 Ų | 69 | 62.5 Ų | 62.5 | 47% | 0.466 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -72 | 127.5 | 168.6 | -162.3 | 0 | 0 | 0 | 0 | 108 | D299 | D299-C301 PolarHBondContact O-N 3.1Š|
| 302 | P | 64.3 | Low | 71.3 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 14% | 0.143 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 150.8 | 171.8 | 27.5 | -33.4 | 0 | 0 | 0 | 110.2 | W264 M293 | W264-P302 HydrophobicContact CB-CB 4.36Å; W264-P302 HydrophobicContact CB-CG 4.36Å; W264-P302 HydrophobicContact CD2-CG 3.77Å; W264-P302 HydrophobicContact CE3-CB 4.38Å; W264-P302 HydrophobicContact CE3-CG 3.84Å; W264-P302 HydrophobicContact CG-CG 4.01Å; W264-P302 HydrophobicContact CZ3-CG 4.24Å; M293-P302 HydrophobicContact CE-CG 4.48Å; M293-P302 HydrophobicContact SD-CG 3.72Å |
| 303 | P | 51.2 | Low | 69.5 | Low | 175 Ų | 175 | 64.9 Ų | 64.9 | 100% | 1.136 | 40% | 0.398 | S | S | * | . | trans | -64.2 | 0 | 178.9 | 28.3 | -35.4 | 0 | 0 | 0 | 113.4 |
Retrieved 303 of 303 residues in 121.9 ms
(Link to these results)