| 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 | 90.5 | Very high | 91.8 | Very high | 51 Ų | 51 | 35.6 Ų | 35.6 | 25% | 0.251 | 23% | 0.226 | S | C | . | . | 0 | 145.5 | 0 | -55.7 | 166.3 | -110.4 | 0 | 0 | 108.4 | F35 P46 V48 F249 I261 | M1-F35 HydrophobicContact SD-CB 4.29Å; M1-P46 HydrophobicContact CE-CB 3.83Å; M1-P46 HydrophobicContact CG-CB 3.71Å; M1-P46 HydrophobicContact CG-CG 4.17Å; M1-P46 HydrophobicContact SD-CB 3.74Å; M1-V48 HydrophobicContact CB-CG2 3.53Å; M1-V48 HydrophobicContact CG-CG2 4.07Å; M1-V48 HydrophobicContact SD-CG2 3.53Å; M1-V48 VanDerWaalsContact SD-CG2 3.53Å; M1-F249 HydrophobicContact CE-CD1 4.37Å; M1-F249 HydrophobicContact CE-CE1 3.9Å; M1-I261 HydrophobicContact CB-CB 4.28Å; M1-I261 HydrophobicContact CE-CB 4.5Å; M1-I261 HydrophobicContact CE-CG2 3.83Å; M1-I261 PolarHBondContact N-O 2.92Å; M1-I261 PolarHBondContact O-N 2.82Å | |||
| 2 | E | 91.7 | Very high | 92.1 | Very high | 118 Ų | 118 | 33.6 Ų | 33.6 | 55% | 0.551 | 21% | 0.212 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 142.9 | 178.8 | -57.2 | -172 | 151.1 | 0 | 0 | 109.9 | V259 K260 | E2-V259 CarbonylContact C-O 3.57Å; E2-V259 WeakPolarHBondContact CA-O 3.35Å; E2-K260 HydrophobicContact CG-CG 4.14Å; E2-K260 VanDerWaalsContact OE1-CE 3.23Å; E2-K260 WeakPolarHBondContact OE1-CE 3.14Å; E2-K260 IonicContact OE1-NZ 2.92Å; E2-K260 PolarHBondContact OE1-NZ 2.67Å |
| 3 | F | 92.9 | Very high | 92.4 | Very high | 46 Ų | 46 | 31.6 Ų | 31.6 | 20% | 0.202 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 125.2 | 177.8 | -176.7 | -91.7 | 0 | 0 | 0 | 110.7 | F5 L33 V48 V50 V259 | F3-F5 AromaticContact CD1-CD2 3.77Å; F3-F5 HydrophobicContact CD1-CD2 3.77Å; F3-F5 HydrophobicContact CD1-CE1 4.49Å; F3-F5 AromaticContact CD1-CE2 3.57Å; F3-F5 HydrophobicContact CD1-CE2 3.57Å; F3-F5 HydrophobicContact CD1-CG 4.33Å; F3-F5 AromaticContact CD1-CZ 3.97Å; F3-F5 HydrophobicContact CD1-CZ 3.97Å; F3-F5 AromaticContact CE1-CD1 3.85Å; F3-F5 HydrophobicContact CE1-CD1 3.85Å; F3-F5 AromaticContact CE1-CD2 3.77Å; F3-F5 HydrophobicContact CE1-CD2 3.77Å; F3-F5 AromaticContact CE1-CE1 3.76Å; F3-F5 HydrophobicContact CE1-CE1 3.76Å; F3-F5 AromaticContact CE1-CE2 3.66Å; F3-F5 HydrophobicContact CE1-CE2 3.66Å; F3-F5 AromaticContact CE1-CG 3.87Å; F3-F5 HydrophobicContact CE1-CG 3.87Å; F3-F5 AromaticContact CE1-CZ 3.66Å; F3-F5 HydrophobicContact CE1-CZ 3.66Å; F3-L33 HydrophobicContact CB-CD1 4.31Å; F3-L33 HydrophobicContact CD1-CD1 3.85Å; F3-L33 HydrophobicContact CD1-CD2 3.88Å; F3-L33 HydrophobicContact CE1-CD2 3.84Å; F3-L33 HydrophobicContact CG-CD1 4.18Å; F3-L33 HydrophobicContact CG-CD2 4.31Å; F3-L33 HydrophobicContact CZ-CD2 4.22Å; F3-V48 HydrophobicContact CB-CG1 4.05Å; F3-V48 HydrophobicContact CD2-CG1 4.35Å; F3-V48 HydrophobicContact CG-CG1 4.32Å; F3-V50 HydrophobicContact CE1-CG2 3.99Å; F3-V50 HydrophobicContact CE2-CG2 3.64Å; F3-V50 HydrophobicContact CZ-CG2 3.2Å; F3-V259 PolarHBondContact N-O 3.07Å; F3-V259 PolarHBondContact O-N 2.76Å |
| 4 | G | 90.9 | Very high | 92.7 | Very high | 43 Ų | 43 | 30.1 Ų | 30.1 | 44% | 0.443 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 127.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 5 | F | 83.8 | Confident | 92.9 | Very high | 11 Ų | 11 | 29.4 Ų | 29.4 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | trans | -84.7 | -9.8 | 174.8 | -80.2 | -86.5 | 0 | 0 | 0 | 113.7 | F3 A7 V23 R29 L33 V259 | F3-F5 AromaticContact CD1-CD2 3.77Å; F3-F5 HydrophobicContact CD1-CD2 3.77Å; F3-F5 HydrophobicContact CD1-CE1 4.49Å; F3-F5 AromaticContact CD1-CE2 3.57Å; F3-F5 HydrophobicContact CD1-CE2 3.57Å; F3-F5 HydrophobicContact CD1-CG 4.33Å; F3-F5 AromaticContact CD1-CZ 3.97Å; F3-F5 HydrophobicContact CD1-CZ 3.97Å; F3-F5 AromaticContact CE1-CD1 3.85Å; F3-F5 HydrophobicContact CE1-CD1 3.85Å; F3-F5 AromaticContact CE1-CD2 3.77Å; F3-F5 HydrophobicContact CE1-CD2 3.77Å; F3-F5 AromaticContact CE1-CE1 3.76Å; F3-F5 HydrophobicContact CE1-CE1 3.76Å; F3-F5 AromaticContact CE1-CE2 3.66Å; F3-F5 HydrophobicContact CE1-CE2 3.66Å; F3-F5 AromaticContact CE1-CG 3.87Å; F3-F5 HydrophobicContact CE1-CG 3.87Å; F3-F5 AromaticContact CE1-CZ 3.66Å; F3-F5 HydrophobicContact CE1-CZ 3.66Å; F5-A7 PolarHBondContact O-N 3.19Å; F5-V23 HydrophobicContact CD2-CG1 4.06Å; F5-V23 HydrophobicContact CE2-CB 3.63Å; F5-V23 HydrophobicContact CE2-CG1 3.58Å; F5-V23 HydrophobicContact CE2-CG2 3.82Å; F5-V23 HydrophobicContact CZ-CB 3.73Å; F5-V23 HydrophobicContact CZ-CG1 4.1Å; F5-V23 HydrophobicContact CZ-CG2 4.09Å; F5-R29 PolarHBondContact O-NH1 3.33Å; F5-R29 VanDerWaalsContact O-NH1 3.09Å; F5-L33 HydrophobicContact CE1-CD2 4.42Å; F5-L33 HydrophobicContact CE2-CD1 3.9Å; F5-L33 HydrophobicContact CE2-CD2 4.38Å; F5-L33 HydrophobicContact CE2-CG 4.4Å; F5-L33 HydrophobicContact CZ-CD1 3.96Å; F5-L33 HydrophobicContact CZ-CD2 3.71Å; F5-L33 HydrophobicContact CZ-CG 3.94Å; F5-V259 HydrophobicContact CD2-CG2 4.09Å; F5-V259 HydrophobicContact CE2-CG2 3.87Å | ||
| 6 | G | 87.6 | Confident | 92.9 | Very high | 58 Ų | 58 | 31.5 Ų | 31.5 | 60% | 0.598 | 20% | 0.198 | S | C | * | . | S | Bend | trans | 63 | 26.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 7 | A | 91.7 | Very high | 92.9 | Very high | 9 Ų | 9 | 33.9 Ų | 33.9 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -160.5 | 148.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | F5 P9 C25 D27 | F5-A7 PolarHBondContact O-N 3.19Å; A7-P9 WeakPolarHBondContact O-CD 3.44Å; A7-C25 HydrophobicContact CB-CB 4.3Å; A7-D27 HydrophobicContact CB-CB 4.3Å |
| 8 | L | 94.7 | Very high | 93 | Very high | 36 Ų | 36 | 34.2 Ų | 34.2 | 19% | 0.188 | 22% | 0.22 | C | C | . | . | trans | -61.4 | 115.7 | -179.1 | -172.1 | 151.6 | 0 | 0 | 0 | 111.6 | T10 C25 V26 H255 | L8-T10 HydrophobicContact CD2-CG2 3.38Å; L8-C25 VanDerWaalsContact O-CA 3.31Å; L8-C25 WeakPolarHBondContact O-CA 3.18Å; L8-V26 HydrophobicContact CB-CB 4.5Å; L8-V26 HydrophobicContact CB-CG1 3.87Å; L8-V26 PolarHBondContact O-N 2.87Å; L8-H255 HydrophobicContact CD1-CB 4.1Å | ||
| 9 | P | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 128.2 | 170.4 | 32.4 | -34.7 | 0 | 0 | 0 | 109.8 | A7 V23 G24 C253 G254 V259 | A7-P9 WeakPolarHBondContact O-CD 3.44Å; P9-V23 HydrophobicContact CB-CG1 3.65Å; P9-G24 WeakPolarHBondContact CA-O 3.39Å; P9-C253 HydrophobicContact CB-CB 3.75Å; P9-C253 HydrophobicContact CG-CB 3.57Å; P9-G254 WeakPolarHBondContact CD-O 3.34Å; P9-V259 HydrophobicContact CB-CG2 4.16Å; P9-V259 HydrophobicContact CG-CG2 4.25Å |
| 10 | T | 94.2 | Very high | 93.2 | Very high | 11 Ų | 11 | 34.4 Ų | 34.4 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -11.7 | -173.2 | 45.5 | 0 | 0 | 0 | 0 | 113.4 | L8 G24 V26 V60 | L8-T10 HydrophobicContact CD2-CG2 3.38Å; T10-G24 PolarHBondContact N-O 3Å; T10-G24 PolarHBondContact OG1-O 3.27Å; T10-V26 HydrophobicContact CG2-CB 3.9Å; T10-V26 HydrophobicContact CG2-CG2 4.48Å; T10-V60 PolarHBondContact OG1-O 2.95Å |
| 11 | C | 95 | Very high | 93.4 | Very high | 9 Ų | 9 | 32.7 Ų | 32.7 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 147.2 | 180 | 53.2 | 0 | 0 | 0 | 0 | 109.1 | V23 G24 V63 | C11-V23 WeakPolarHBondContact O-CA 3.47Å; C11-G24 PolarHBondContact N-O 3.17Å; C11-G24 PolarHBondContact O-N 2.82Å; C11-V63 HydrophobicContact CB-CG2 4.1Å |
| 12 | L | 96.1 | Very high | 93.7 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 151.1 | 174.8 | 159.6 | 142.3 | 0 | 0 | 0 | 109.2 | C21 T22 V23 D242 L251 V259 | L12-C21 HydrophobicContact CD1-CB 4.04Å; L12-C21 HydrophobicContact CG-CB 4.43Å; L12-T22 CarbonylContact C-O 3.24Å; L12-T22 WeakPolarHBondContact CA-O 3.28Å; L12-V23 HydrophobicContact CB-CG2 4.24Å; L12-V23 HydrophobicContact CD1-CG2 3.57Å; L12-V23 HydrophobicContact CG-CG2 4.29Å; L12-D242 HydrophobicContact CD2-CB 3.69Å; L12-L251 HydrophobicContact CD1-CB 4.13Å; L12-L251 HydrophobicContact CD1-CD1 4.36Å; L12-L251 HydrophobicContact CD2-CB 3.43Å; L12-L251 VanDerWaalsContact CD2-CB 3.43Å; L12-L251 HydrophobicContact CD2-CD1 3.94Å; L12-L251 HydrophobicContact CD2-CG 4.34Å; L12-L251 HydrophobicContact CG-CB 4.43Å; L12-V259 HydrophobicContact CD1-CG1 3.8Å |
| 13 | A | 96.3 | Very high | 94 | Very high | 8 Ų | 8 | 24.7 Ų | 24.7 | 7% | 0.066 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 146.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110 | C21 T22 V63 F65 D242 | A13-C21 CarbonylContact O-C 3.58Å; A13-C21 WeakPolarHBondContact O-CA 3.28Å; A13-C21 WeakPolarHBondContact O-CB 3.41Å; A13-T22 HydrophobicContact CB-CG2 4Å; A13-T22 PolarHBondContact N-O 2.87Å; A13-T22 PolarHBondContact O-N 3.2Å; A13-V63 HydrophobicContact CB-CG2 4.28Å; A13-F65 HydrophobicContact CB-CD2 4.05Å; A13-F65 HydrophobicContact CB-CE2 4.35Å; A13-F65 WeakPolarHBondContact O-CE2 3.41Å; A13-D242 WeakPolarHBondContact CA-OD2 3.42Å |
| 14 | A | 96.3 | Very high | 94.2 | Very high | 11 Ų | 11 | 22.5 Ų | 22.5 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 145.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | F65 D242 I243 L251 | A14-F65 VanDerWaalsContact C-CD2 3.49Å; A14-F65 WeakPolarHBondContact O-CD2 3.28Å; A14-D242 HydrophobicContact CB-CB 4.28Å; A14-D242 WeakPolarHBondContact CB-OD2 3.46Å; A14-D242 PolarHBondContact N-OD2 3.46Å; A14-I243 WeakPolarHBondContact CB-O 3.38Å; A14-L251 HydrophobicContact CB-CD1 3.71Å |
| 15 | H | 96.2 | Very high | 94.5 | Very high | 19 Ų | 19 | 20.4 Ų | 20.4 | 9% | 0.088 | 14% | 0.135 | C | C | . | . | trans | -72.7 | 149 | 175.2 | -173 | -91.8 | 0 | 0 | 0 | 111 | S17 S18 V20 F65 G69 | H15-S17 VanDerWaalsContact C-N 3.26Å; H15-S17 PolarHBondContact CE1-OG 3.34Å; H15-S17 VanDerWaalsContact CE1-OG 3.26Å; H15-S17 PolarHBondContact ND1-N 3.22Å; H15-S17 PolarHBondContact O-N 2.95Å; H15-S18 PolarHBondContact CE1-OG 2.87Å; H15-S18 PolarHBondContact ND1-N 3.22Å; H15-S18 PolarHBondContact ND1-OG 2.83Å; H15-V20 HydrophobicContact CB-CB 3.83Å; H15-V20 HydrophobicContact CB-CG1 4.44Å; H15-V20 WeakPolarHBondContact CB-O 3.19Å; H15-V20 PolarHBondContact N-O 2.93Å; H15-F65 HydrophobicContact CB-CD2 4.4Å; H15-F65 HydrophobicContact CB-CE1 4.3Å; H15-F65 HydrophobicContact CB-CE2 4.09Å; H15-F65 HydrophobicContact CB-CZ 4.05Å; H15-F65 AromaticContact CD2-CD1 3.55Å; H15-F65 AromaticContact CD2-CE1 3.54Å; H15-G69 WeakPolarHBondContact NE2-CA 3.46Å; H15-G69 PolarHBondContact NE2-O 3.45Å | ||
| 16 | T | 91.9 | Very high | 95 | Very high | 63 Ų | 63 | 23.1 Ų | 23.1 | 39% | 0.387 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -71.9 | -14.6 | -171.1 | 56 | 0 | 0 | 0 | 0 | 114.8 | F65 P67 Y245 | T16-F65 HydrophobicContact CG2-CB 4.43Å; T16-P67 PolarHBondContact OG1-O 2.82Å; T16-Y245 VanDerWaalsContact C-CB 3.49Å; T16-Y245 WeakPolarHBondContact O-CB 3.37Å |
| 17 | S | 93.5 | Very high | 95.4 | Very high | 72 Ų | 72 | 22.6 Ų | 22.6 | 50% | 0.503 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -152.5 | 6.8 | -173.6 | 60.5 | 0 | 0 | 0 | 0 | 115.7 | H15 Y245 | H15-S17 VanDerWaalsContact C-N 3.26Å; H15-S17 PolarHBondContact CE1-OG 3.34Å; H15-S17 VanDerWaalsContact CE1-OG 3.26Å; H15-S17 PolarHBondContact ND1-N 3.22Å; H15-S17 PolarHBondContact O-N 2.95Å; S17-Y245 VanDerWaalsContact C-CE1 3.5Å |
| 18 | S | 94 | Very high | 95.6 | Very high | 40 Ų | 40 | 22.2 Ų | 22.2 | 28% | 0.28 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -147.6 | 160.4 | -178.5 | 64.7 | 0 | 0 | 0 | 0 | 111.5 | H15 V20 Y245 | H15-S18 PolarHBondContact CE1-OG 2.87Å; H15-S18 PolarHBondContact ND1-N 3.22Å; H15-S18 PolarHBondContact ND1-OG 2.83Å; S18-V20 PolarHBondContact O-N 2.87Å; S18-V20 WeakPolarHBondContact OG-CG2 3.32Å; S18-Y245 VanDerWaalsContact CA-CE1 3.43Å; S18-Y245 VanDerWaalsContact N-CD1 3.32Å; S18-Y245 VanDerWaalsContact N-CE1 3.3Å |
| 19 | Y | 95 | Very high | 95.6 | Very high | 53 Ų | 53 | 24.1 Ų | 24.1 | 21% | 0.208 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -76.5 | 67 | 176 | -58.1 | -47.3 | 0 | 0 | 0 | 112.4 | F35 Y245 D246 F249 | Y19-F35 WeakPolarHBondContact CB-O 3.3Å; Y19-F35 AromaticContact CD1-CE2 3.81Å; Y19-F35 HydrophobicContact CD1-CE2 3.81Å; Y19-F35 HydrophobicContact CD1-CZ 4.36Å; Y19-F35 HydrophobicContact CG-CD2 4.41Å; Y19-F35 HydrophobicContact CG-CE2 4.07Å; Y19-F35 PolarHBondContact O-N 2.9Å; Y19-F35 VanDerWaalsContact O-O 3.12Å; Y19-Y245 AromaticContact CD1-CE1 3.81Å; Y19-Y245 HydrophobicContact CD1-CE1 3.81Å; Y19-Y245 AromaticContact CE1-CE1 3.88Å; Y19-Y245 HydrophobicContact CE1-CE1 3.88Å; Y19-D246 WeakPolarHBondContact CE1-OD2 3.49Å; Y19-D246 PolarHBondContact OH-OD2 2.8Å; Y19-F249 HydrophobicContact CD1-CD2 4.02Å; Y19-F249 HydrophobicContact CD1-CE2 4.07Å; Y19-F249 AromaticContact CE1-CD2 3.78Å; Y19-F249 HydrophobicContact CE1-CD2 3.78Å; Y19-F249 AromaticContact CE1-CE2 3.66Å; Y19-F249 HydrophobicContact CE1-CE2 3.66Å; Y19-F249 AromaticContact CZ-CE2 3.93Å |
| 20 | V | 96 | Very high | 95.6 | Very high | 18 Ų | 18 | 24.1 Ų | 24.1 | 11% | 0.109 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 139.4 | -178.4 | 178.4 | 0 | 0 | 0 | 0 | 106.8 | H15 S18 L32 L33 V34 F65 | H15-V20 HydrophobicContact CB-CB 3.83Å; H15-V20 HydrophobicContact CB-CG1 4.44Å; H15-V20 WeakPolarHBondContact CB-O 3.19Å; H15-V20 PolarHBondContact N-O 2.93Å; S18-V20 PolarHBondContact O-N 2.87Å; S18-V20 WeakPolarHBondContact OG-CG2 3.32Å; V20-L32 HydrophobicContact CG1-CD1 3.39Å; V20-L32 HydrophobicContact CG1-CD2 3.65Å; V20-L32 HydrophobicContact CG1-CG 3.45Å; V20-L32 VanDerWaalsContact CG1-CG 3.45Å; V20-L33 CarbonylContact C-O 3.52Å; V20-L33 VanDerWaalsContact CA-O 3.28Å; V20-L33 WeakPolarHBondContact CA-O 3.43Å; V20-L33 WeakPolarHBondContact CG1-O 3.49Å; V20-V34 HydrophobicContact CG2-CG1 4.47Å; V20-V34 HydrophobicContact CG2-CG2 4.18Å; V20-F65 HydrophobicContact CG1-CZ 4.45Å |
| 21 | C | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 152.6 | 170.8 | 64.3 | 0 | 0 | 0 | 0 | 110.5 | L12 A13 L32 L33 F35 L251 | L12-C21 HydrophobicContact CD1-CB 4.04Å; L12-C21 HydrophobicContact CG-CB 4.43Å; A13-C21 CarbonylContact O-C 3.58Å; A13-C21 WeakPolarHBondContact O-CA 3.28Å; A13-C21 WeakPolarHBondContact O-CB 3.41Å; C21-L32 CarbonylContact O-C 3.6Å; C21-L32 WeakPolarHBondContact O-CA 3.39Å; C21-L33 PolarHBondContact N-O 3.1Å; C21-L33 PolarHBondContact O-N 3.2Å; C21-F35 HydrophobicContact CB-CE1 3.98Å; C21-L251 HydrophobicContact CB-CD1 3.52Å |
| 22 | T | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 143.9 | 172.6 | -169.4 | 0 | 0 | 0 | 0 | 109.3 | L12 A13 M30 G31 V63 F65 V72 | L12-T22 CarbonylContact C-O 3.24Å; L12-T22 WeakPolarHBondContact CA-O 3.28Å; A13-T22 HydrophobicContact CB-CG2 4Å; A13-T22 PolarHBondContact N-O 2.87Å; A13-T22 PolarHBondContact O-N 3.2Å; T22-M30 VanDerWaalsContact OG1-CE 3.25Å; T22-M30 WeakPolarHBondContact OG1-CE 3.45Å; T22-G31 CarbonylContact C-O 3.46Å; T22-G31 VanDerWaalsContact CA-O 3.25Å; T22-G31 WeakPolarHBondContact CA-O 3.38Å; T22-G31 PolarHBondContact OG1-O 2.96Å; T22-V63 HydrophobicContact CG2-CB 3.79Å; T22-V63 HydrophobicContact CG2-CG2 3.73Å; T22-F65 HydrophobicContact CG2-CD2 4.3Å; T22-F65 HydrophobicContact CG2-CE2 3.69Å; T22-F65 HydrophobicContact CG2-CZ 3.99Å; T22-V72 HydrophobicContact CG2-CG1 3.73Å |
| 23 | V | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 132.5 | -179.8 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | F5 P9 C11 L12 M30 G31 L33 V259 | F5-V23 HydrophobicContact CD2-CG1 4.06Å; F5-V23 HydrophobicContact CE2-CB 3.63Å; F5-V23 HydrophobicContact CE2-CG1 3.58Å; F5-V23 HydrophobicContact CE2-CG2 3.82Å; F5-V23 HydrophobicContact CZ-CB 3.73Å; F5-V23 HydrophobicContact CZ-CG1 4.1Å; F5-V23 HydrophobicContact CZ-CG2 4.09Å; P9-V23 HydrophobicContact CB-CG1 3.65Å; C11-V23 WeakPolarHBondContact O-CA 3.47Å; L12-V23 HydrophobicContact CB-CG2 4.24Å; L12-V23 HydrophobicContact CD1-CG2 3.57Å; L12-V23 HydrophobicContact CG-CG2 4.29Å; V23-M30 CarbonylContact O-C 3.55Å; V23-M30 WeakPolarHBondContact O-CA 3.04Å; V23-G31 PolarHBondContact N-O 2.81Å; V23-G31 PolarHBondContact O-N 3.49Å; V23-L33 HydrophobicContact CG2-CD1 4.01Å; V23-L33 HydrophobicContact CG2-CG 4.44Å; V23-V259 HydrophobicContact CG1-CG2 3.97Å; V23-V259 HydrophobicContact CG2-CG1 4.39Å; V23-V259 HydrophobicContact CG2-CG2 3.89Å |
| 24 | G | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 141.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P9 T10 C11 | P9-G24 WeakPolarHBondContact CA-O 3.39Å; T10-G24 PolarHBondContact N-O 3Å; T10-G24 PolarHBondContact OG1-O 3.27Å; C11-G24 PolarHBondContact N-O 3.17Å; C11-G24 PolarHBondContact O-N 2.82Å |
| 25 | C | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 158.6 | -178.1 | -54.6 | 0 | 0 | 0 | 0 | 112.4 | A7 L8 D27 G28 R29 V60 | A7-C25 HydrophobicContact CB-CB 4.3Å; L8-C25 VanDerWaalsContact O-CA 3.31Å; L8-C25 WeakPolarHBondContact O-CA 3.18Å; C25-D27 VanDerWaalsContact C-N 3.25Å; C25-D27 PolarHBondContact O-N 2.9Å; C25-G28 PolarHBondContact O-N 2.79Å; C25-R29 HydrophobicContact CB-CB 4.12Å; C25-R29 PolarHBondContact N-O 3.12Å; C25-V60 PolarHBondContact O-N 3.03Å; C25-V60 VanDerWaalsContact O-N 3.07Å |
| 26 | V | 95.7 | Very high | 95.3 | Very high | 67 Ų | 67 | 26 Ų | 26 | 41% | 0.406 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -27.7 | 178.5 | 73.7 | 0 | 0 | 0 | 0 | 113.6 | L8 T10 G28 A59 | L8-V26 HydrophobicContact CB-CB 4.5Å; L8-V26 HydrophobicContact CB-CG1 3.87Å; L8-V26 PolarHBondContact O-N 2.87Å; T10-V26 HydrophobicContact CG2-CB 3.9Å; T10-V26 HydrophobicContact CG2-CG2 4.48Å; V26-G28 PolarHBondContact O-N 3.45Å; V26-A59 HydrophobicContact CG2-CB 4.28Å; V26-A59 WeakPolarHBondContact O-CA 3.09Å; V26-A59 WeakPolarHBondContact O-CB 3.12Å; V26-A59 PolarHBondContact O-N 3.49Å |
| 27 | D | 95.4 | Very high | 94.8 | Very high | 48 Ų | 48 | 26 Ų | 26 | 26% | 0.257 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 0.8 | 177.7 | 85 | -31 | 0 | 0 | 0 | 113 | A7 C25 R29 | A7-D27 HydrophobicContact CB-CB 4.3Å; C25-D27 VanDerWaalsContact C-N 3.25Å; C25-D27 PolarHBondContact O-N 2.9Å; D27-R29 VanDerWaalsContact OD1-CB 3.3Å; D27-R29 WeakPolarHBondContact OD1-CB 3.47Å; D27-R29 WeakPolarHBondContact OD1-CD 3.39Å; D27-R29 VanDerWaalsContact OD1-CG 3.23Å; D27-R29 WeakPolarHBondContact OD1-CG 3.3Å; D27-R29 PolarHBondContact OD1-N 2.96Å; D27-R29 IonicContact OD1-NE 3.45Å; D27-R29 VanDerWaalsContact OD2-CD 3.28Å; D27-R29 WeakPolarHBondContact OD2-CD 3.39Å; D27-R29 WeakPolarHBondContact OD2-CG 3.09Å; D27-R29 IonicContact OD2-CZ 2.76Å; D27-R29 IonicContact OD2-NE 3.8Å; D27-R29 PolarHBondContact OD2-NE 3.42Å; D27-R29 IonicContact OD2-NH2 2.83Å; D27-R29 PolarHBondContact OD2-NH2 3.02Å |
| 28 | G | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 89.2 | 0.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | C25 V26 F56 Q58 | C25-G28 PolarHBondContact O-N 2.79Å; V26-G28 PolarHBondContact O-N 3.45Å; G28-F56 WeakPolarHBondContact O-CB 3.15Å; G28-F56 PolarHBondContact O-N 2.89Å; G28-Q58 VanDerWaalsContact CA-O 3.23Å; G28-Q58 WeakPolarHBondContact CA-O 3.39Å |
| 29 | R | 95.9 | Very high | 93.1 | Very high | 77 Ų | 77 | 25.9 Ų | 25.9 | 29% | 0.291 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 143.1 | 169.7 | -69.8 | 168 | -161 | -171.2 | 11.9 | 110.1 | F5 C25 D27 K54 | F5-R29 PolarHBondContact O-NH1 3.33Å; F5-R29 VanDerWaalsContact O-NH1 3.09Å; C25-R29 HydrophobicContact CB-CB 4.12Å; C25-R29 PolarHBondContact N-O 3.12Å; D27-R29 VanDerWaalsContact OD1-CB 3.3Å; D27-R29 WeakPolarHBondContact OD1-CB 3.47Å; D27-R29 WeakPolarHBondContact OD1-CD 3.39Å; D27-R29 VanDerWaalsContact OD1-CG 3.23Å; D27-R29 WeakPolarHBondContact OD1-CG 3.3Å; D27-R29 PolarHBondContact OD1-N 2.96Å; D27-R29 IonicContact OD1-NE 3.45Å; D27-R29 VanDerWaalsContact OD2-CD 3.28Å; D27-R29 WeakPolarHBondContact OD2-CD 3.39Å; D27-R29 WeakPolarHBondContact OD2-CG 3.09Å; D27-R29 IonicContact OD2-CZ 2.76Å; D27-R29 IonicContact OD2-NE 3.8Å; D27-R29 PolarHBondContact OD2-NE 3.42Å; D27-R29 IonicContact OD2-NH2 2.83Å; D27-R29 PolarHBondContact OD2-NH2 3.02Å; R29-K54 CarbonylContact C-O 3.58Å; R29-K54 WeakPolarHBondContact CA-O 3.14Å |
| 30 | M | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 125.5 | 169.2 | -174.5 | -172.5 | 177.7 | 0 | 0 | 107.3 | T22 V23 W52 Q53 K54 F56 V60 V63 V72 A74 | T22-M30 VanDerWaalsContact OG1-CE 3.25Å; T22-M30 WeakPolarHBondContact OG1-CE 3.45Å; V23-M30 CarbonylContact O-C 3.55Å; V23-M30 WeakPolarHBondContact O-CA 3.04Å; M30-W52 HydrophobicContact CE-CH2 4.08Å; M30-W52 HydrophobicContact CG-CH2 4.45Å; M30-W52 HydrophobicContact CG-CZ3 4.2Å; M30-W52 HydrophobicContact SD-CH2 4.36Å; M30-W52 HydrophobicContact SD-CZ3 4.47Å; M30-Q53 CarbonylContact O-C 3.5Å; M30-Q53 WeakPolarHBondContact O-CA 3.34Å; M30-K54 PolarHBondContact N-O 3.41Å; M30-K54 PolarHBondContact O-N 2.82Å; M30-F56 HydrophobicContact CB-CD2 4.13Å; M30-F56 HydrophobicContact CB-CE2 3.86Å; M30-F56 HydrophobicContact CG-CE2 4.41Å; M30-F56 HydrophobicContact SD-CE2 3.62Å; M30-F56 HydrophobicContact SD-CZ 4.07Å; M30-V60 HydrophobicContact CB-CG2 4.26Å; M30-V63 HydrophobicContact CE-CG1 3.91Å; M30-V72 HydrophobicContact CE-CB 4Å; M30-V72 HydrophobicContact CE-CG1 3.3Å; M30-A74 HydrophobicContact CE-CB 3.93Å; M30-A74 HydrophobicContact SD-CB 3.7Å |
| 31 | G | 95.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 159.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T22 V23 W52 | T22-G31 CarbonylContact C-O 3.46Å; T22-G31 VanDerWaalsContact CA-O 3.25Å; T22-G31 WeakPolarHBondContact CA-O 3.38Å; T22-G31 PolarHBondContact OG1-O 2.96Å; V23-G31 PolarHBondContact N-O 2.81Å; V23-G31 PolarHBondContact O-N 3.49Å; G31-W52 CarbonylContact C-O 3.57Å; G31-W52 VanDerWaalsContact CA-O 3.31Å; G31-W52 WeakPolarHBondContact CA-O 3.19Å |
| 32 | L | 97.1 | Very high | 89.7 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 121.6 | 160.4 | -168.9 | 83.3 | 0 | 0 | 0 | 107.6 | V20 C21 V50 A51 W52 F65 T86 | V20-L32 HydrophobicContact CG1-CD1 3.39Å; V20-L32 HydrophobicContact CG1-CD2 3.65Å; V20-L32 HydrophobicContact CG1-CG 3.45Å; V20-L32 VanDerWaalsContact CG1-CG 3.45Å; C21-L32 CarbonylContact O-C 3.6Å; C21-L32 WeakPolarHBondContact O-CA 3.39Å; L32-V50 CarbonylContact O-C 3.46Å; L32-A51 HydrophobicContact CB-CB 4.31Å; L32-A51 HydrophobicContact CD2-CB 3.91Å; L32-A51 HydrophobicContact CG-CB 4.4Å; L32-A51 PolarHBondContact O-N 3.26Å; L32-W52 HydrophobicContact CB-CD2 3.72Å; L32-W52 HydrophobicContact CB-CE3 4.22Å; L32-W52 HydrophobicContact CB-CG 4.19Å; L32-W52 HydrophobicContact CB-CH2 4.07Å; L32-W52 HydrophobicContact CB-CZ2 3.58Å; L32-W52 HydrophobicContact CB-CZ3 4.37Å; L32-W52 HydrophobicContact CD1-CZ2 4.16Å; L32-W52 HydrophobicContact CD2-CZ2 4.35Å; L32-W52 HydrophobicContact CG-CZ2 4.26Å; L32-W52 PolarHBondContact N-O 3.16Å; L32-F65 HydrophobicContact CD1-CE1 4.01Å; L32-F65 HydrophobicContact CD1-CZ 3.65Å; L32-T86 HydrophobicContact CD1-CG2 4.43Å; L32-T86 HydrophobicContact CD2-CG2 4.25Å; L32-T86 VanDerWaalsContact CD2-O 3.29Å; L32-T86 WeakPolarHBondContact CD2-O 3.33Å |
| 33 | L | 96.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 136.4 | 175.4 | -55.1 | -178.2 | 0 | 0 | 0 | 108.7 | F3 F5 V20 C21 V23 V48 R49 V50 V259 | F3-L33 HydrophobicContact CB-CD1 4.31Å; F3-L33 HydrophobicContact CD1-CD1 3.85Å; F3-L33 HydrophobicContact CD1-CD2 3.88Å; F3-L33 HydrophobicContact CE1-CD2 3.84Å; F3-L33 HydrophobicContact CG-CD1 4.18Å; F3-L33 HydrophobicContact CG-CD2 4.31Å; F3-L33 HydrophobicContact CZ-CD2 4.22Å; F5-L33 HydrophobicContact CE1-CD2 4.42Å; F5-L33 HydrophobicContact CE2-CD1 3.9Å; F5-L33 HydrophobicContact CE2-CD2 4.38Å; F5-L33 HydrophobicContact CE2-CG 4.4Å; F5-L33 HydrophobicContact CZ-CD1 3.96Å; F5-L33 HydrophobicContact CZ-CD2 3.71Å; F5-L33 HydrophobicContact CZ-CG 3.94Å; V20-L33 CarbonylContact C-O 3.52Å; V20-L33 VanDerWaalsContact CA-O 3.28Å; V20-L33 WeakPolarHBondContact CA-O 3.43Å; V20-L33 WeakPolarHBondContact CG1-O 3.49Å; C21-L33 PolarHBondContact N-O 3.1Å; C21-L33 PolarHBondContact O-N 3.2Å; V23-L33 HydrophobicContact CG2-CD1 4.01Å; V23-L33 HydrophobicContact CG2-CG 4.44Å; L33-V48 HydrophobicContact CB-CG1 4.1Å; L33-V48 HydrophobicContact CD1-CG1 4.16Å; L33-R49 CarbonylContact C-O 3.51Å; L33-R49 WeakPolarHBondContact CA-O 3.33Å; L33-V50 HydrophobicContact CD2-CB 4.33Å; L33-V50 HydrophobicContact CD2-CG2 3.71Å; L33-V259 HydrophobicContact CD1-CB 4.48Å; L33-V259 HydrophobicContact CD1-CG1 4.21Å |
| 34 | V | 95.5 | Very high | 87.5 | Confident | 26 Ų | 26 | 59.8 Ų | 59.8 | 16% | 0.158 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 124.8 | 167.1 | -177 | 0 | 0 | 0 | 0 | 105.6 | V20 E36 V48 R49 A51 | V20-V34 HydrophobicContact CG2-CG1 4.47Å; V20-V34 HydrophobicContact CG2-CG2 4.18Å; V34-E36 HydrophobicContact CG1-CG 4.39Å; V34-V48 WeakPolarHBondContact O-CA 3.25Å; V34-R49 HydrophobicContact CB-CG 3.99Å; V34-R49 PolarHBondContact N-O 3.01Å; V34-R49 PolarHBondContact O-N 3.09Å; V34-A51 HydrophobicContact CG2-CB 3.81Å |
| 35 | F | 94.5 | Very high | 86.7 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 139.7 | 176 | 56.7 | -86.8 | 0 | 0 | 0 | 108.7 | M1 Y19 C21 S47 V48 F249 L251 I261 | M1-F35 HydrophobicContact SD-CB 4.29Å; Y19-F35 WeakPolarHBondContact CB-O 3.3Å; Y19-F35 AromaticContact CD1-CE2 3.81Å; Y19-F35 HydrophobicContact CD1-CE2 3.81Å; Y19-F35 HydrophobicContact CD1-CZ 4.36Å; Y19-F35 HydrophobicContact CG-CD2 4.41Å; Y19-F35 HydrophobicContact CG-CE2 4.07Å; Y19-F35 PolarHBondContact O-N 2.9Å; Y19-F35 VanDerWaalsContact O-O 3.12Å; C21-F35 HydrophobicContact CB-CE1 3.98Å; F35-S47 CarbonylContact C-O 3.58Å; F35-S47 WeakPolarHBondContact CA-O 3.5Å; F35-V48 HydrophobicContact CB-CG2 3.94Å; F35-F249 HydrophobicContact CD2-CD2 4.48Å; F35-F249 HydrophobicContact CE2-CB 4.15Å; F35-F249 AromaticContact CE2-CD2 3.85Å; F35-F249 HydrophobicContact CE2-CD2 3.85Å; F35-F249 HydrophobicContact CE2-CE2 4.47Å; F35-F249 AromaticContact CE2-CG 3.97Å; F35-F249 HydrophobicContact CE2-CG 3.97Å; F35-L251 HydrophobicContact CE1-CD1 4.25Å; F35-L251 HydrophobicContact CE1-CD2 4.06Å; F35-L251 HydrophobicContact CE2-CD2 4.37Å; F35-L251 HydrophobicContact CZ-CD1 4.33Å; F35-L251 HydrophobicContact CZ-CD2 3.9Å; F35-I261 HydrophobicContact CB-CD1 3.63Å; F35-I261 HydrophobicContact CD1-CD1 3.65Å; F35-I261 HydrophobicContact CD2-CD1 4.38Å; F35-I261 HydrophobicContact CD2-CG2 3.84Å; F35-I261 HydrophobicContact CE1-CD1 4.37Å; F35-I261 HydrophobicContact CE2-CG2 4.2Å; F35-I261 HydrophobicContact CG-CD1 3.65Å; F35-I261 HydrophobicContact CG-CG2 4.16Å |
| 36 | E | 88.2 | Confident | 86.2 | Confident | 74 Ų | 74 | 67.5 Ų | 67.5 | 35% | 0.346 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 133.6 | -176.6 | -67.1 | 174.5 | -160.3 | 0 | 0 | 107.4 | V34 P46 S47 R49 | V34-E36 HydrophobicContact CG1-CG 4.39Å; E36-P46 WeakPolarHBondContact O-CA 3.36Å; E36-S47 PolarHBondContact N-O 2.75Å; E36-S47 PolarHBondContact O-N 3.14Å; E36-S47 VanDerWaalsContact O-N 3.11Å; E36-R49 IonicContact OE1-CZ 3.15Å; E36-R49 IonicContact OE1-NE 3.52Å; E36-R49 IonicContact OE1-NH2 3.79Å; E36-R49 PolarHBondContact OE1-NH2 2.84Å |
| 37 | D | 82 | Confident | 85.9 | Confident | 64 Ų | 64 | 66.9 Ų | 66.9 | 34% | 0.342 | 34% | 0.343 | S | S | . | . | trans | -67.2 | 161.6 | 176.4 | -160.8 | 6.7 | 0 | 0 | 0 | 111 | N39 F249 | D37-N39 PolarHBondContact O-N 2.97Å; D37-F249 HydrophobicContact CB-CE2 4.47Å; D37-F249 HydrophobicContact CB-CZ 3.82Å | ||
| 38 | S | 77.8 | Confident | 85.8 | Confident | 57 Ų | 57 | 66.1 Ų | 66.1 | 40% | 0.399 | 34% | 0.34 | S | S | . | . | trans | -59.8 | 123.5 | 170.5 | 53.5 | 0 | 0 | 0 | 0 | 109.9 | Q44 | S38-Q44 VanDerWaalsContact CA-O 3.32Å; S38-Q44 WeakPolarHBondContact CA-O 3.35Å | ||
| 39 | N | 74.1 | Confident | 85.7 | Confident | 52 Ų | 52 | 73 Ų | 73 | 28% | 0.278 | 37% | 0.366 | S | S | . | . | B | Isolated β-bridge | trans | -98.2 | 100.5 | 174 | -171.4 | -26.6 | 0 | 0 | 0 | 108.5 | D37 E41 K42 M43 Q44 | D37-N39 PolarHBondContact O-N 2.97Å; N39-E41 VanDerWaalsContact C-N 3.28Å; N39-E41 PolarHBondContact O-N 2.86Å; N39-E41 WeakPolarHBondContact OD1-CB 3.05Å; N39-E41 PolarHBondContact OD1-N 3.33Å; N39-E41 VanDerWaalsContact OD1-N 3.15Å; N39-K42 HydrophobicContact CB-CB 4.18Å; N39-K42 CarbonylContact O-C 3.57Å; N39-K42 PolarHBondContact O-N 3Å; N39-K42 PolarHBondContact OD1-N 2.9Å; N39-M43 WeakPolarHBondContact O-CA 2.81Å; N39-M43 PolarHBondContact O-N 2.83Å; N39-Q44 HydrophobicContact CB-CB 4.44Å; N39-Q44 PolarHBondContact N-O 3.22Å; N39-Q44 VanDerWaalsContact N-O 3.12Å; N39-Q44 PolarHBondContact O-N 2.91Å; N39-Q44 VanDerWaalsContact O-N 3.11Å |
| 40 | E | 66.4 | Low | 85.7 | Confident | 178 Ų | 178 | 72 Ų | 72 | 83% | 0.832 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -39.5 | 179.1 | -66.6 | -173 | 167.1 | 0 | 0 | 111.9 | K42 M43 | E40-K42 VanDerWaalsContact C-N 3.3Å; E40-K42 PolarHBondContact O-N 2.97Å; E40-M43 PolarHBondContact O-N 3.24Å |
| 41 | E | 72.8 | Confident | 85.7 | Confident | 188 Ų | 188 | 74.5 Ų | 74.5 | 88% | 0.879 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -33.4 | 179.3 | -61.8 | -174.2 | 160.9 | 0 | 0 | 112.6 | N39 | N39-E41 VanDerWaalsContact C-N 3.28Å; N39-E41 PolarHBondContact O-N 2.86Å; N39-E41 WeakPolarHBondContact OD1-CB 3.05Å; N39-E41 PolarHBondContact OD1-N 3.33Å; N39-E41 VanDerWaalsContact OD1-N 3.15Å |
| 42 | K | 77 | Confident | 85.7 | Confident | 136 Ų | 136 | 75.3 Ų | 75.3 | 59% | 0.591 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -1.2 | 178.3 | -66.4 | -177.5 | -177.7 | 170.7 | 0 | 113.3 | N39 E40 Q44 | N39-K42 HydrophobicContact CB-CB 4.18Å; N39-K42 CarbonylContact O-C 3.57Å; N39-K42 PolarHBondContact O-N 3Å; N39-K42 PolarHBondContact OD1-N 2.9Å; E40-K42 VanDerWaalsContact C-N 3.3Å; E40-K42 PolarHBondContact O-N 2.97Å; K42-Q44 HydrophobicContact CB-CB 4.45Å; K42-Q44 HydrophobicContact CB-CG 3.98Å; K42-Q44 PolarHBondContact O-N 3.02Å |
| 43 | M | 72.2 | Confident | 85.7 | Confident | 181 Ų | 181 | 79 Ų | 79 | 89% | 0.892 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 35.9 | -173.3 | -149.5 | 164.5 | -166.1 | 0 | 0 | 112.7 | N39 E40 | N39-M43 WeakPolarHBondContact O-CA 2.81Å; N39-M43 PolarHBondContact O-N 2.83Å; E40-M43 PolarHBondContact O-N 3.24Å |
| 44 | Q | 76.8 | Confident | 85.6 | Confident | 100 Ų | 100 | 82.8 Ų | 82.8 | 47% | 0.467 | 43% | 0.426 | S | S | . | . | B | Isolated β-bridge | trans | -94.7 | 126.2 | -178.5 | -77.6 | 175.9 | -1.6 | 0 | 0 | 109.8 | S38 N39 K42 | S38-Q44 VanDerWaalsContact CA-O 3.32Å; S38-Q44 WeakPolarHBondContact CA-O 3.35Å; N39-Q44 HydrophobicContact CB-CB 4.44Å; N39-Q44 PolarHBondContact N-O 3.22Å; N39-Q44 VanDerWaalsContact N-O 3.12Å; N39-Q44 PolarHBondContact O-N 2.91Å; N39-Q44 VanDerWaalsContact O-N 3.11Å; K42-Q44 HydrophobicContact CB-CB 4.45Å; K42-Q44 HydrophobicContact CB-CG 3.98Å; K42-Q44 PolarHBondContact O-N 3.02Å |
| 45 | P | 80.6 | Confident | 85.5 | Confident | 97 Ų | 97 | 88.5 Ų | 88.5 | 63% | 0.63 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 157.4 | 175.9 | 30.4 | -34.8 | 0 | 0 | 0 | 110.4 | S47 | P45-S47 PolarHBondContact O-N 3.46Š|
| 46 | P | 86.6 | Confident | 85.5 | Confident | 64 Ų | 64 | 89.1 Ų | 89.1 | 42% | 0.416 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 133.4 | 176.8 | 30.2 | -34 | 0 | 0 | 0 | 109 | M1 E36 | M1-P46 HydrophobicContact CE-CB 3.83Å; M1-P46 HydrophobicContact CG-CB 3.71Å; M1-P46 HydrophobicContact CG-CG 4.17Å; M1-P46 HydrophobicContact SD-CB 3.74Å; E36-P46 WeakPolarHBondContact O-CA 3.36Å |
| 47 | S | 89.3 | Confident | 85.7 | Confident | 54 Ų | 54 | 94.2 Ų | 94.2 | 38% | 0.378 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 150.4 | -171.2 | 75.1 | 0 | 0 | 0 | 0 | 112.2 | F35 E36 P45 | F35-S47 CarbonylContact C-O 3.58Å; F35-S47 WeakPolarHBondContact CA-O 3.5Å; E36-S47 PolarHBondContact N-O 2.75Å; E36-S47 PolarHBondContact O-N 3.14Å; E36-S47 VanDerWaalsContact O-N 3.11Å; P45-S47 PolarHBondContact O-N 3.46Å |
| 48 | V | 93.2 | Very high | 86.4 | Confident | 32 Ų | 32 | 95.2 Ų | 95.2 | 19% | 0.194 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 130.2 | 176.8 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | M1 F3 L33 V34 F35 I261 | M1-V48 HydrophobicContact CB-CG2 3.53Å; M1-V48 HydrophobicContact CG-CG2 4.07Å; M1-V48 HydrophobicContact SD-CG2 3.53Å; M1-V48 VanDerWaalsContact SD-CG2 3.53Å; F3-V48 HydrophobicContact CB-CG1 4.05Å; F3-V48 HydrophobicContact CD2-CG1 4.35Å; F3-V48 HydrophobicContact CG-CG1 4.32Å; L33-V48 HydrophobicContact CB-CG1 4.1Å; L33-V48 HydrophobicContact CD1-CG1 4.16Å; V34-V48 WeakPolarHBondContact O-CA 3.25Å; F35-V48 HydrophobicContact CB-CG2 3.94Å; V48-I261 HydrophobicContact CG1-CD1 4.36Å; V48-I261 HydrophobicContact CG2-CD1 3.93Å |
| 49 | R | 93.4 | Very high | 87.2 | Confident | 145 Ų | 145 | 92.9 Ų | 92.9 | 55% | 0.547 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 152.5 | 177.5 | 62.5 | 179.8 | 170 | 141.1 | -6.5 | 111.3 | L33 V34 E36 | L33-R49 CarbonylContact C-O 3.51Å; L33-R49 WeakPolarHBondContact CA-O 3.33Å; V34-R49 HydrophobicContact CB-CG 3.99Å; V34-R49 PolarHBondContact N-O 3.01Å; V34-R49 PolarHBondContact O-N 3.09Å; E36-R49 IonicContact OE1-CZ 3.15Å; E36-R49 IonicContact OE1-NE 3.52Å; E36-R49 IonicContact OE1-NH2 3.79Å; E36-R49 PolarHBondContact OE1-NH2 2.84Å |
| 50 | V | 95 | Very high | 88.3 | Confident | 55 Ų | 55 | 90.4 Ų | 90.4 | 33% | 0.333 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 115.8 | 175.2 | -174.9 | 0 | 0 | 0 | 0 | 109 | F3 L32 L33 W52 Q53 | F3-V50 HydrophobicContact CE1-CG2 3.99Å; F3-V50 HydrophobicContact CE2-CG2 3.64Å; F3-V50 HydrophobicContact CZ-CG2 3.2Å; L32-V50 CarbonylContact O-C 3.46Å; L33-V50 HydrophobicContact CD2-CB 4.33Å; L33-V50 HydrophobicContact CD2-CG2 3.71Å; V50-W52 WeakPolarHBondContact CG1-O 2.86Å; V50-Q53 HydrophobicContact CG1-CB 4.2Å |
| 51 | A | 94.9 | Very high | 89.6 | Confident | 54 Ų | 54 | 84.6 Ų | 84.6 | 45% | 0.446 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | -45.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | L32 V34 | L32-A51 HydrophobicContact CB-CB 4.31Å; L32-A51 HydrophobicContact CD2-CB 3.91Å; L32-A51 HydrophobicContact CG-CB 4.4Å; L32-A51 PolarHBondContact O-N 3.26Å; V34-A51 HydrophobicContact CG2-CB 3.81Å |
| 52 | W | 96.8 | Very high | 90.7 | Very high | 17 Ų | 17 | 76 Ų | 76 | 6% | 0.064 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 161.1 | 170.2 | 51.6 | -102.8 | 0 | 0 | 0 | 111.4 | M30 G31 L32 V50 K54 T86 E87 G89 | M30-W52 HydrophobicContact CE-CH2 4.08Å; M30-W52 HydrophobicContact CG-CH2 4.45Å; M30-W52 HydrophobicContact CG-CZ3 4.2Å; M30-W52 HydrophobicContact SD-CH2 4.36Å; M30-W52 HydrophobicContact SD-CZ3 4.47Å; G31-W52 CarbonylContact C-O 3.57Å; G31-W52 VanDerWaalsContact CA-O 3.31Å; G31-W52 WeakPolarHBondContact CA-O 3.19Å; L32-W52 HydrophobicContact CB-CD2 3.72Å; L32-W52 HydrophobicContact CB-CE3 4.22Å; L32-W52 HydrophobicContact CB-CG 4.19Å; L32-W52 HydrophobicContact CB-CH2 4.07Å; L32-W52 HydrophobicContact CB-CZ2 3.58Å; L32-W52 HydrophobicContact CB-CZ3 4.37Å; L32-W52 HydrophobicContact CD1-CZ2 4.16Å; L32-W52 HydrophobicContact CD2-CZ2 4.35Å; L32-W52 HydrophobicContact CG-CZ2 4.26Å; L32-W52 PolarHBondContact N-O 3.16Å; V50-W52 WeakPolarHBondContact CG1-O 2.86Å; W52-K54 HydrophobicContact CE3-CG 3.85Å; W52-K54 HydrophobicContact CZ3-CG 4.2Å; W52-T86 PolarHBondContact NE1-O 2.77Å; W52-E87 VanDerWaalsContact CD1-O 3.32Å; W52-G89 VanDerWaalsContact CE2-CA 3.46Å |
| 53 | Q | 95.5 | Very high | 91.6 | Very high | 85 Ų | 85 | 70 Ų | 70 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 131.8 | 172.4 | -170.4 | 177.1 | -46.1 | 0 | 0 | 109.6 | M30 V50 | M30-Q53 CarbonylContact O-C 3.5Å; M30-Q53 WeakPolarHBondContact O-CA 3.34Å; V50-Q53 HydrophobicContact CG1-CB 4.2Å |
| 54 | K | 95.2 | Very high | 92.7 | Very high | 79 Ų | 79 | 62 Ų | 62 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 160.4 | 178.7 | -54.8 | -63.6 | 179.4 | -165.2 | 0 | 109.2 | R29 M30 W52 S88 G89 | R29-K54 CarbonylContact C-O 3.58Å; R29-K54 WeakPolarHBondContact CA-O 3.14Å; M30-K54 PolarHBondContact N-O 3.41Å; M30-K54 PolarHBondContact O-N 2.82Å; W52-K54 HydrophobicContact CE3-CG 3.85Å; W52-K54 HydrophobicContact CZ3-CG 4.2Å; K54-S88 WeakPolarHBondContact CE-O 3.45Å; K54-G89 WeakPolarHBondContact CE-O 3.21Å |
| 55 | K | 94.3 | Very high | 93.6 | Very high | 145 Ų | 145 | 57.8 Ų | 57.8 | 63% | 0.63 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.6 | -178 | -168.5 | 168.1 | -175.4 | 172 | 0 | 111.9 | ||
| 56 | F | 93.6 | Very high | 94.3 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 6% | 0.061 | 27% | 0.269 | C | S | . | . | trans | -87.6 | 163.6 | 168.2 | -73.8 | -109.6 | 0 | 0 | 0 | 110 | G28 M30 Q58 V60 A74 C82 R84 | G28-F56 WeakPolarHBondContact O-CB 3.15Å; G28-F56 PolarHBondContact O-N 2.89Å; M30-F56 HydrophobicContact CB-CD2 4.13Å; M30-F56 HydrophobicContact CB-CE2 3.86Å; M30-F56 HydrophobicContact CG-CE2 4.41Å; M30-F56 HydrophobicContact SD-CE2 3.62Å; M30-F56 HydrophobicContact SD-CZ 4.07Å; F56-Q58 VanDerWaalsContact C-N 3.27Å; F56-Q58 WeakPolarHBondContact CB-O 3.38Å; F56-Q58 PolarHBondContact O-N 2.94Å; F56-V60 HydrophobicContact CB-CG2 4.19Å; F56-V60 HydrophobicContact CD2-CG2 3.74Å; F56-V60 HydrophobicContact CE2-CG2 4.3Å; F56-V60 HydrophobicContact CG-CG2 4Å; F56-A74 HydrophobicContact CE1-CB 4.32Å; F56-A74 HydrophobicContact CE2-CB 4.4Å; F56-A74 HydrophobicContact CZ-CB 3.74Å; F56-C82 HydrophobicContact CE1-CB 4Å; F56-C82 HydrophobicContact CZ-CB 4.28Å; F56-R84 VanDerWaalsContact CE2-NE 3.32Å; F56-R84 VanDerWaalsContact CE2-NH2 3.26Å; F56-R84 VanDerWaalsContact CZ-NE 3.28Å | ||
| 57 | K | 92.8 | Very high | 94.4 | Very high | 182 Ų | 182 | 53.3 Ų | 53.3 | 79% | 0.791 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -73.3 | -20.9 | -178.8 | -65.9 | -174.2 | 174.7 | -171.7 | 0 | 113.4 | ||
| 58 | Q | 95.9 | Very high | 94.5 | Very high | 85 Ų | 85 | 54.5 Ų | 54.5 | 40% | 0.397 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -148 | 170.4 | 179.1 | -66.7 | -169.8 | -7.1 | 0 | 0 | 108.9 | G28 F56 V60 R77 N78 | G28-Q58 VanDerWaalsContact CA-O 3.23Å; G28-Q58 WeakPolarHBondContact CA-O 3.39Å; F56-Q58 VanDerWaalsContact C-N 3.27Å; F56-Q58 WeakPolarHBondContact CB-O 3.38Å; F56-Q58 PolarHBondContact O-N 2.94Å; Q58-V60 PolarHBondContact O-N 2.72Å; Q58-R77 HydrophobicContact CB-CB 4.1Å; Q58-R77 VanDerWaalsContact OE1-C 3.25Å; Q58-N78 HydrophobicContact CB-CB 4.13Å; Q58-N78 HydrophobicContact CG-CB 3.97Å |
| 59 | A | 95.9 | Very high | 94.5 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | trans | -37.5 | 128.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | V26 S76 R77 | V26-A59 HydrophobicContact CG2-CB 4.28Å; V26-A59 WeakPolarHBondContact O-CA 3.09Å; V26-A59 WeakPolarHBondContact O-CB 3.12Å; V26-A59 PolarHBondContact O-N 3.49Å; A59-S76 CarbonylContact O-C 3.49Å; A59-S76 WeakPolarHBondContact O-CA 3.35Å; A59-S76 WeakPolarHBondContact O-CB 3.42Å; A59-R77 HydrophobicContact CB-CB 4.18Å; A59-R77 PolarHBondContact O-N 3.4Å | ||
| 60 | V | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 126.9 | 167.1 | -176.5 | 0 | 0 | 0 | 0 | 106.7 | T10 C25 M30 F56 Q58 V63 A74 I75 | T10-V60 PolarHBondContact OG1-O 2.95Å; C25-V60 PolarHBondContact O-N 3.03Å; C25-V60 VanDerWaalsContact O-N 3.07Å; M30-V60 HydrophobicContact CB-CG2 4.26Å; F56-V60 HydrophobicContact CB-CG2 4.19Å; F56-V60 HydrophobicContact CD2-CG2 3.74Å; F56-V60 HydrophobicContact CE2-CG2 4.3Å; F56-V60 HydrophobicContact CG-CG2 4Å; Q58-V60 PolarHBondContact O-N 2.72Å; V60-V63 HydrophobicContact CG1-CG1 3.61Å; V60-A74 HydrophobicContact CG1-CB 4.31Å; V60-I75 CarbonylContact C-O 3.57Å; V60-I75 WeakPolarHBondContact CA-O 3.32Å |
| 61 | R | 94 | Very high | 94.6 | Very high | 56 Ų | 56 | 48.9 Ų | 48.9 | 21% | 0.211 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -25.3 | -172.3 | -73.7 | -64.6 | -168.5 | -179.3 | -1.2 | 113.8 | I75 R77 P103 | R61-I75 HydrophobicContact CB-CD1 4.35Å; R61-I75 HydrophobicContact CB-CG1 4.38Å; R61-I75 PolarHBondContact N-O 2.92Å; R61-R77 HydrophobicContact CG-CB 4.48Å; R61-P103 WeakPolarHBondContact CB-O 3.12Å |
| 62 | G | 94.2 | Very high | 94.7 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 7% | 0.072 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 145.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | A74 I75 | G62-A74 WeakPolarHBondContact O-CA 3.33Å; G62-I75 VanDerWaalsContact N-CG1 3.35Å; G62-I75 WeakPolarHBondContact O-CG1 3.47Å; G62-I75 PolarHBondContact O-N 2.96Å |
| 63 | V | 96.5 | Very high | 94.7 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 7% | 0.067 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 143.2 | 178.6 | -69 | 0 | 0 | 0 | 0 | 107.9 | C11 A13 T22 M30 V60 F73 A74 | C11-V63 HydrophobicContact CB-CG2 4.1Å; A13-V63 HydrophobicContact CB-CG2 4.28Å; T22-V63 HydrophobicContact CG2-CB 3.79Å; T22-V63 HydrophobicContact CG2-CG2 3.73Å; M30-V63 HydrophobicContact CE-CG1 3.91Å; V60-V63 HydrophobicContact CG1-CG1 3.61Å; V63-F73 VanDerWaalsContact CA-O 3.27Å; V63-F73 WeakPolarHBondContact CA-O 3.27Å; V63-A74 HydrophobicContact CG1-CB 4.06Å |
| 64 | C | 95.4 | Very high | 94.8 | Very high | 12 Ų | 12 | 41.5 Ų | 41.5 | 8% | 0.081 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 148.6 | 171.7 | 74.9 | 0 | 0 | 0 | 0 | 109.3 | V72 F73 L106 | C64-V72 WeakPolarHBondContact O-CG1 3.46Å; C64-F73 PolarHBondContact N-O 3.09Å; C64-F73 PolarHBondContact O-N 3.49Å; C64-L106 HydrophobicContact CB-CD2 4.43Å; C64-L106 HydrophobicContact CB-CG 4.36Å |
| 65 | F | 96.2 | Very high | 94.8 | Very high | 12 Ų | 12 | 37.8 Ų | 37.8 | 5% | 0.053 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 148 | 168.4 | -73.5 | -86 | 0 | 0 | 0 | 110.1 | A13 A14 H15 T16 V20 T22 L32 V72 T86 A108 | A13-F65 HydrophobicContact CB-CD2 4.05Å; A13-F65 HydrophobicContact CB-CE2 4.35Å; A13-F65 WeakPolarHBondContact O-CE2 3.41Å; A14-F65 VanDerWaalsContact C-CD2 3.49Å; A14-F65 WeakPolarHBondContact O-CD2 3.28Å; H15-F65 HydrophobicContact CB-CD2 4.4Å; H15-F65 HydrophobicContact CB-CE1 4.3Å; H15-F65 HydrophobicContact CB-CE2 4.09Å; H15-F65 HydrophobicContact CB-CZ 4.05Å; H15-F65 AromaticContact CD2-CD1 3.55Å; H15-F65 AromaticContact CD2-CE1 3.54Å; T16-F65 HydrophobicContact CG2-CB 4.43Å; V20-F65 HydrophobicContact CG1-CZ 4.45Å; T22-F65 HydrophobicContact CG2-CD2 4.3Å; T22-F65 HydrophobicContact CG2-CE2 3.69Å; T22-F65 HydrophobicContact CG2-CZ 3.99Å; L32-F65 HydrophobicContact CD1-CE1 4.01Å; L32-F65 HydrophobicContact CD1-CZ 3.65Å; F65-V72 HydrophobicContact CD1-CG2 3.6Å; F65-V72 HydrophobicContact CE1-CG2 3.35Å; F65-V72 HydrophobicContact CZ-CG2 4.15Å; F65-T86 HydrophobicContact CD1-CG2 4.49Å; F65-T86 HydrophobicContact CE1-CG2 3.82Å; F65-A108 WeakPolarHBondContact O-CB 3.2Å |
| 66 | H | 94.5 | Very high | 94.9 | Very high | 22 Ų | 22 | 30.9 Ų | 30.9 | 10% | 0.102 | 15% | 0.154 | C | C | . | . | trans | -68.4 | 148.1 | 160.8 | -172.7 | -100.2 | 0 | 0 | 0 | 108.6 | D68 G69 S71 F73 D111 | H66-D68 IonicContact CE1-OD1 3.41Å; H66-D68 IonicContact CE1-OD2 2.84Å; H66-D68 PolarHBondContact CE1-OD2 2.91Å; H66-D68 IonicContact CG-OD1 3.89Å; H66-D68 PolarHBondContact ND1-N 3.05Å; H66-D68 IonicContact ND1-OD1 3.74Å; H66-D68 PolarHBondContact ND1-OD1 3.02Å; H66-D68 IonicContact ND1-OD2 3.98Å; H66-D68 PolarHBondContact ND1-OD2 3.44Å; H66-D68 VanDerWaalsContact ND1-OD2 3.15Å; H66-D68 PolarHBondContact O-N 3.33Å; H66-D68 VanDerWaalsContact O-N 3.13Å; H66-G69 WeakPolarHBondContact O-CA 3.5Å; H66-G69 PolarHBondContact O-N 2.71Å; H66-S71 WeakPolarHBondContact CB-O 3.23Å; H66-S71 PolarHBondContact N-O 2.67Å; H66-F73 HydrophobicContact CB-CD2 4.37Å; H66-F73 HydrophobicContact CB-CE2 3.69Å; H66-F73 AromaticContact CD2-CE2 3.69Å; H66-D111 VanDerWaalsContact NE2-C 3.27Å; H66-D111 PolarHBondContact NE2-O 2.83Å | ||
| 67 | P | 90.1 | Very high | 95 | Very high | 45 Ų | 45 | 37 Ų | 37 | 29% | 0.292 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -31.5 | -177.5 | -30.7 | 38.7 | 0 | 0 | 0 | 114.8 | T16 G69 D111 | T16-P67 PolarHBondContact OG1-O 2.82Å; P67-G69 PolarHBondContact O-N 2.83Å; P67-D111 VanDerWaalsContact CB-OD1 3.24Å; P67-D111 WeakPolarHBondContact CB-OD1 3.42Å |
| 68 | D | 90.9 | Very high | 95.1 | Very high | 79 Ų | 79 | 30.3 Ų | 30.3 | 42% | 0.422 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -9.6 | 174.8 | 72.7 | 1.7 | 0 | 0 | 0 | 114.5 | H66 L70 | H66-D68 IonicContact CE1-OD1 3.41Å; H66-D68 IonicContact CE1-OD2 2.84Å; H66-D68 PolarHBondContact CE1-OD2 2.91Å; H66-D68 IonicContact CG-OD1 3.89Å; H66-D68 PolarHBondContact ND1-N 3.05Å; H66-D68 IonicContact ND1-OD1 3.74Å; H66-D68 PolarHBondContact ND1-OD1 3.02Å; H66-D68 IonicContact ND1-OD2 3.98Å; H66-D68 PolarHBondContact ND1-OD2 3.44Å; H66-D68 VanDerWaalsContact ND1-OD2 3.15Å; H66-D68 PolarHBondContact O-N 3.33Å; H66-D68 VanDerWaalsContact O-N 3.13Å; D68-L70 HydrophobicContact CB-CG 4.41Å; D68-L70 PolarHBondContact O-N 2.77Å; D68-L70 VanDerWaalsContact O-N 3.16Å; D68-L70 WeakPolarHBondContact OD1-CB 3.22Å; D68-L70 PolarHBondContact OD1-N 2.89Å |
| 69 | G | 92.9 | Very high | 95 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 74.2 | -11.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | H15 H66 P67 S71 T86 | H15-G69 WeakPolarHBondContact NE2-CA 3.46Å; H15-G69 PolarHBondContact NE2-O 3.45Å; H66-G69 WeakPolarHBondContact O-CA 3.5Å; H66-G69 PolarHBondContact O-N 2.71Å; P67-G69 PolarHBondContact O-N 2.83Å; G69-S71 VanDerWaalsContact C-N 3.3Å; G69-S71 PolarHBondContact O-N 3.27Å; G69-T86 VanDerWaalsContact O-CB 3.22Å; G69-T86 WeakPolarHBondContact O-CB 3.3Å; G69-T86 PolarHBondContact O-OG1 2.81Å |
| 70 | L | 94.7 | Very high | 95 | Very high | 106 Ų | 106 | 30.3 Ų | 30.3 | 56% | 0.555 | 15% | 0.147 | S | C | * | . | S | Bend | trans | -76.6 | -20.1 | -174.1 | -60 | 178.5 | 0 | 0 | 0 | 113 | D68 T86 | D68-L70 HydrophobicContact CB-CG 4.41Å; D68-L70 PolarHBondContact O-N 2.77Å; D68-L70 VanDerWaalsContact O-N 3.16Å; D68-L70 WeakPolarHBondContact OD1-CB 3.22Å; D68-L70 PolarHBondContact OD1-N 2.89Å; L70-T86 PolarHBondContact O-N 3.12Å; L70-T86 PolarHBondContact O-OG1 2.83Å |
| 71 | S | 95.5 | Very high | 95 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 150 | -177.4 | -67.9 | 0 | 0 | 0 | 0 | 112.8 | H66 G69 Q83 R84 T86 | H66-S71 WeakPolarHBondContact CB-O 3.23Å; H66-S71 PolarHBondContact N-O 2.67Å; G69-S71 VanDerWaalsContact C-N 3.3Å; G69-S71 PolarHBondContact O-N 3.27Å; S71-Q83 PolarHBondContact OG-NE2 3.21Å; S71-R84 CarbonylContact C-O 3.58Å; S71-R84 VanDerWaalsContact CA-O 3.26Å; S71-R84 WeakPolarHBondContact CA-O 3.44Å; S71-T86 PolarHBondContact N-OG1 2.93Å |
| 72 | V | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 129.1 | 169.9 | -166.6 | 0 | 0 | 0 | 0 | 109.2 | T22 M30 C64 F65 Q83 R84 T86 | T22-V72 HydrophobicContact CG2-CG1 3.73Å; M30-V72 HydrophobicContact CE-CB 4Å; M30-V72 HydrophobicContact CE-CG1 3.3Å; C64-V72 WeakPolarHBondContact O-CG1 3.46Å; F65-V72 HydrophobicContact CD1-CG2 3.6Å; F65-V72 HydrophobicContact CE1-CG2 3.35Å; F65-V72 HydrophobicContact CZ-CG2 4.15Å; V72-Q83 CarbonylContact O-C 3.6Å; V72-Q83 WeakPolarHBondContact O-CA 3.34Å; V72-R84 PolarHBondContact N-O 3.19Å; V72-R84 PolarHBondContact O-N 2.92Å; V72-T86 WeakPolarHBondContact CG2-OG1 3.46Å |
| 73 | F | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 144 | 168.4 | -62.3 | -79.8 | 0 | 0 | 0 | 110 | V63 C64 H66 C82 Q83 L106 L114 W128 | V63-F73 VanDerWaalsContact CA-O 3.27Å; V63-F73 WeakPolarHBondContact CA-O 3.27Å; C64-F73 PolarHBondContact N-O 3.09Å; C64-F73 PolarHBondContact O-N 3.49Å; H66-F73 HydrophobicContact CB-CD2 4.37Å; H66-F73 HydrophobicContact CB-CE2 3.69Å; H66-F73 AromaticContact CD2-CE2 3.69Å; F73-C82 CarbonylContact C-O 3.31Å; F73-C82 WeakPolarHBondContact CA-O 3.24Å; F73-Q83 HydrophobicContact CD1-CB 3.85Å; F73-Q83 HydrophobicContact CD1-CG 4.16Å; F73-Q83 HydrophobicContact CE1-CB 3.62Å; F73-Q83 HydrophobicContact CE1-CG 3.66Å; F73-Q83 HydrophobicContact CZ-CG 4.08Å; F73-L106 HydrophobicContact CB-CD1 4.37Å; F73-L106 HydrophobicContact CB-CD2 3.78Å; F73-L114 HydrophobicContact CB-CD1 4.48Å; F73-L114 HydrophobicContact CD1-CD1 3.5Å; F73-L114 VanDerWaalsContact CD1-CD1 3.5Å; F73-L114 HydrophobicContact CD2-CD1 3.94Å; F73-L114 HydrophobicContact CD2-CD2 3.79Å; F73-L114 HydrophobicContact CE1-CD1 3.55Å; F73-L114 HydrophobicContact CE2-CD1 3.97Å; F73-L114 HydrophobicContact CE2-CD2 3.8Å; F73-L114 HydrophobicContact CE2-CG 4.42Å; F73-L114 HydrophobicContact CG-CD1 3.7Å; F73-L114 HydrophobicContact CG-CD2 4.3Å; F73-L114 HydrophobicContact CZ-CD1 3.79Å; F73-L114 HydrophobicContact CZ-CD2 4.36Å; F73-W128 HydrophobicContact CD1-CZ2 4.45Å; F73-W128 AromaticContact CE1-CD2 3.72Å; F73-W128 HydrophobicContact CE1-CD2 3.72Å; F73-W128 AromaticContact CE1-CE2 3.57Å; F73-W128 HydrophobicContact CE1-CE3 4.19Å; F73-W128 HydrophobicContact CE1-CG 4.04Å; F73-W128 HydrophobicContact CE1-CH2 4.34Å; F73-W128 AromaticContact CE1-CZ2 3.9Å; F73-W128 HydrophobicContact CE1-CZ2 3.9Å; F73-W128 HydrophobicContact CE1-CZ3 4.48Å; F73-W128 AromaticContact CE1-NE1 3.81Å; F73-W128 HydrophobicContact CZ-CD2 4.31Å; F73-W128 HydrophobicContact CZ-CG 4.14Å |
| 74 | A | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 136 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | M30 F56 V60 G62 V63 C82 | M30-A74 HydrophobicContact CE-CB 3.93Å; M30-A74 HydrophobicContact SD-CB 3.7Å; F56-A74 HydrophobicContact CE1-CB 4.32Å; F56-A74 HydrophobicContact CE2-CB 4.4Å; F56-A74 HydrophobicContact CZ-CB 3.74Å; V60-A74 HydrophobicContact CG1-CB 4.31Å; G62-A74 WeakPolarHBondContact O-CA 3.33Å; V63-A74 HydrophobicContact CG1-CB 4.06Å; A74-C82 PolarHBondContact N-O 2.89Å; A74-C82 PolarHBondContact O-N 3.11Å |
| 75 | I | 96.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 143.3 | 168.5 | 53.2 | 166.8 | 0 | 0 | 0 | 109.9 | V60 R61 G62 A80 L81 P103 Y104 A105 L106 T116 | V60-I75 CarbonylContact C-O 3.57Å; V60-I75 WeakPolarHBondContact CA-O 3.32Å; R61-I75 HydrophobicContact CB-CD1 4.35Å; R61-I75 HydrophobicContact CB-CG1 4.38Å; R61-I75 PolarHBondContact N-O 2.92Å; G62-I75 VanDerWaalsContact N-CG1 3.35Å; G62-I75 WeakPolarHBondContact O-CG1 3.47Å; G62-I75 PolarHBondContact O-N 2.96Å; I75-A80 VanDerWaalsContact CA-O 3.31Å; I75-A80 WeakPolarHBondContact CA-O 3.49Å; I75-L81 HydrophobicContact CG2-CB 4.28Å; I75-L81 HydrophobicContact CG2-CD1 3.55Å; I75-L81 HydrophobicContact CG2-CG 4.47Å; I75-P103 HydrophobicContact CB-CB 4.2Å; I75-P103 HydrophobicContact CB-CG 3.84Å; I75-P103 HydrophobicContact CD1-CB 3.81Å; I75-P103 HydrophobicContact CD1-CG 4.29Å; I75-P103 HydrophobicContact CG2-CB 4.3Å; I75-P103 HydrophobicContact CG2-CG 4.16Å; I75-Y104 WeakPolarHBondContact CD1-O 3.13Å; I75-A105 WeakPolarHBondContact CD1-O 3.44Å; I75-L106 HydrophobicContact CD1-CB 3.72Å; I75-L106 HydrophobicContact CG1-CB 3.84Å; I75-L106 HydrophobicContact CG1-CD2 4.32Å; I75-L106 HydrophobicContact CG2-CB 4.23Å; I75-L106 HydrophobicContact CG2-CD1 4.34Å; I75-L106 HydrophobicContact CG2-CD2 4.25Å; I75-T116 HydrophobicContact CG2-CG2 3.91Å |
| 76 | S | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 157.5 | 175.3 | 52.8 | 0 | 0 | 0 | 0 | 112.5 | A59 N78 R79 A80 | A59-S76 CarbonylContact O-C 3.49Å; A59-S76 WeakPolarHBondContact O-CA 3.35Å; A59-S76 WeakPolarHBondContact O-CB 3.42Å; S76-N78 PolarHBondContact O-N 2.92Å; S76-N78 PolarHBondContact OG-OD1 2.63Å; S76-R79 WeakPolarHBondContact O-CA 3.46Å; S76-R79 PolarHBondContact O-N 2.65Å; S76-A80 PolarHBondContact N-O 2.94Å |
| 77 | R | 95.4 | Very high | 95.4 | Very high | 144 Ų | 144 | 37.7 Ų | 37.7 | 54% | 0.543 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -26.8 | -178.4 | -174.5 | -177.2 | -176.9 | -162.8 | -0.4 | 113.7 | Q58 A59 R61 R79 A102 | Q58-R77 HydrophobicContact CB-CB 4.1Å; Q58-R77 VanDerWaalsContact OE1-C 3.25Å; A59-R77 HydrophobicContact CB-CB 4.18Å; A59-R77 PolarHBondContact O-N 3.4Å; R61-R77 HydrophobicContact CG-CB 4.48Å; R77-R79 PolarHBondContact O-N 3.49Å; R77-R79 VanDerWaalsContact O-N 3.12Å; R77-A102 HydrophobicContact CG-CB 4.18Å |
| 78 | N | 94.6 | Very high | 95.6 | Very high | 41 Ų | 41 | 38.1 Ų | 38.1 | 22% | 0.219 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 10.4 | 174.5 | 71.5 | -5.1 | 0 | 0 | 0 | 113.9 | Q58 S76 A80 | Q58-N78 HydrophobicContact CB-CB 4.13Å; Q58-N78 HydrophobicContact CG-CB 3.97Å; S76-N78 PolarHBondContact O-N 2.92Å; S76-N78 PolarHBondContact OG-OD1 2.63Å; N78-A80 VanDerWaalsContact C-N 3.3Å; N78-A80 PolarHBondContact O-N 3.32Å; N78-A80 WeakPolarHBondContact OD1-CB 3.46Å; N78-A80 PolarHBondContact OD1-N 3.1Å; N78-A80 VanDerWaalsContact OD1-N 3.09Å |
| 79 | R | 94.9 | Very high | 95.8 | Very high | 84 Ų | 84 | 34.3 Ų | 34.3 | 32% | 0.317 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 25.4 | 178.4 | -47.7 | 173.7 | -72.6 | -176.4 | -5.8 | 113.5 | S76 R77 M97 A98 H99 R100 R101 | S76-R79 WeakPolarHBondContact O-CA 3.46Å; S76-R79 PolarHBondContact O-N 2.65Å; R77-R79 PolarHBondContact O-N 3.49Å; R77-R79 VanDerWaalsContact O-N 3.12Å; R79-M97 HydrophobicContact CB-SD 4.22Å; R79-M97 PolarHBondContact NE-SD 3.09Å; R79-M97 PolarHBondContact NH2-SD 3.5Å; R79-M97 CarbonylContact O-C 3.57Å; R79-M97 VanDerWaalsContact O-CA 3.3Å; R79-M97 WeakPolarHBondContact O-CA 3.13Å; R79-M97 PolarHBondContact O-N 3.48Å; R79-A98 PolarHBondContact O-N 3.34Å; R79-H99 WeakPolarHBondContact CD-O 3.3Å; R79-R100 WeakPolarHBondContact CD-O 3.42Å; R79-R100 PolarHBondContact NH1-O 3.12Å; R79-R101 WeakPolarHBondContact CG-O 3.48Å |
| 80 | A | 96.1 | Very high | 95.9 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 7% | 0.066 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 133.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | I75 S76 N78 I95 | I75-A80 VanDerWaalsContact CA-O 3.31Å; I75-A80 WeakPolarHBondContact CA-O 3.49Å; S76-A80 PolarHBondContact N-O 2.94Å; N78-A80 VanDerWaalsContact C-N 3.3Å; N78-A80 PolarHBondContact O-N 3.32Å; N78-A80 WeakPolarHBondContact OD1-CB 3.46Å; N78-A80 PolarHBondContact OD1-N 3.1Å; N78-A80 VanDerWaalsContact OD1-N 3.09Å; A80-I95 WeakPolarHBondContact CA-O 3.18Å |
| 81 | L | 96.2 | Very high | 96 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 109.4 | 164.4 | 171.6 | 60.6 | 0 | 0 | 0 | 106.7 | I75 C94 I95 A98 L106 T116 W126 W128 | I75-L81 HydrophobicContact CG2-CB 4.28Å; I75-L81 HydrophobicContact CG2-CD1 3.55Å; I75-L81 HydrophobicContact CG2-CG 4.47Å; L81-C94 WeakPolarHBondContact O-CA 3.14Å; L81-C94 PolarHBondContact O-SG 2.53Å; L81-C94 VanDerWaalsContact O-SG 3.39Å; L81-I95 HydrophobicContact CD2-CD1 4.45Å; L81-I95 PolarHBondContact N-O 2.84Å; L81-I95 VanDerWaalsContact N-O 3.12Å; L81-I95 PolarHBondContact O-N 2.87Å; L81-A98 HydrophobicContact CB-CB 3.78Å; L81-L106 HydrophobicContact CD1-CD1 4Å; L81-T116 HydrophobicContact CD1-CG2 4.42Å; L81-T116 HydrophobicContact CD2-CG2 4.45Å; L81-W126 HydrophobicContact CD2-CD2 3.83Å; L81-W126 HydrophobicContact CD2-CE3 4.07Å; L81-W126 HydrophobicContact CD2-CG 4.2Å; L81-W126 HydrophobicContact CD2-CZ2 4.43Å; L81-W126 HydrophobicContact CD2-CZ3 4.46Å; L81-W128 HydrophobicContact CD2-CZ3 3.87Å; L81-W128 HydrophobicContact CG-CH2 4.3Å; L81-W128 HydrophobicContact CG-CZ3 4.08Å |
| 82 | C | 96.4 | Very high | 95.9 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 137.6 | -175.9 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | F56 F73 A74 R93 C94 | F56-C82 HydrophobicContact CE1-CB 4Å; F56-C82 HydrophobicContact CZ-CB 4.28Å; F73-C82 CarbonylContact C-O 3.31Å; F73-C82 WeakPolarHBondContact CA-O 3.24Å; A74-C82 PolarHBondContact N-O 2.89Å; A74-C82 PolarHBondContact O-N 3.11Å; C82-R93 CarbonylContact C-O 3.56Å; C82-R93 WeakPolarHBondContact CA-O 3.3Å; C82-C94 VanDerWaalsContact CA-SG 3.59Å; C82-C94 HydrophobicContact CB-CB 3.72Å; C82-C94 WeakPolarHBondContact CB-SG 3.28Å; C82-C94 WeakPolarHBondContact SG-CB 3.24Å; C82-C94 CovalentContact SG-SG 2.05Å; C82-C94 PolarHBondContact SG-SG 3.49Å |
| 83 | Q | 96 | Very high | 95.8 | Very high | 21 Ų | 21 | 50.1 Ų | 50.1 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 135.2 | 165 | -174.5 | -169.8 | 17.4 | 0 | 0 | 109.7 | S71 V72 F73 M92 R93 W128 | S71-Q83 PolarHBondContact OG-NE2 3.21Å; V72-Q83 CarbonylContact O-C 3.6Å; V72-Q83 WeakPolarHBondContact O-CA 3.34Å; F73-Q83 HydrophobicContact CD1-CB 3.85Å; F73-Q83 HydrophobicContact CD1-CG 4.16Å; F73-Q83 HydrophobicContact CE1-CB 3.62Å; F73-Q83 HydrophobicContact CE1-CG 3.66Å; F73-Q83 HydrophobicContact CZ-CG 4.08Å; Q83-M92 HydrophobicContact CG-CB 4.36Å; Q83-M92 HydrophobicContact CG-SD 4.2Å; Q83-M92 PolarHBondContact O-N 3.07Å; Q83-R93 HydrophobicContact CB-CB 4.48Å; Q83-R93 PolarHBondContact N-O 3.02Å; Q83-R93 PolarHBondContact O-N 3.44Å; Q83-W128 HydrophobicContact CB-CZ2 3.61Å; Q83-W128 VanDerWaalsContact CD-NE1 3.32Å |
| 84 | R | 96.9 | Very high | 95.7 | Very high | 22 Ų | 22 | 52.1 Ų | 52.1 | 8% | 0.083 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 148.9 | 173.9 | -65.6 | -179.7 | 176.3 | -94.8 | 4.2 | 109.7 | F56 S71 V72 G89 K90 | F56-R84 VanDerWaalsContact CE2-NE 3.32Å; F56-R84 VanDerWaalsContact CE2-NH2 3.26Å; F56-R84 VanDerWaalsContact CZ-NE 3.28Å; S71-R84 CarbonylContact C-O 3.58Å; S71-R84 VanDerWaalsContact CA-O 3.26Å; S71-R84 WeakPolarHBondContact CA-O 3.44Å; V72-R84 PolarHBondContact N-O 3.19Å; V72-R84 PolarHBondContact O-N 2.92Å; R84-G89 PolarHBondContact NH1-O 2.83Å; R84-K90 CarbonylContact C-O 3.56Å; R84-K90 VanDerWaalsContact CA-O 3.26Å; R84-K90 WeakPolarHBondContact CA-O 3.44Å |
| 85 | D | 96.9 | Very high | 95.5 | Very high | 45 Ų | 45 | 53.8 Ų | 53.8 | 24% | 0.241 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 132 | 169.6 | 177.4 | 78.4 | 0 | 0 | 0 | 110.1 | E87 S88 G89 K90 M92 | D85-E87 PolarHBondContact OD2-N 3.46Å; D85-S88 VanDerWaalsContact OD2-CB 3.27Å; D85-S88 WeakPolarHBondContact OD2-CB 3.33Å; D85-S88 PolarHBondContact OD2-N 3.32Å; D85-S88 PolarHBondContact OD2-OG 2.89Å; D85-G89 WeakPolarHBondContact O-CA 3.38Å; D85-G89 PolarHBondContact O-N 3.04Å; D85-K90 HydrophobicContact CB-CB 4.45Å; D85-K90 PolarHBondContact N-O 3.18Å; D85-M92 HydrophobicContact CB-CG 4.26Å; D85-M92 HydrophobicContact CB-SD 4.1Å |
| 86 | T | 96.7 | Very high | 95.4 | Very high | 11 Ų | 11 | 63.6 Ų | 63.6 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -41.4 | -176.4 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | L32 W52 F65 G69 L70 S71 V72 | L32-T86 HydrophobicContact CD1-CG2 4.43Å; L32-T86 HydrophobicContact CD2-CG2 4.25Å; L32-T86 VanDerWaalsContact CD2-O 3.29Å; L32-T86 WeakPolarHBondContact CD2-O 3.33Å; W52-T86 PolarHBondContact NE1-O 2.77Å; F65-T86 HydrophobicContact CD1-CG2 4.49Å; F65-T86 HydrophobicContact CE1-CG2 3.82Å; G69-T86 VanDerWaalsContact O-CB 3.22Å; G69-T86 WeakPolarHBondContact O-CB 3.3Å; G69-T86 PolarHBondContact O-OG1 2.81Å; L70-T86 PolarHBondContact O-N 3.12Å; L70-T86 PolarHBondContact O-OG1 2.83Å; S71-T86 PolarHBondContact N-OG1 2.93Å; V72-T86 WeakPolarHBondContact CG2-OG1 3.46Å |
| 87 | E | 95.2 | Very high | 95.2 | Very high | 168 Ų | 168 | 68.6 Ų | 68.6 | 79% | 0.785 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -45.1 | -175.2 | -64 | -175.5 | 168.1 | 0 | 0 | 112.6 | W52 D85 | W52-E87 VanDerWaalsContact CD1-O 3.32Å; D85-E87 PolarHBondContact OD2-N 3.46Å |
| 88 | S | 94.8 | Very high | 95 | Very high | 54 Ų | 54 | 61.8 Ų | 61.8 | 38% | 0.378 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -16.3 | -172.3 | 68.6 | 0 | 0 | 0 | 0 | 114.5 | K54 D85 K90 | K54-S88 WeakPolarHBondContact CE-O 3.45Å; D85-S88 VanDerWaalsContact OD2-CB 3.27Å; D85-S88 WeakPolarHBondContact OD2-CB 3.33Å; D85-S88 PolarHBondContact OD2-N 3.32Å; D85-S88 PolarHBondContact OD2-OG 2.89Å; S88-K90 PolarHBondContact O-N 2.9Å; S88-K90 WeakPolarHBondContact OG-CB 3.37Å; S88-K90 PolarHBondContact OG-N 2.92Å |
| 89 | G | 95.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | 65.5 | 12.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | W52 K54 R84 D85 | W52-G89 VanDerWaalsContact CE2-CA 3.46Å; K54-G89 WeakPolarHBondContact CE-O 3.21Å; R84-G89 PolarHBondContact NH1-O 2.83Å; D85-G89 WeakPolarHBondContact O-CA 3.38Å; D85-G89 PolarHBondContact O-N 3.04Å | ||
| 90 | K | 95.8 | Very high | 94.5 | Very high | 150 Ų | 150 | 65.1 Ų | 65.1 | 65% | 0.652 | 30% | 0.297 | S | S | * | . | trans | -68.5 | 132.6 | 179.9 | -175.9 | -179.4 | 177.1 | -175.8 | 0 | 109.5 | R84 D85 S88 M92 | R84-K90 CarbonylContact C-O 3.56Å; R84-K90 VanDerWaalsContact CA-O 3.26Å; R84-K90 WeakPolarHBondContact CA-O 3.44Å; D85-K90 HydrophobicContact CB-CB 4.45Å; D85-K90 PolarHBondContact N-O 3.18Å; S88-K90 PolarHBondContact O-N 2.9Å; S88-K90 WeakPolarHBondContact OG-CB 3.37Å; S88-K90 PolarHBondContact OG-N 2.92Å; K90-M92 PolarHBondContact O-N 3.44Å | ||
| 91 | K | 95.9 | Very high | 94.3 | Very high | 125 Ų | 125 | 69.5 Ų | 69.5 | 54% | 0.543 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 118 | 175.6 | -174.5 | -176 | 69.7 | -179.2 | 0 | 109.7 | C94 | K91-C94 HydrophobicContact CD-CB 4Å; K91-C94 HydrophobicContact CG-CB 4.38Å |
| 92 | M | 93.7 | Very high | 94.1 | Very high | 104 Ų | 104 | 70.3 Ų | 70.3 | 51% | 0.512 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -56.8 | 179.5 | -65.9 | 175.3 | 63.3 | 0 | 0 | 111 | Q83 D85 K90 | Q83-M92 HydrophobicContact CG-CB 4.36Å; Q83-M92 HydrophobicContact CG-SD 4.2Å; Q83-M92 PolarHBondContact O-N 3.07Å; D85-M92 HydrophobicContact CB-CG 4.26Å; D85-M92 HydrophobicContact CB-SD 4.1Å; K90-M92 PolarHBondContact O-N 3.44Å |
| 93 | R | 94.3 | Very high | 93.9 | Very high | 67 Ų | 67 | 70 Ų | 70 | 25% | 0.253 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 144 | -177.7 | 179.8 | 175 | -172.4 | -169.1 | 6.9 | 109.2 | C82 Q83 W128 C130 S131 | C82-R93 CarbonylContact C-O 3.56Å; C82-R93 WeakPolarHBondContact CA-O 3.3Å; Q83-R93 HydrophobicContact CB-CB 4.48Å; Q83-R93 PolarHBondContact N-O 3.02Å; Q83-R93 PolarHBondContact O-N 3.44Å; R93-W128 HydrophobicContact CB-CZ2 3.74Å; R93-W128 HydrophobicContact CG-CH2 4.23Å; R93-W128 HydrophobicContact CG-CZ2 3.6Å; R93-W128 PolarHBondContact NH1-O 3.35Å; R93-C130 PolarHBondContact NH1-O 3.26Å; R93-C130 PolarHBondContact NH2-O 2.9Å; R93-S131 PolarHBondContact NH2-O 3.28Å |
| 94 | C | 94.6 | Very high | 93.5 | Very high | 43 Ų | 43 | 70.6 Ų | 70.6 | 29% | 0.291 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 128.5 | 174.6 | -168.9 | 0 | 0 | 0 | 0 | 112.1 | L81 C82 K91 | L81-C94 WeakPolarHBondContact O-CA 3.14Å; L81-C94 PolarHBondContact O-SG 2.53Å; L81-C94 VanDerWaalsContact O-SG 3.39Å; C82-C94 VanDerWaalsContact CA-SG 3.59Å; C82-C94 HydrophobicContact CB-CB 3.72Å; C82-C94 WeakPolarHBondContact CB-SG 3.28Å; C82-C94 WeakPolarHBondContact SG-CB 3.24Å; C82-C94 CovalentContact SG-SG 2.05Å; C82-C94 PolarHBondContact SG-SG 3.49Å; K91-C94 HydrophobicContact CD-CB 4Å; K91-C94 HydrophobicContact CG-CB 4.38Å |
| 95 | I | 94.5 | Very high | 92.9 | Very high | 35 Ų | 35 | 69.7 Ų | 69.7 | 18% | 0.179 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120 | 176.1 | -54.5 | 171.2 | 0 | 0 | 0 | 107.4 | A80 L81 A98 W126 W128 P133 | A80-I95 WeakPolarHBondContact CA-O 3.18Å; L81-I95 HydrophobicContact CD2-CD1 4.45Å; L81-I95 PolarHBondContact N-O 2.84Å; L81-I95 VanDerWaalsContact N-O 3.12Å; L81-I95 PolarHBondContact O-N 2.87Å; I95-A98 HydrophobicContact CG2-CB 4.22Å; I95-W126 HydrophobicContact CD1-CE3 3.71Å; I95-W126 HydrophobicContact CD1-CZ3 3.5Å; I95-W126 HydrophobicContact CG2-CZ3 4.44Å; I95-W128 HydrophobicContact CD1-CH2 4.05Å; I95-W128 HydrophobicContact CD1-CZ3 3.67Å; I95-W128 HydrophobicContact CG1-CH2 4.22Å; I95-W128 HydrophobicContact CG1-CZ3 4.33Å; I95-P133 HydrophobicContact CD1-CB 4.39Å; I95-P133 HydrophobicContact CD1-CG 3.24Å; I95-P133 HydrophobicContact CG1-CG 4.23Å |
| 96 | R | 92.7 | Very high | 92.7 | Very high | 207 Ų | 207 | 68 Ų | 68 | 78% | 0.781 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 133.6 | 173.7 | -63.7 | 177 | 63.8 | 171.3 | -3.5 | 108.2 | ||
| 97 | M | 91.8 | Very high | 92.3 | Very high | 104 Ų | 104 | 69.5 Ų | 69.5 | 51% | 0.512 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 50.6 | -176.9 | -46.5 | -54 | -167.6 | 0 | 0 | 112.4 | R79 H99 | R79-M97 HydrophobicContact CB-SD 4.22Å; R79-M97 PolarHBondContact NE-SD 3.09Å; R79-M97 PolarHBondContact NH2-SD 3.5Å; R79-M97 CarbonylContact O-C 3.57Å; R79-M97 VanDerWaalsContact O-CA 3.3Å; R79-M97 WeakPolarHBondContact O-CA 3.13Å; R79-M97 PolarHBondContact O-N 3.48Å; M97-H99 PolarHBondContact O-N 2.89Å |
| 98 | A | 91.2 | Very high | 92 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 2% | 0.017 | 28% | 0.282 | C | S | . | . | trans | -56.4 | -39 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | R79 L81 I95 W126 | R79-A98 PolarHBondContact O-N 3.34Å; L81-A98 HydrophobicContact CB-CB 3.78Å; I95-A98 HydrophobicContact CG2-CB 4.22Å; A98-W126 HydrophobicContact CB-CH2 3.58Å; A98-W126 HydrophobicContact CB-CZ2 3.97Å; A98-W126 HydrophobicContact CB-CZ3 4.38Å; A98-W126 VanDerWaalsContact O-CH2 3.28Å; A98-W126 WeakPolarHBondContact O-CH2 3.34Å | ||
| 99 | H | 91.3 | Very high | 91.3 | Very high | 5 Ų | 5 | 61.8 Ų | 61.8 | 2% | 0.023 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -118.1 | 163.5 | 178.4 | -81 | -86.5 | 0 | 0 | 0 | 112 | R79 M97 R101 T116 D118 E122 S124 W126 | R79-H99 WeakPolarHBondContact CD-O 3.3Å; M97-H99 PolarHBondContact O-N 2.89Å; H99-R101 WeakPolarHBondContact CB-O 3.31Å; H99-T116 WeakPolarHBondContact NE2-CB 3.29Å; H99-T116 PolarHBondContact NE2-OG1 2.9Å; H99-D118 HydrophobicContact CB-CB 4.34Å; H99-E122 PolarHBondContact CE1-O 2.7Å; H99-S124 PolarHBondContact CE1-OG 2.82Å; H99-W126 AromaticContact NE2-CZ2 3.99Å |
| 100 | R | 89.2 | Confident | 90.7 | Very high | 190 Ų | 190 | 63.1 Ų | 63.1 | 72% | 0.717 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -68.8 | -40.1 | 171.2 | -67.3 | -177.1 | 177.7 | -156.4 | 0.5 | 110.5 | R79 | R79-R100 WeakPolarHBondContact CD-O 3.42Å; R79-R100 PolarHBondContact NH1-O 3.12Å |
| 101 | R | 91.8 | Very high | 90.2 | Very high | 100 Ų | 100 | 60.7 Ų | 60.7 | 38% | 0.377 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -118.1 | 179.8 | 175.1 | -63.1 | 174.5 | 165.8 | -118.4 | 8.6 | 111.8 | R79 H99 P103 D118 E119 | R79-R101 WeakPolarHBondContact CG-O 3.48Å; H99-R101 WeakPolarHBondContact CB-O 3.31Å; R101-P103 WeakPolarHBondContact O-CD 3.41Å; R101-D118 WeakPolarHBondContact CB-OD2 3.27Å; R101-E119 HydrophobicContact CB-CG 3.6Å; R101-E119 WeakPolarHBondContact CD-OE1 3.33Å; R101-E119 HydrophobicContact CG-CG 4.44Å; R101-E119 IonicContact CZ-OE1 3.84Å; R101-E119 IonicContact NH1-OE1 2.87Å; R101-E119 PolarHBondContact NH1-OE1 3.39Å |
| 102 | A | 91.6 | Very high | 89.8 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 13% | 0.132 | 26% | 0.257 | C | S | . | . | trans | -66.9 | 121.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | R77 E119 | R77-A102 HydrophobicContact CG-CB 4.18Å; A102-E119 PolarHBondContact O-N 2.88Å; A102-E119 VanDerWaalsContact O-N 3.1Å | ||
| 103 | P | 92.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 143.4 | 171.4 | 30.4 | -35.5 | 0 | 0 | 0 | 110.3 | R61 I75 R101 G117 | R61-P103 WeakPolarHBondContact CB-O 3.12Å; I75-P103 HydrophobicContact CB-CB 4.2Å; I75-P103 HydrophobicContact CB-CG 3.84Å; I75-P103 HydrophobicContact CD1-CB 3.81Å; I75-P103 HydrophobicContact CD1-CG 4.29Å; I75-P103 HydrophobicContact CG2-CB 4.3Å; I75-P103 HydrophobicContact CG2-CG 4.16Å; R101-P103 WeakPolarHBondContact O-CD 3.41Å; P103-G117 CarbonylContact C-O 3.54Å; P103-G117 WeakPolarHBondContact CA-O 3.48Å |
| 104 | Y | 85.9 | Confident | 89.5 | Confident | 33 Ų | 33 | 50.8 Ų | 50.8 | 13% | 0.129 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -41.5 | 177.3 | -154.8 | -96.4 | 0 | 0 | 0 | 111.7 | I75 G117 | I75-Y104 WeakPolarHBondContact CD1-O 3.13Å; Y104-G117 PolarHBondContact N-O 2.91Å |
| 105 | A | 86.3 | Confident | 89.2 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 142.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I75 T116 G117 I145 F148 | I75-A105 WeakPolarHBondContact CD1-O 3.44Å; A105-T116 VanDerWaalsContact O-CA 3.23Å; A105-T116 WeakPolarHBondContact O-CA 3.47Å; A105-G117 PolarHBondContact N-O 2.79Å; A105-G117 PolarHBondContact O-N 2.87Å; A105-I145 HydrophobicContact CB-CB 4.43Å; A105-I145 HydrophobicContact CB-CG2 3.96Å; A105-F148 HydrophobicContact CB-CD2 3.6Å; A105-F148 HydrophobicContact CB-CE2 3.46Å; A105-F148 VanDerWaalsContact CB-CE2 3.46Å |
| 106 | L | 91.7 | Very high | 89.1 | Confident | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 126 | 179.5 | 166.7 | 68.3 | 0 | 0 | 0 | 108.6 | C64 F73 I75 L81 A115 T116 | C64-L106 HydrophobicContact CB-CD2 4.43Å; C64-L106 HydrophobicContact CB-CG 4.36Å; F73-L106 HydrophobicContact CB-CD1 4.37Å; F73-L106 HydrophobicContact CB-CD2 3.78Å; I75-L106 HydrophobicContact CD1-CB 3.72Å; I75-L106 HydrophobicContact CG1-CB 3.84Å; I75-L106 HydrophobicContact CG1-CD2 4.32Å; I75-L106 HydrophobicContact CG2-CB 4.23Å; I75-L106 HydrophobicContact CG2-CD1 4.34Å; I75-L106 HydrophobicContact CG2-CD2 4.25Å; L81-L106 HydrophobicContact CD1-CD1 4Å; L106-A115 WeakPolarHBondContact CA-O 3.4Å; L106-T116 HydrophobicContact CB-CG2 4.23Å; L106-T116 HydrophobicContact CD1-CG2 3.46Å; L106-T116 VanDerWaalsContact CD1-CG2 3.46Å; L106-T116 HydrophobicContact CG-CG2 4.45Å |
| 107 | H | 88.3 | Confident | 88.9 | Confident | 41 Ų | 41 | 37.2 Ų | 37.2 | 19% | 0.19 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 136.2 | -179.6 | -179.2 | 48.7 | 0 | 0 | 0 | 111.8 | M109 L114 A115 F148 S150 | H107-M109 PolarHBondContact O-N 2.78Å; H107-L114 CarbonylContact O-C 3.57Å; H107-L114 WeakPolarHBondContact O-CA 3.33Å; H107-A115 PolarHBondContact N-O 2.83Å; H107-A115 PolarHBondContact O-N 2.99Å; H107-F148 HydrophobicContact CB-CB 3.65Å; H107-F148 HydrophobicContact CB-CD2 4.3Å; H107-F148 HydrophobicContact CB-CG 4.3Å; H107-S150 PolarHBondContact NE2-N 2.91Å; H107-S150 PolarHBondContact NE2-OG 2.9Å |
| 108 | A | 89.3 | Confident | 88.8 | Confident | 18 Ų | 18 | 32.3 Ų | 32.3 | 15% | 0.149 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 102.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | F65 L114 | F65-A108 WeakPolarHBondContact O-CB 3.2Å; A108-L114 HydrophobicContact CB-CD2 3.83Å |
| 109 | M | 79.7 | Confident | 88.5 | Confident | 43 Ų | 43 | 36.3 Ų | 36.3 | 21% | 0.212 | 17% | 0.171 | C | C | . | . | trans | -75.7 | -39.1 | -177.9 | -61.8 | 174.5 | 65.8 | 0 | 0 | 111.7 | H107 M113 A115 I125 V152 L157 | H107-M109 PolarHBondContact O-N 2.78Å; M109-M113 HydrophobicContact CB-CB 4.22Å; M109-M113 PolarHBondContact N-O 2.58Å; M109-A115 HydrophobicContact CG-CB 4.1Å; M109-A115 HydrophobicContact SD-CB 3.79Å; M109-I125 HydrophobicContact SD-CD1 3.94Å; M109-I125 HydrophobicContact SD-CG2 4.48Å; M109-V152 WeakPolarHBondContact O-CG2 3.39Å; M109-L157 HydrophobicContact CE-CD1 4.29Å; M109-L157 HydrophobicContact SD-CD1 4.4Å | ||
| 110 | S | 82.4 | Confident | 88.1 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -154.3 | -178.9 | 179.6 | 65.4 | 0 | 0 | 0 | 0 | 110.6 | T112 M113 | S110-T112 PolarHBondContact O-N 3.07Å; S110-T112 PolarHBondContact OG-N 2.92Å; S110-T112 PolarHBondContact OG-OG1 2.82Å; S110-M113 PolarHBondContact N-O 3.03Å; S110-M113 PolarHBondContact O-N 2.76Å; S110-M113 WeakPolarHBondContact OG-CB 2.9Å; S110-M113 PolarHBondContact OG-N 3.09Å; S110-M113 VanDerWaalsContact OG-N 3.07Å |
| 111 | D | 85.8 | Confident | 87.6 | Confident | 99 Ų | 99 | 34.1 Ų | 34.1 | 53% | 0.529 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -59.4 | 1.5 | 174.3 | -53.9 | -7 | 0 | 0 | 0 | 114.5 | H66 P67 | H66-D111 VanDerWaalsContact NE2-C 3.27Å; H66-D111 PolarHBondContact NE2-O 2.83Å; P67-D111 VanDerWaalsContact CB-OD1 3.24Å; P67-D111 WeakPolarHBondContact CB-OD1 3.42Å |
| 112 | T | 86.4 | Confident | 87.4 | Confident | 18 Ų | 18 | 30 Ų | 30 | 11% | 0.11 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -141.5 | -34 | -173.2 | 65.4 | 0 | 0 | 0 | 0 | 112.3 | S110 D127 W128 R129 | S110-T112 PolarHBondContact O-N 3.07Å; S110-T112 PolarHBondContact OG-N 2.92Å; S110-T112 PolarHBondContact OG-OG1 2.82Å; T112-D127 WeakPolarHBondContact O-CA 3.24Å; T112-W128 PolarHBondContact O-N 3.41Å; T112-R129 HydrophobicContact CG2-CG 4.29Å |
| 113 | M | 89.8 | Confident | 87.1 | Confident | 68 Ų | 68 | 29.3 Ų | 29.3 | 34% | 0.335 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 132.2 | -170.3 | -60.5 | -168.3 | -172.2 | 0 | 0 | 111.5 | M109 S110 W126 | M109-M113 HydrophobicContact CB-CB 4.22Å; M109-M113 PolarHBondContact N-O 2.58Å; S110-M113 PolarHBondContact N-O 3.03Å; S110-M113 PolarHBondContact O-N 2.76Å; S110-M113 WeakPolarHBondContact OG-CB 2.9Å; S110-M113 PolarHBondContact OG-N 3.09Å; S110-M113 VanDerWaalsContact OG-N 3.07Å; M113-W126 CarbonylContact C-O 3.37Å; M113-W126 WeakPolarHBondContact CA-O 3.47Å |
| 114 | L | 92 | Very high | 86.9 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 147.3 | 168.4 | -52.2 | 171.5 | 0 | 0 | 0 | 109.2 | F73 H107 A108 I125 W126 W128 | F73-L114 HydrophobicContact CB-CD1 4.48Å; F73-L114 HydrophobicContact CD1-CD1 3.5Å; F73-L114 VanDerWaalsContact CD1-CD1 3.5Å; F73-L114 HydrophobicContact CD2-CD1 3.94Å; F73-L114 HydrophobicContact CD2-CD2 3.79Å; F73-L114 HydrophobicContact CE1-CD1 3.55Å; F73-L114 HydrophobicContact CE2-CD1 3.97Å; F73-L114 HydrophobicContact CE2-CD2 3.8Å; F73-L114 HydrophobicContact CE2-CG 4.42Å; F73-L114 HydrophobicContact CG-CD1 3.7Å; F73-L114 HydrophobicContact CG-CD2 4.3Å; F73-L114 HydrophobicContact CZ-CD1 3.79Å; F73-L114 HydrophobicContact CZ-CD2 4.36Å; H107-L114 CarbonylContact O-C 3.57Å; H107-L114 WeakPolarHBondContact O-CA 3.33Å; A108-L114 HydrophobicContact CB-CD2 3.83Å; L114-I125 WeakPolarHBondContact O-CA 3.38Å; L114-W126 HydrophobicContact CB-CB 4.18Å; L114-W126 PolarHBondContact N-O 2.85Å; L114-W126 PolarHBondContact O-N 3.38Å; L114-W128 HydrophobicContact CD1-CE3 4.08Å |
| 115 | A | 88.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 141.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | L106 H107 M109 I125 F148 | L106-A115 WeakPolarHBondContact CA-O 3.4Å; H107-A115 PolarHBondContact N-O 2.83Å; H107-A115 PolarHBondContact O-N 2.99Å; M109-A115 HydrophobicContact CG-CB 4.1Å; M109-A115 HydrophobicContact SD-CB 3.79Å; A115-I125 HydrophobicContact CB-CD1 3.9Å; A115-F148 HydrophobicContact CB-CD1 4.23Å; A115-F148 HydrophobicContact CB-CE1 4.19Å; A115-F148 HydrophobicContact CB-CG 4.41Å; A115-F148 HydrophobicContact CB-CZ 4.4Å |
| 116 | T | 91.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 147.4 | 167 | 48 | 0 | 0 | 0 | 0 | 110.4 | I75 L81 H99 A105 L106 C123 S124 W126 | I75-T116 HydrophobicContact CG2-CG2 3.91Å; L81-T116 HydrophobicContact CD1-CG2 4.42Å; L81-T116 HydrophobicContact CD2-CG2 4.45Å; H99-T116 WeakPolarHBondContact NE2-CB 3.29Å; H99-T116 PolarHBondContact NE2-OG1 2.9Å; A105-T116 VanDerWaalsContact O-CA 3.23Å; A105-T116 WeakPolarHBondContact O-CA 3.47Å; L106-T116 HydrophobicContact CB-CG2 4.23Å; L106-T116 HydrophobicContact CD1-CG2 3.46Å; L106-T116 VanDerWaalsContact CD1-CG2 3.46Å; L106-T116 HydrophobicContact CG-CG2 4.45Å; T116-C123 CarbonylContact O-C 3.6Å; T116-C123 WeakPolarHBondContact O-CA 3.14Å; T116-S124 PolarHBondContact N-O 2.82Å; T116-S124 PolarHBondContact O-N 2.91Å; T116-W126 PolarHBondContact OG1-NE1 3.44Å |
| 117 | G | 89.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 140.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P103 Y104 A105 E122 | P103-G117 CarbonylContact C-O 3.54Å; P103-G117 WeakPolarHBondContact CA-O 3.48Å; Y104-G117 PolarHBondContact N-O 2.91Å; A105-G117 PolarHBondContact N-O 2.79Å; A105-G117 PolarHBondContact O-N 2.87Å; G117-E122 WeakPolarHBondContact CA-O 3.16Å |
| 118 | D | 88.7 | Confident | 87.6 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 173 | -179.7 | 90.2 | -3.4 | 0 | 0 | 0 | 114.9 | H99 R101 R120 G121 E122 | H99-D118 HydrophobicContact CB-CB 4.34Å; R101-D118 WeakPolarHBondContact CB-OD2 3.27Å; D118-R120 PolarHBondContact O-N 2.97Å; D118-R120 WeakPolarHBondContact OD1-CA 3.22Å; D118-R120 PolarHBondContact OD1-N 3.45Å; D118-G121 PolarHBondContact O-N 2.83Å; D118-G121 VanDerWaalsContact O-N 3.12Å; D118-G121 PolarHBondContact OD1-N 3.42Å; D118-E122 PolarHBondContact N-O 2.77Å; D118-E122 WeakPolarHBondContact OD1-CB 3.31Å; D118-E122 PolarHBondContact OD1-N 3.47Å |
| 119 | E | 85.7 | Confident | 87.6 | Confident | 86 Ų | 86 | 37.2 Ų | 37.2 | 40% | 0.402 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -1.4 | 179.1 | 60.5 | 166.7 | -141.8 | 0 | 0 | 115.3 | R101 A102 | R101-E119 HydrophobicContact CB-CG 3.6Å; R101-E119 WeakPolarHBondContact CD-OE1 3.33Å; R101-E119 HydrophobicContact CG-CG 4.44Å; R101-E119 IonicContact CZ-OE1 3.84Å; R101-E119 IonicContact NH1-OE1 2.87Å; R101-E119 PolarHBondContact NH1-OE1 3.39Å; A102-E119 PolarHBondContact O-N 2.88Å; A102-E119 VanDerWaalsContact O-N 3.1Å |
| 120 | R | 82.7 | Confident | 87.9 | Confident | 149 Ų | 149 | 37.4 Ų | 37.4 | 56% | 0.562 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -124.4 | 13.3 | 176.2 | -70.9 | -62.2 | 179.6 | 159.3 | -3.5 | 113.2 | D118 E122 | D118-R120 PolarHBondContact O-N 2.97Å; D118-R120 WeakPolarHBondContact OD1-CA 3.22Å; D118-R120 PolarHBondContact OD1-N 3.45Å; R120-E122 VanDerWaalsContact C-N 3.3Å |
| 121 | G | 79.9 | Confident | 88 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 79.6 | 10.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D118 C123 D143 | D118-G121 PolarHBondContact O-N 2.83Å; D118-G121 VanDerWaalsContact O-N 3.12Å; D118-G121 PolarHBondContact OD1-N 3.42Å; G121-C123 PolarHBondContact O-N 3.07Å; G121-D143 WeakPolarHBondContact CA-O 3.37Å; G121-D143 PolarHBondContact N-O 2.74Å |
| 122 | E | 85.9 | Confident | 88.1 | Confident | 15 Ų | 15 | 43.6 Ų | 43.6 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | trans | -71.3 | 111.9 | 169.4 | -172.8 | 173.6 | -175.8 | 0 | 0 | 108.4 | H99 G117 D118 R120 H137 F138 T139 | H99-E122 PolarHBondContact CE1-O 2.7Å; G117-E122 WeakPolarHBondContact CA-O 3.16Å; D118-E122 PolarHBondContact N-O 2.77Å; D118-E122 WeakPolarHBondContact OD1-CB 3.31Å; D118-E122 PolarHBondContact OD1-N 3.47Å; R120-E122 VanDerWaalsContact C-N 3.3Å; E122-H137 IonicContact OE1-ND1 3.85Å; E122-F138 WeakPolarHBondContact CA-O 3.29Å; E122-T139 HydrophobicContact CB-CG2 3.97Å; E122-T139 HydrophobicContact CG-CG2 3.83Å | ||
| 123 | C | 85.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 144.9 | 168.3 | -69.3 | 0 | 0 | 0 | 0 | 110 | T116 G121 H137 F138 I145 | T116-C123 CarbonylContact O-C 3.6Å; T116-C123 WeakPolarHBondContact O-CA 3.14Å; G121-C123 PolarHBondContact O-N 3.07Å; C123-H137 CarbonylContact O-C 3.54Å; C123-H137 WeakPolarHBondContact O-CA 3.21Å; C123-F138 HydrophobicContact CB-CD1 3.73Å; C123-F138 HydrophobicContact CB-CD2 3.65Å; C123-F138 HydrophobicContact CB-CE1 3.31Å; C123-F138 HydrophobicContact CB-CE2 3.23Å; C123-F138 HydrophobicContact CB-CG 3.89Å; C123-F138 HydrophobicContact CB-CZ 3.05Å; C123-F138 PolarHBondContact N-O 3.13Å; C123-F138 PolarHBondContact O-N 3Å; C123-F138 WeakPolarHBondContact SG-CE2 3.28Å; C123-F138 WeakPolarHBondContact SG-CZ 3.45Å; C123-I145 WeakPolarHBondContact SG-CD1 3.44Å |
| 124 | S | 90.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 135.8 | 169.9 | -70.2 | 0 | 0 | 0 | 0 | 110 | H99 T116 W126 S136 | H99-S124 PolarHBondContact CE1-OG 2.82Å; T116-S124 PolarHBondContact N-O 2.82Å; T116-S124 PolarHBondContact O-N 2.91Å; S124-W126 VanDerWaalsContact CB-NE1 3.29Å; S124-W126 PolarHBondContact O-NE1 3.24Å; S124-S136 WeakPolarHBondContact CA-O 3.48Å |
| 125 | I | 90.1 | Very high | 88 | Confident | 19 Ų | 19 | 49.7 Ų | 49.7 | 10% | 0.097 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 137.2 | 171.9 | -49.1 | -59.6 | 0 | 0 | 0 | 109.1 | M109 L114 A115 I135 S136 F138 | M109-I125 HydrophobicContact SD-CD1 3.94Å; M109-I125 HydrophobicContact SD-CG2 4.48Å; L114-I125 WeakPolarHBondContact O-CA 3.38Å; A115-I125 HydrophobicContact CB-CD1 3.9Å; I125-I135 HydrophobicContact CB-CG1 4.31Å; I125-I135 HydrophobicContact CG2-CD1 4.08Å; I125-I135 HydrophobicContact CG2-CG1 4.19Å; I125-I135 WeakPolarHBondContact O-CG1 3.23Å; I125-I135 PolarHBondContact O-N 2.97Å; I125-S136 VanDerWaalsContact CB-OG 3.28Å; I125-S136 WeakPolarHBondContact CB-OG 3.19Å; I125-S136 VanDerWaalsContact CG1-OG 3.32Å; I125-S136 WeakPolarHBondContact CG1-OG 3.48Å; I125-S136 PolarHBondContact N-O 3.31Å; I125-S136 PolarHBondContact O-N 3.3Å; I125-F138 HydrophobicContact CD1-CE1 4.31Å; I125-F138 HydrophobicContact CG1-CE1 4.25Å |
| 126 | W | 92.7 | Very high | 87.9 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 119.5 | -171.3 | -50.6 | 76.9 | 0 | 0 | 0 | 109.7 | L81 I95 A98 H99 M113 L114 T116 S124 P133 R134 | L81-W126 HydrophobicContact CD2-CD2 3.83Å; L81-W126 HydrophobicContact CD2-CE3 4.07Å; L81-W126 HydrophobicContact CD2-CG 4.2Å; L81-W126 HydrophobicContact CD2-CZ2 4.43Å; L81-W126 HydrophobicContact CD2-CZ3 4.46Å; I95-W126 HydrophobicContact CD1-CE3 3.71Å; I95-W126 HydrophobicContact CD1-CZ3 3.5Å; I95-W126 HydrophobicContact CG2-CZ3 4.44Å; A98-W126 HydrophobicContact CB-CH2 3.58Å; A98-W126 HydrophobicContact CB-CZ2 3.97Å; A98-W126 HydrophobicContact CB-CZ3 4.38Å; A98-W126 VanDerWaalsContact O-CH2 3.28Å; A98-W126 WeakPolarHBondContact O-CH2 3.34Å; H99-W126 AromaticContact NE2-CZ2 3.99Å; M113-W126 CarbonylContact C-O 3.37Å; M113-W126 WeakPolarHBondContact CA-O 3.47Å; L114-W126 HydrophobicContact CB-CB 4.18Å; L114-W126 PolarHBondContact N-O 2.85Å; L114-W126 PolarHBondContact O-N 3.38Å; T116-W126 PolarHBondContact OG1-NE1 3.44Å; S124-W126 VanDerWaalsContact CB-NE1 3.29Å; S124-W126 PolarHBondContact O-NE1 3.24Å; W126-P133 CarbonylContact C-O 3.37Å; W126-P133 WeakPolarHBondContact CA-O 3.16Å; W126-P133 HydrophobicContact CE3-CB 4.37Å; W126-P133 HydrophobicContact CE3-CG 4.15Å; W126-R134 HydrophobicContact CD2-CB 4.32Å; W126-R134 HydrophobicContact CD2-CG 4.37Å; W126-R134 HydrophobicContact CE3-CB 3.7Å; W126-R134 HydrophobicContact CE3-CG 4.2Å; W126-R134 HydrophobicContact CH2-CB 3.98Å; W126-R134 HydrophobicContact CH2-CG 3.98Å; W126-R134 HydrophobicContact CZ2-CG 4.16Å; W126-R134 HydrophobicContact CZ3-CB 3.52Å; W126-R134 HydrophobicContact CZ3-CG 4.02Å |
| 127 | D | 91.9 | Very high | 87.7 | Confident | 31 Ų | 31 | 57 Ų | 57 | 17% | 0.166 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 107.8 | 162.5 | -175.2 | -16 | 0 | 0 | 0 | 109.1 | T112 R129 C130 P133 I135 | T112-D127 WeakPolarHBondContact O-CA 3.24Å; D127-R129 PolarHBondContact O-N 2.65Å; D127-R129 VanDerWaalsContact OD1-CB 3.27Å; D127-R129 WeakPolarHBondContact OD1-CB 3.45Å; D127-R129 PolarHBondContact OD1-N 2.82Å; D127-C130 PolarHBondContact O-N 2.86Å; D127-P133 PolarHBondContact N-O 3.03Å; D127-P133 WeakPolarHBondContact O-CA 3.24Å; D127-P133 WeakPolarHBondContact O-CB 3.13Å; D127-I135 HydrophobicContact CB-CD1 4.21Å; D127-I135 HydrophobicContact CB-CG2 3.83Å |
| 128 | W | 90.7 | Very high | 87.4 | Confident | 27 Ų | 27 | 60 Ų | 60 | 10% | 0.102 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -13.2 | -175.1 | -155.2 | -105.3 | 0 | 0 | 0 | 113.9 | F73 L81 Q83 R93 I95 T112 L114 C130 P133 | F73-W128 HydrophobicContact CD1-CZ2 4.45Å; F73-W128 AromaticContact CE1-CD2 3.72Å; F73-W128 HydrophobicContact CE1-CD2 3.72Å; F73-W128 AromaticContact CE1-CE2 3.57Å; F73-W128 HydrophobicContact CE1-CE3 4.19Å; F73-W128 HydrophobicContact CE1-CG 4.04Å; F73-W128 HydrophobicContact CE1-CH2 4.34Å; F73-W128 AromaticContact CE1-CZ2 3.9Å; F73-W128 HydrophobicContact CE1-CZ2 3.9Å; F73-W128 HydrophobicContact CE1-CZ3 4.48Å; F73-W128 AromaticContact CE1-NE1 3.81Å; F73-W128 HydrophobicContact CZ-CD2 4.31Å; F73-W128 HydrophobicContact CZ-CG 4.14Å; L81-W128 HydrophobicContact CD2-CZ3 3.87Å; L81-W128 HydrophobicContact CG-CH2 4.3Å; L81-W128 HydrophobicContact CG-CZ3 4.08Å; Q83-W128 HydrophobicContact CB-CZ2 3.61Å; Q83-W128 VanDerWaalsContact CD-NE1 3.32Å; R93-W128 HydrophobicContact CB-CZ2 3.74Å; R93-W128 HydrophobicContact CG-CH2 4.23Å; R93-W128 HydrophobicContact CG-CZ2 3.6Å; R93-W128 PolarHBondContact NH1-O 3.35Å; I95-W128 HydrophobicContact CD1-CH2 4.05Å; I95-W128 HydrophobicContact CD1-CZ3 3.67Å; I95-W128 HydrophobicContact CG1-CH2 4.22Å; I95-W128 HydrophobicContact CG1-CZ3 4.33Å; T112-W128 PolarHBondContact O-N 3.41Å; L114-W128 HydrophobicContact CD1-CE3 4.08Å; W128-C130 VanDerWaalsContact C-N 3.31Å; W128-P133 HydrophobicContact CE3-CB 4.21Å |
| 129 | R | 88.8 | Confident | 87 | Confident | 192 Ų | 192 | 64.7 Ų | 64.7 | 73% | 0.725 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -26.8 | 173.6 | -60.4 | 179 | 168.8 | 164 | 5.8 | 111.9 | T112 D127 | T112-R129 HydrophobicContact CG2-CG 4.29Å; D127-R129 PolarHBondContact O-N 2.65Å; D127-R129 VanDerWaalsContact OD1-CB 3.27Å; D127-R129 WeakPolarHBondContact OD1-CB 3.45Å; D127-R129 PolarHBondContact OD1-N 2.82Å |
| 130 | C | 87.9 | Confident | 86.2 | Confident | 47 Ų | 47 | 67.9 Ų | 67.9 | 32% | 0.318 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -78.2 | 148.3 | -177 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | R93 D127 W128 H132 | R93-C130 PolarHBondContact NH1-O 3.26Å; R93-C130 PolarHBondContact NH2-O 2.9Å; D127-C130 PolarHBondContact O-N 2.86Å; W128-C130 VanDerWaalsContact C-N 3.31Å; C130-H132 VanDerWaalsContact C-N 3.32Å; C130-H132 WeakPolarHBondContact CB-O 3.32Å |
| 131 | S | 84.6 | Confident | 85.2 | Confident | 101 Ų | 101 | 62.5 Ų | 62.5 | 71% | 0.706 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -65.6 | -36.3 | 172.1 | 57.7 | 0 | 0 | 0 | 0 | 112.1 | R93 P133 | R93-S131 PolarHBondContact NH2-O 3.28Å; S131-P133 WeakPolarHBondContact O-CD 3.5Å |
| 132 | H | 85.8 | Confident | 84.5 | Confident | 156 Ų | 156 | 67 Ų | 67 | 72% | 0.722 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -104 | 91.7 | 165.3 | -60.1 | 96.6 | 0 | 0 | 0 | 108.1 | C130 R134 | C130-H132 VanDerWaalsContact C-N 3.32Å; C130-H132 WeakPolarHBondContact CB-O 3.32Å; H132-R134 PolarHBondContact O-N 2.91Å |
| 133 | P | 87.1 | Confident | 83.6 | Confident | 12 Ų | 12 | 69.1 Ų | 69.1 | 8% | 0.078 | 36% | 0.361 | C | S | . | . | trans | -76.7 | -24.6 | -165.7 | 28.5 | -32.6 | 0 | 0 | 0 | 112.7 | I95 W126 D127 W128 S131 I135 | I95-P133 HydrophobicContact CD1-CB 4.39Å; I95-P133 HydrophobicContact CD1-CG 3.24Å; I95-P133 HydrophobicContact CG1-CG 4.23Å; W126-P133 CarbonylContact C-O 3.37Å; W126-P133 WeakPolarHBondContact CA-O 3.16Å; W126-P133 HydrophobicContact CE3-CB 4.37Å; W126-P133 HydrophobicContact CE3-CG 4.15Å; D127-P133 PolarHBondContact N-O 3.03Å; D127-P133 WeakPolarHBondContact O-CA 3.24Å; D127-P133 WeakPolarHBondContact O-CB 3.13Å; W128-P133 HydrophobicContact CE3-CB 4.21Å; S131-P133 WeakPolarHBondContact O-CD 3.5Å; P133-I135 PolarHBondContact O-N 3.09Å; P133-I135 VanDerWaalsContact O-N 3.09Å | ||
| 134 | R | 90.5 | Very high | 82.9 | Confident | 114 Ų | 114 | 70.3 Ų | 70.3 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 107.4 | 176.7 | -162.8 | 175.5 | 64.4 | -179.7 | 5.5 | 109.9 | W126 H132 | W126-R134 HydrophobicContact CD2-CB 4.32Å; W126-R134 HydrophobicContact CD2-CG 4.37Å; W126-R134 HydrophobicContact CE3-CB 3.7Å; W126-R134 HydrophobicContact CE3-CG 4.2Å; W126-R134 HydrophobicContact CH2-CB 3.98Å; W126-R134 HydrophobicContact CH2-CG 3.98Å; W126-R134 HydrophobicContact CZ2-CG 4.16Å; W126-R134 HydrophobicContact CZ3-CB 3.52Å; W126-R134 HydrophobicContact CZ3-CG 4.02Å; H132-R134 PolarHBondContact O-N 2.91Å |
| 135 | I | 89.5 | Confident | 81.9 | Confident | 90 Ų | 90 | 70.3 Ų | 70.3 | 46% | 0.462 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -29.4 | -177.1 | 55.4 | 164.5 | 0 | 0 | 0 | 112.7 | I125 D127 P133 | I125-I135 HydrophobicContact CB-CG1 4.31Å; I125-I135 HydrophobicContact CG2-CD1 4.08Å; I125-I135 HydrophobicContact CG2-CG1 4.19Å; I125-I135 WeakPolarHBondContact O-CG1 3.23Å; I125-I135 PolarHBondContact O-N 2.97Å; D127-I135 HydrophobicContact CB-CD1 4.21Å; D127-I135 HydrophobicContact CB-CG2 3.83Å; P133-I135 PolarHBondContact O-N 3.09Å; P133-I135 VanDerWaalsContact O-N 3.09Å |
| 136 | S | 87.1 | Confident | 80.7 | Confident | 50 Ų | 50 | 70.2 Ų | 70.2 | 35% | 0.35 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 156.9 | 176.5 | 71.2 | 0 | 0 | 0 | 0 | 111.7 | S124 I125 | S124-S136 WeakPolarHBondContact CA-O 3.48Å; I125-S136 VanDerWaalsContact CB-OG 3.28Å; I125-S136 WeakPolarHBondContact CB-OG 3.19Å; I125-S136 VanDerWaalsContact CG1-OG 3.32Å; I125-S136 WeakPolarHBondContact CG1-OG 3.48Å; I125-S136 PolarHBondContact N-O 3.31Å; I125-S136 PolarHBondContact O-N 3.3Å |
| 137 | H | 86.9 | Confident | 79.4 | Confident | 104 Ų | 104 | 71.4 Ų | 71.4 | 48% | 0.481 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 147.2 | 170.9 | 73.4 | 92.3 | 0 | 0 | 0 | 109.8 | E122 C123 | E122-H137 IonicContact OE1-ND1 3.85Å; C123-H137 CarbonylContact O-C 3.54Å; C123-H137 WeakPolarHBondContact O-CA 3.21Å |
| 138 | F | 82.8 | Confident | 78.5 | Confident | 61 Ų | 61 | 70.1 Ų | 70.1 | 27% | 0.268 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 151.8 | -179.6 | 56.2 | -85.4 | 0 | 0 | 0 | 110.8 | E122 C123 I125 | E122-F138 WeakPolarHBondContact CA-O 3.29Å; C123-F138 HydrophobicContact CB-CD1 3.73Å; C123-F138 HydrophobicContact CB-CD2 3.65Å; C123-F138 HydrophobicContact CB-CE1 3.31Å; C123-F138 HydrophobicContact CB-CE2 3.23Å; C123-F138 HydrophobicContact CB-CG 3.89Å; C123-F138 HydrophobicContact CB-CZ 3.05Å; C123-F138 PolarHBondContact N-O 3.13Å; C123-F138 PolarHBondContact O-N 3Å; C123-F138 WeakPolarHBondContact SG-CE2 3.28Å; C123-F138 WeakPolarHBondContact SG-CZ 3.45Å; I125-F138 HydrophobicContact CD1-CE1 4.31Å; I125-F138 HydrophobicContact CG1-CE1 4.25Å |
| 139 | T | 80.3 | Confident | 77.2 | Confident | 100 Ų | 100 | 70 Ų | 70 | 61% | 0.613 | 37% | 0.372 | S | S | * | . | trans | -135.2 | 44.5 | -171.9 | 58.7 | 0 | 0 | 0 | 0 | 111.3 | E122 | E122-T139 HydrophobicContact CB-CG2 3.97Å; E122-T139 HydrophobicContact CG-CG2 3.83Å | ||
| 140 | E | 68.6 | Low | 76 | Confident | 153 Ų | 153 | 62.6 Ų | 62.6 | 72% | 0.715 | 35% | 0.35 | S | S | * | . | trans | -82.6 | -25.5 | -178.6 | -62.4 | -172.7 | 164.5 | 0 | 0 | 112.1 | ||||
| 141 | C | 62.6 | Low | 74.7 | Confident | 37 Ų | 37 | 63 Ų | 63 | 25% | 0.25 | 35% | 0.349 | C | S | . | . | trans | -78.5 | 130.7 | 175.8 | -57.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 142 | A | 65 | Low | 73.4 | Confident | 93 Ų | 93 | 61.6 Ų | 61.6 | 77% | 0.769 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -86.3 | -18.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 143 | D | 67.4 | Low | 71.9 | Confident | 60 Ų | 60 | 61.8 Ų | 61.8 | 32% | 0.321 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -115 | 170.5 | -177.5 | -81.7 | -54.9 | 0 | 0 | 0 | 111.5 | G121 R163 | G121-D143 WeakPolarHBondContact CA-O 3.37Å; G121-D143 PolarHBondContact N-O 2.74Å; D143-R163 WeakPolarHBondContact OD2-CG 3.49Å |
| 144 | F | 70.5 | Confident | 70.2 | Confident | 25 Ų | 25 | 69.4 Ų | 69.4 | 11% | 0.11 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 150.6 | 179.5 | 72.5 | -87.8 | 0 | 0 | 0 | 111.3 | S161 G162 R164 | F144-S161 VanDerWaalsContact O-CA 3.3Å; F144-S161 WeakPolarHBondContact O-CA 3.4Å; F144-G162 WeakPolarHBondContact CD1-O 3.47Å; F144-G162 WeakPolarHBondContact CE1-O 3.42Å; F144-G162 WeakPolarHBondContact CZ-O 3.44Å; F144-G162 PolarHBondContact O-N 3.4Å; F144-G162 VanDerWaalsContact O-N 3.14Å; F144-R164 HydrophobicContact CD1-CB 4.43Å; F144-R164 HydrophobicContact CD1-CG 4.34Å; F144-R164 HydrophobicContact CE1-CB 3.65Å; F144-R164 HydrophobicContact CE1-CG 3.33Å; F144-R164 HydrophobicContact CZ-CG 3.78Å |
| 145 | I | 68.5 | Low | 68.4 | Low | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 118.4 | 178.9 | -55.4 | 174.2 | 0 | 0 | 0 | 107.3 | A105 C123 F148 L159 T160 | A105-I145 HydrophobicContact CB-CB 4.43Å; A105-I145 HydrophobicContact CB-CG2 3.96Å; C123-I145 WeakPolarHBondContact SG-CD1 3.44Å; I145-F148 HydrophobicContact CD1-CE1 4.46Å; I145-F148 HydrophobicContact CD1-CZ 3.98Å; I145-F148 HydrophobicContact CG2-CD2 4.15Å; I145-F148 HydrophobicContact CG2-CE1 4.25Å; I145-F148 HydrophobicContact CG2-CE2 3.74Å; I145-F148 HydrophobicContact CG2-CZ 3.79Å; I145-L159 HydrophobicContact CD1-CD2 3.99Å; I145-L159 HydrophobicContact CG1-CD2 4.46Å; I145-L159 HydrophobicContact CG2-CD2 3.88Å; I145-T160 CarbonylContact C-O 3.51Å; I145-T160 WeakPolarHBondContact CA-O 3.37Å |
| 146 | S | 65.2 | Low | 66.6 | Low | 16 Ų | 16 | 68 Ų | 68 | 11% | 0.112 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -46.3 | 178.2 | 32.3 | 0 | 0 | 0 | 0 | 110.7 | T160 G162 | S146-T160 WeakPolarHBondContact CB-OG1 3.37Å; S146-T160 PolarHBondContact N-O 2.89Å; S146-T160 VanDerWaalsContact OG-C 3.25Å; S146-T160 VanDerWaalsContact OG-CB 3.24Å; S146-T160 WeakPolarHBondContact OG-CB 3.12Å; S146-T160 PolarHBondContact OG-O 3.01Å; S146-T160 PolarHBondContact OG-OG1 2.81Å; S146-G162 PolarHBondContact OG-N 2.81Å |
| 147 | D | 66.5 | Low | 65 | Low | 30 Ų | 30 | 66.4 Ų | 66.4 | 16% | 0.16 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 166 | -178.8 | -171.2 | 34.9 | 0 | 0 | 0 | 112.6 | T160 | D147-T160 WeakPolarHBondContact CB-OG1 3.27Å; D147-T160 PolarHBondContact N-OG1 2.92Å; D147-T160 PolarHBondContact O-N 2.99Å; D147-T160 PolarHBondContact O-OG1 3.22Å |
| 148 | F | 73 | Confident | 63.5 | Low | 3 Ų | 3 | 65.5 Ų | 65.5 | 1% | 0.013 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 146.6 | 171.7 | -58 | -102.3 | 0 | 0 | 0 | 111 | A105 H107 A115 I145 L157 L158 L159 | A105-F148 HydrophobicContact CB-CD2 3.6Å; A105-F148 HydrophobicContact CB-CE2 3.46Å; A105-F148 VanDerWaalsContact CB-CE2 3.46Å; H107-F148 HydrophobicContact CB-CB 3.65Å; H107-F148 HydrophobicContact CB-CD2 4.3Å; H107-F148 HydrophobicContact CB-CG 4.3Å; A115-F148 HydrophobicContact CB-CD1 4.23Å; A115-F148 HydrophobicContact CB-CE1 4.19Å; A115-F148 HydrophobicContact CB-CG 4.41Å; A115-F148 HydrophobicContact CB-CZ 4.4Å; I145-F148 HydrophobicContact CD1-CE1 4.46Å; I145-F148 HydrophobicContact CD1-CZ 3.98Å; I145-F148 HydrophobicContact CG2-CD2 4.15Å; I145-F148 HydrophobicContact CG2-CE1 4.25Å; I145-F148 HydrophobicContact CG2-CE2 3.74Å; I145-F148 HydrophobicContact CG2-CZ 3.79Å; F148-L157 HydrophobicContact CB-CD1 4.24Å; F148-L157 HydrophobicContact CD1-CD1 3.92Å; F148-L157 HydrophobicContact CD1-CD2 3.81Å; F148-L157 HydrophobicContact CD1-CG 3.98Å; F148-L157 HydrophobicContact CE1-CD2 4.01Å; F148-L158 CarbonylContact C-O 3.6Å; F148-L158 VanDerWaalsContact CA-O 3.27Å; F148-L158 WeakPolarHBondContact CA-O 3.39Å; F148-L159 HydrophobicContact CD1-CD2 3.32Å; F148-L159 HydrophobicContact CD1-CG 3.84Å; F148-L159 HydrophobicContact CE1-CD2 3.11Å; F148-L159 HydrophobicContact CE1-CG 4.09Å; F148-L159 HydrophobicContact CG-CD2 4.34Å; F148-L159 HydrophobicContact CZ-CD2 3.96Å |
| 149 | A | 63 | Low | 62.1 | Low | 26 Ų | 26 | 64.2 Ų | 64.2 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 155.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L157 L158 | A149-L157 CarbonylContact O-C 3.55Å; A149-L157 WeakPolarHBondContact O-CA 3.1Å; A149-L158 HydrophobicContact CB-CB 4.04Å; A149-L158 HydrophobicContact CB-CD1 4.16Å; A149-L158 PolarHBondContact N-O 2.87Å; A149-L158 WeakPolarHBondContact O-CA 3.5Å; A149-L158 PolarHBondContact O-N 2.05Å; A149-L158 VanDerWaalsContact O-O 3.08Å |
| 150 | S | 64.3 | Low | 60.9 | Low | 36 Ų | 36 | 61.1 Ų | 61.1 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 142.9 | -179 | 64.5 | 0 | 0 | 0 | 0 | 112.7 | H107 I156 | H107-S150 PolarHBondContact NE2-N 2.91Å; H107-S150 PolarHBondContact NE2-OG 2.9Å; S150-I156 CarbonylContact C-O 3.52Å; S150-I156 WeakPolarHBondContact CA-O 3.23Å |
| 151 | D | 59.9 | Low | 60.2 | Low | 54 Ų | 54 | 56.2 Ų | 56.2 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 105.7 | 162.3 | -178 | -16.3 | 0 | 0 | 0 | 108.4 | N153 R154 N155 I156 | D151-N153 VanDerWaalsContact C-N 3.33Å; D151-N153 WeakPolarHBondContact OD1-CA 3.27Å; D151-N153 WeakPolarHBondContact OD1-CB 3.41Å; D151-N153 PolarHBondContact OD1-N 3.47Å; D151-R154 HydrophobicContact CB-CB 4.25Å; D151-R154 PolarHBondContact O-N 2.76Å; D151-R154 PolarHBondContact OD1-N 3.37Å; D151-R154 WeakPolarHBondContact OD2-CB 3.39Å; D151-R154 WeakPolarHBondContact OD2-CD 3.42Å; D151-R154 WeakPolarHBondContact OD2-CG 3.41Å; D151-R154 IonicContact OD2-NE 3.49Å; D151-R154 PolarHBondContact OD2-NE 3.26Å; D151-N155 CarbonylContact O-C 3.58Å; D151-N155 WeakPolarHBondContact O-CA 3.43Å; D151-N155 PolarHBondContact O-N 2.88Å; D151-I156 HydrophobicContact CB-CB 4.34Å; D151-I156 PolarHBondContact N-O 3.43Å; D151-I156 PolarHBondContact O-N 2.96Å |
| 152 | V | 57.8 | Low | 59.4 | Low | 73 Ų | 73 | 55.3 Ų | 55.3 | 44% | 0.442 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -34.1 | 179.4 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | M109 R154 N155 | M109-V152 WeakPolarHBondContact O-CG2 3.39Å; V152-R154 VanDerWaalsContact C-N 3.3Å; V152-R154 PolarHBondContact O-N 2.59Å; V152-N155 PolarHBondContact O-N 3.29Å; V152-N155 PolarHBondContact O-OD1 2.81Å |
| 153 | N | 53.2 | Low | 58 | Low | 159 Ų | 159 | 59.5 Ų | 59.5 | 85% | 0.85 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -33.4 | -178.2 | -68.9 | -26.8 | 0 | 0 | 0 | 111.1 | D151 | D151-N153 VanDerWaalsContact C-N 3.33Å; D151-N153 WeakPolarHBondContact OD1-CA 3.27Å; D151-N153 WeakPolarHBondContact OD1-CB 3.41Å; D151-N153 PolarHBondContact OD1-N 3.47Å |
| 154 | R | 51.9 | Low | 56.1 | Low | 173 Ų | 173 | 64.4 Ų | 64.4 | 65% | 0.653 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -2.3 | 175.9 | -62.3 | -176.1 | -171.4 | 179.1 | 5.3 | 114 | D151 V152 I156 | D151-R154 HydrophobicContact CB-CB 4.25Å; D151-R154 PolarHBondContact O-N 2.76Å; D151-R154 PolarHBondContact OD1-N 3.37Å; D151-R154 WeakPolarHBondContact OD2-CB 3.39Å; D151-R154 WeakPolarHBondContact OD2-CD 3.42Å; D151-R154 WeakPolarHBondContact OD2-CG 3.41Å; D151-R154 IonicContact OD2-NE 3.49Å; D151-R154 PolarHBondContact OD2-NE 3.26Å; V152-R154 VanDerWaalsContact C-N 3.3Å; V152-R154 PolarHBondContact O-N 2.59Å; R154-I156 VanDerWaalsContact C-N 3.27Å; R154-I156 HydrophobicContact CB-CD1 3.7Å; R154-I156 HydrophobicContact CB-CG1 3.85Å; R154-I156 PolarHBondContact O-N 2.78Å |
| 155 | N | 53.2 | Low | 53.9 | Low | 116 Ų | 116 | 65.8 Ų | 65.8 | 62% | 0.62 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 40.4 | -171 | -70.7 | -28.7 | 0 | 0 | 0 | 113.4 | D151 V152 | D151-N155 CarbonylContact O-C 3.58Å; D151-N155 WeakPolarHBondContact O-CA 3.43Å; D151-N155 PolarHBondContact O-N 2.88Å; V152-N155 PolarHBondContact O-N 3.29Å; V152-N155 PolarHBondContact O-OD1 2.81Å |
| 156 | I | 51.9 | Low | 51.9 | Low | 57 Ų | 57 | 70.7 Ų | 70.7 | 29% | 0.292 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 130.4 | 179.1 | -61.1 | 171.9 | 0 | 0 | 0 | 109.1 | S150 D151 R154 L158 | S150-I156 CarbonylContact C-O 3.52Å; S150-I156 WeakPolarHBondContact CA-O 3.23Å; D151-I156 HydrophobicContact CB-CB 4.34Å; D151-I156 PolarHBondContact N-O 3.43Å; D151-I156 PolarHBondContact O-N 2.96Å; R154-I156 VanDerWaalsContact C-N 3.27Å; R154-I156 HydrophobicContact CB-CD1 3.7Å; R154-I156 HydrophobicContact CB-CG1 3.85Å; R154-I156 PolarHBondContact O-N 2.78Å; I156-L158 HydrophobicContact CG2-CD2 4.17Å; I156-L158 HydrophobicContact CG2-CG 4.28Å |
| 157 | L | 53.6 | Low | 49.8 | Very low | 17 Ų | 17 | 75.1 Ų | 75.1 | 9% | 0.089 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 112.8 | 165 | -172.9 | 71.9 | 0 | 0 | 0 | 107.8 | M109 F148 A149 L159 | M109-L157 HydrophobicContact CE-CD1 4.29Å; M109-L157 HydrophobicContact SD-CD1 4.4Å; F148-L157 HydrophobicContact CB-CD1 4.24Å; F148-L157 HydrophobicContact CD1-CD1 3.92Å; F148-L157 HydrophobicContact CD1-CD2 3.81Å; F148-L157 HydrophobicContact CD1-CG 3.98Å; F148-L157 HydrophobicContact CE1-CD2 4.01Å; A149-L157 CarbonylContact O-C 3.55Å; A149-L157 WeakPolarHBondContact O-CA 3.1Å; L157-L159 HydrophobicContact CD2-CD1 4.35Å; L157-L159 HydrophobicContact CD2-CG 4.44Å; L157-L159 HydrophobicContact CG-CG 4.42Å |
| 158 | L | 55.1 | Low | 47.9 | Very low | 86 Ų | 86 | 78 Ų | 78 | 45% | 0.45 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 138.5 | 166.6 | -61.3 | 173.8 | 0 | 0 | 0 | 108.3 | F148 A149 I156 | F148-L158 CarbonylContact C-O 3.6Å; F148-L158 VanDerWaalsContact CA-O 3.27Å; F148-L158 WeakPolarHBondContact CA-O 3.39Å; A149-L158 HydrophobicContact CB-CB 4.04Å; A149-L158 HydrophobicContact CB-CD1 4.16Å; A149-L158 PolarHBondContact N-O 2.87Å; A149-L158 WeakPolarHBondContact O-CA 3.5Å; A149-L158 PolarHBondContact O-N 2.05Å; A149-L158 VanDerWaalsContact O-O 3.08Å; I156-L158 HydrophobicContact CG2-CD2 4.17Å; I156-L158 HydrophobicContact CG2-CG 4.28Å |
| 159 | L | 52.8 | Low | 45.6 | Very low | 33 Ų | 33 | 80.4 Ų | 80.4 | 17% | 0.173 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.1 | 177 | -69.6 | 129.4 | 0 | 0 | 0 | 107.5 | I145 F148 L157 | I145-L159 HydrophobicContact CD1-CD2 3.99Å; I145-L159 HydrophobicContact CG1-CD2 4.46Å; I145-L159 HydrophobicContact CG2-CD2 3.88Å; F148-L159 HydrophobicContact CD1-CD2 3.32Å; F148-L159 HydrophobicContact CD1-CG 3.84Å; F148-L159 HydrophobicContact CE1-CD2 3.11Å; F148-L159 HydrophobicContact CE1-CG 4.09Å; F148-L159 HydrophobicContact CG-CD2 4.34Å; F148-L159 HydrophobicContact CZ-CD2 3.96Å; L157-L159 HydrophobicContact CD2-CD1 4.35Å; L157-L159 HydrophobicContact CD2-CG 4.44Å; L157-L159 HydrophobicContact CG-CG 4.42Å |
| 160 | T | 55.9 | Low | 44.5 | Very low | 36 Ų | 36 | 83.1 Ų | 83.1 | 22% | 0.221 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125.8 | 159.2 | 61.2 | 0 | 0 | 0 | 0 | 107.6 | I145 S146 D147 I200 | I145-T160 CarbonylContact C-O 3.51Å; I145-T160 WeakPolarHBondContact CA-O 3.37Å; S146-T160 WeakPolarHBondContact CB-OG1 3.37Å; S146-T160 PolarHBondContact N-O 2.89Å; S146-T160 VanDerWaalsContact OG-C 3.25Å; S146-T160 VanDerWaalsContact OG-CB 3.24Å; S146-T160 WeakPolarHBondContact OG-CB 3.12Å; S146-T160 PolarHBondContact OG-O 3.01Å; S146-T160 PolarHBondContact OG-OG1 2.81Å; D147-T160 WeakPolarHBondContact CB-OG1 3.27Å; D147-T160 PolarHBondContact N-OG1 2.92Å; D147-T160 PolarHBondContact O-N 2.99Å; D147-T160 PolarHBondContact O-OG1 3.22Å; T160-I200 HydrophobicContact CG2-CG2 3.98Å |
| 161 | S | 53 | Low | 43.8 | Very low | 49 Ų | 49 | 84.9 Ų | 84.9 | 34% | 0.343 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 113.6 | 169.6 | 60.2 | 0 | 0 | 0 | 0 | 108.7 | F144 R163 | F144-S161 VanDerWaalsContact O-CA 3.3Å; F144-S161 WeakPolarHBondContact O-CA 3.4Å; S161-R163 PolarHBondContact O-N 2.79Å |
| 162 | G | 46.6 | Very low | 43.7 | Very low | 19 Ų | 19 | 82.5 Ų | 82.5 | 20% | 0.196 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 120.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109 | F144 S146 R164 | F144-G162 WeakPolarHBondContact CD1-O 3.47Å; F144-G162 WeakPolarHBondContact CE1-O 3.42Å; F144-G162 WeakPolarHBondContact CZ-O 3.44Å; F144-G162 PolarHBondContact O-N 3.4Å; F144-G162 VanDerWaalsContact O-N 3.14Å; S146-G162 PolarHBondContact OG-N 2.81Å; G162-R164 PolarHBondContact O-N 3.37Å |
| 163 | R | 34.2 | Very low | 44.1 | Very low | 180 Ų | 180 | 83.5 Ų | 83.5 | 68% | 0.679 | 48% | 0.482 | S | S | * | . | trans | -81.1 | 106.1 | 160.4 | -160.2 | 175.2 | -179.2 | -164.7 | 4.2 | 106.7 | D143 S161 V165 | D143-R163 WeakPolarHBondContact OD2-CG 3.49Å; S161-R163 PolarHBondContact O-N 2.79Å; R163-V165 HydrophobicContact CB-CG2 3.79Å; R163-V165 HydrophobicContact CG-CG2 3.35Å; R163-V165 PolarHBondContact O-N 3.25Å | ||
| 164 | R | 28.7 | Very low | 44.5 | Very low | 164 Ų | 164 | 76.5 Ų | 76.5 | 62% | 0.619 | 45% | 0.445 | S | S | * | . | trans | -72.3 | 72.8 | 164.7 | -93.2 | 167.1 | -164.9 | -147.1 | 1.7 | 106.3 | F144 G162 A166 | F144-R164 HydrophobicContact CD1-CB 4.43Å; F144-R164 HydrophobicContact CD1-CG 4.34Å; F144-R164 HydrophobicContact CE1-CB 3.65Å; F144-R164 HydrophobicContact CE1-CG 3.33Å; F144-R164 HydrophobicContact CZ-CG 3.78Å; G162-R164 PolarHBondContact O-N 3.37Å; R164-A166 PolarHBondContact O-N 3.16Å | ||
| 165 | V | 24.6 | Very low | 45.1 | Very low | 54 Ų | 54 | 71.7 Ų | 71.7 | 33% | 0.327 | 43% | 0.43 | S | S | . | . | trans | -69.9 | 105.6 | 175.1 | -165.8 | 0 | 0 | 0 | 0 | 106 | R163 C167 | R163-V165 HydrophobicContact CB-CG2 3.79Å; R163-V165 HydrophobicContact CG-CG2 3.35Å; R163-V165 PolarHBondContact O-N 3.25Å; V165-C167 HydrophobicContact CG1-CB 4.07Å; V165-C167 WeakPolarHBondContact CG1-O 3.33Å; V165-C167 PolarHBondContact O-N 2.97Å | ||
| 166 | A | 24.9 | Very low | 45.3 | Very low | 104 Ų | 104 | 67.6 Ų | 67.6 | 86% | 0.86 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -61.9 | 10.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R164 | R164-A166 PolarHBondContact O-N 3.16Š|
| 167 | C | 22.9 | Very low | 45.4 | Very low | 108 Ų | 108 | 68.2 Ų | 68.2 | 73% | 0.73 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -148.3 | 68 | -170.8 | -49.3 | 0 | 0 | 0 | 0 | 110.5 | V165 G169 | V165-C167 HydrophobicContact CG1-CB 4.07Å; V165-C167 WeakPolarHBondContact CG1-O 3.33Å; V165-C167 PolarHBondContact O-N 2.97Å; C167-G169 PolarHBondContact O-N 3.27Å |
| 168 | G | 24.9 | Very low | 44.9 | Very low | 90 Ų | 90 | 73.6 Ų | 73.6 | 93% | 0.928 | 43% | 0.431 | S | S | * | . | trans | 44.1 | 56.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 169 | G | 25.1 | Very low | 44 | Very low | 54 Ų | 54 | 75.2 Ų | 75.2 | 56% | 0.557 | 43% | 0.431 | S | S | * | . | trans | -155 | 76.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116 | C167 | C167-G169 PolarHBondContact O-N 3.27Š| ||
| 170 | A | 40.5 | Very low | 43.7 | Very low | 83 Ų | 83 | 79.8 Ų | 79.8 | 69% | 0.686 | 46% | 0.456 | S | S | * | . | trans | 145.3 | 113.8 | 135 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y173 | A170-Y173 HydrophobicContact CB-CD2 4.13Å; A170-Y173 HydrophobicContact CB-CE2 4.49Å | ||
| 171 | T | 48.9 | Very low | 43.5 | Very low | 74 Ų | 74 | 83.4 Ų | 83.4 | 45% | 0.454 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -66.1 | 120.5 | 177.6 | 50.7 | 0 | 0 | 0 | 0 | 111.8 | Y173 | T171-Y173 VanDerWaalsContact C-N 3.31Å; T171-Y173 WeakPolarHBondContact O-CD2 3.46Å; T171-Y173 WeakPolarHBondContact O-CE2 3.47Å; T171-Y173 PolarHBondContact O-N 2.93Å |
| 172 | G | 57.3 | Low | 43.4 | Very low | 4 Ų | 4 | 84.7 Ų | 84.7 | 4% | 0.041 | 47% | 0.47 | C | S | . | . | S | Bend | trans | 50.9 | 27.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | T191 D195 | G172-T191 WeakPolarHBondContact O-CB 3.3Å; G172-T191 WeakPolarHBondContact O-CG2 3.31Å; G172-T191 PolarHBondContact O-OG1 3.28Å; G172-D195 WeakPolarHBondContact CA-O 3.43Å; G172-D195 PolarHBondContact N-O 2.73Å |
| 173 | Y | 67.2 | Low | 43.8 | Very low | 93 Ų | 93 | 91.9 Ų | 91.9 | 37% | 0.365 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 145.7 | 179.1 | -69.4 | -86 | 0 | 0 | 0 | 111.2 | A170 T171 R188 A189 K190 | A170-Y173 HydrophobicContact CB-CD2 4.13Å; A170-Y173 HydrophobicContact CB-CE2 4.49Å; T171-Y173 VanDerWaalsContact C-N 3.31Å; T171-Y173 WeakPolarHBondContact O-CD2 3.46Å; T171-Y173 WeakPolarHBondContact O-CE2 3.47Å; T171-Y173 PolarHBondContact O-N 2.93Å; Y173-R188 HydrophobicContact CD1-CB 4.2Å; Y173-A189 WeakPolarHBondContact CA-O 3.38Å; Y173-K190 HydrophobicContact CD1-CB 4.08Å; Y173-K190 HydrophobicContact CD1-CG 4.43Å; Y173-K190 HydrophobicContact CE1-CB 3.74Å; Y173-K190 HydrophobicContact CE1-CD 4.39Å; Y173-K190 HydrophobicContact CE1-CG 3.86Å |
| 174 | L | 60.5 | Low | 44.8 | Very low | 12 Ų | 12 | 87 Ų | 87 | 6% | 0.063 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 137 | 162 | -62.8 | 167 | 0 | 0 | 0 | 109 | L176 R188 A189 T191 V197 I200 I208 T210 M220 | L174-L176 HydrophobicContact CB-CD1 4.46Å; L174-R188 CarbonylContact O-C 3.54Å; L174-R188 WeakPolarHBondContact O-CA 3.21Å; L174-A189 HydrophobicContact CB-CB 4.2Å; L174-A189 PolarHBondContact N-O 2.81Å; L174-A189 PolarHBondContact O-N 3.27Å; L174-T191 HydrophobicContact CD1-CG2 3.78Å; L174-T191 HydrophobicContact CG-CG2 3.62Å; L174-V197 HydrophobicContact CD2-CG1 4.19Å; L174-I200 HydrophobicContact CD1-CD1 3.99Å; L174-I200 HydrophobicContact CD2-CD1 3.94Å; L174-I208 HydrophobicContact CD1-CD1 3.23Å; L174-T210 HydrophobicContact CD1-CG2 3.88Å; L174-T210 HydrophobicContact CD2-CG2 4.36Å; L174-T210 HydrophobicContact CG-CG2 4.47Å; L174-M220 HydrophobicContact CD1-CE 4.27Å; L174-M220 HydrophobicContact CD1-SD 3.9Å |
| 175 | E | 64.4 | Low | 46.3 | Very low | 72 Ų | 72 | 82.2 Ų | 82.2 | 34% | 0.336 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 122.1 | 175.9 | -65.7 | -164.2 | 148.2 | 0 | 0 | 109.3 | F177 L185 R188 | E175-F177 HydrophobicContact CB-CE2 3.8Å; E175-F177 HydrophobicContact CB-CZ 4.29Å; E175-L185 HydrophobicContact CB-CD1 3.67Å; E175-L185 HydrophobicContact CG-CD1 3.99Å; E175-R188 HydrophobicContact CG-CG 4.17Å; E175-R188 IonicContact OE1-CZ 3.37Å; E175-R188 IonicContact OE1-NE 2.9Å; E175-R188 PolarHBondContact OE1-NE 3.27Å; E175-R188 IonicContact OE1-NH2 2.93Å; E175-R188 PolarHBondContact OE1-NH2 2.92Å |
| 176 | L | 57.8 | Low | 48.2 | Very low | 30 Ų | 30 | 82.7 Ų | 82.7 | 16% | 0.157 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128 | -179.9 | -71.8 | 80.5 | 0 | 0 | 0 | 109.6 | L174 V186 E187 A189 L222 Y223 | L174-L176 HydrophobicContact CB-CD1 4.46Å; L176-V186 VanDerWaalsContact O-CB 3.28Å; L176-V186 WeakPolarHBondContact O-CB 3.34Å; L176-V186 PolarHBondContact O-N 2.92Å; L176-E187 PolarHBondContact N-O 3.02Å; L176-A189 HydrophobicContact CD1-CB 3.99Å; L176-L222 HydrophobicContact CD2-CD2 4.43Å; L176-Y223 WeakPolarHBondContact CD2-OH 3.48Å |
| 177 | F | 54.1 | Low | 50.2 | Low | 71 Ų | 71 | 81 Ų | 81 | 31% | 0.311 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 142.8 | 176.3 | -64.7 | -86.4 | 0 | 0 | 0 | 110.7 | E175 F182 L185 | E175-F177 HydrophobicContact CB-CE2 3.8Å; E175-F177 HydrophobicContact CB-CZ 4.29Å; F177-F182 WeakPolarHBondContact CD1-O 3.23Å; F177-L185 HydrophobicContact CE1-CB 4.28Å; F177-L185 HydrophobicContact CE1-CD1 4.34Å; F177-L185 HydrophobicContact CZ-CD1 4.16Å |
| 178 | K | 43 | Very low | 52.4 | Low | 129 Ų | 129 | 82.8 Ų | 82.8 | 56% | 0.561 | 45% | 0.449 | S | S | * | . | trans | -88.1 | 134.2 | 168.4 | -91.8 | 171.5 | -176.1 | -177.4 | 0 | 109.2 | E181 V186 | K178-E181 CarbonylContact O-C 3.57Å; K178-E181 PolarHBondContact O-N 3.42Å; K178-V186 HydrophobicContact CB-CG2 3.91Å; K178-V186 HydrophobicContact CD-CG2 4.02Å; K178-V186 HydrophobicContact CG-CG2 3.71Å | ||
| 179 | W | 37.2 | Very low | 54.7 | Low | 120 Ų | 120 | 78.6 Ų | 78.6 | 46% | 0.455 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 144.1 | 174.9 | -144.2 | 75.4 | 0 | 0 | 0 | 110.6 | E181 F182 | W179-E181 PolarHBondContact O-N 2.85Å; W179-F182 AromaticContact CD1-CE1 3.5Å; W179-F182 VanDerWaalsContact CD1-CE1 3.5Å; W179-F182 AromaticContact CD1-CZ 3.27Å; W179-F182 HydrophobicContact CD2-CZ 4.24Å; W179-F182 AromaticContact CE2-CZ 3.97Å; W179-F182 HydrophobicContact CG-CE1 4.2Å; W179-F182 AromaticContact CG-CZ 3.82Å; W179-F182 HydrophobicContact CG-CZ 3.82Å; W179-F182 AromaticContact NE1-CE1 3.97Å; W179-F182 AromaticContact NE1-CZ 3.38Å |
| 180 | N | 45.5 | Very low | 57.2 | Low | 129 Ų | 129 | 82 Ų | 82 | 69% | 0.69 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | -4.1 | -167.7 | -64.1 | -24.8 | 0 | 0 | 0 | 116.9 | ||
| 181 | E | 51.5 | Low | 59 | Low | 113 Ų | 113 | 78 Ų | 78 | 53% | 0.528 | 37% | 0.373 | S | S | . | . | trans | -133 | 46.7 | 173.2 | -68 | 179.9 | -172.6 | 0 | 0 | 110 | K178 W179 D183 T184 | K178-E181 CarbonylContact O-C 3.57Å; K178-E181 PolarHBondContact O-N 3.42Å; W179-E181 PolarHBondContact O-N 2.85Å; E181-D183 PolarHBondContact O-N 3.17Å; E181-D183 VanDerWaalsContact O-N 3.07Å; E181-T184 PolarHBondContact O-N 2.86Å | ||
| 182 | F | 52.4 | Low | 60.5 | Low | 76 Ų | 76 | 75.9 Ų | 75.9 | 33% | 0.333 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -23.1 | -178.2 | -58.5 | -72.6 | 0 | 0 | 0 | 113.6 | F177 W179 T184 | F177-F182 WeakPolarHBondContact CD1-O 3.23Å; W179-F182 AromaticContact CD1-CE1 3.5Å; W179-F182 VanDerWaalsContact CD1-CE1 3.5Å; W179-F182 AromaticContact CD1-CZ 3.27Å; W179-F182 HydrophobicContact CD2-CZ 4.24Å; W179-F182 AromaticContact CE2-CZ 3.97Å; W179-F182 HydrophobicContact CG-CE1 4.2Å; W179-F182 AromaticContact CG-CZ 3.82Å; W179-F182 HydrophobicContact CG-CZ 3.82Å; W179-F182 AromaticContact NE1-CE1 3.97Å; W179-F182 AromaticContact NE1-CZ 3.38Å; F182-T184 PolarHBondContact O-N 2.89Å |
| 183 | D | 54 | Low | 61.9 | Low | 170 Ų | 170 | 75.9 Ų | 75.9 | 91% | 0.909 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -16.7 | 174.1 | -64.9 | -24.4 | 0 | 0 | 0 | 112.6 | E181 | E181-D183 PolarHBondContact O-N 3.17Å; E181-D183 VanDerWaalsContact O-N 3.07Å |
| 184 | T | 55.9 | Low | 62.8 | Low | 77 Ų | 77 | 79.8 Ų | 79.8 | 47% | 0.472 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -112.1 | 103.2 | -176 | -47.4 | 0 | 0 | 0 | 0 | 110.8 | E181 F182 V186 | E181-T184 PolarHBondContact O-N 2.86Å; F182-T184 PolarHBondContact O-N 2.89Å; T184-V186 PolarHBondContact O-N 2.86Å |
| 185 | L | 59.7 | Low | 64 | Low | 64 Ų | 64 | 82.8 Ų | 82.8 | 34% | 0.335 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 117.7 | 161.9 | 175.2 | 66.5 | 0 | 0 | 0 | 108.9 | E175 F177 R188 | E175-L185 HydrophobicContact CB-CD1 3.67Å; E175-L185 HydrophobicContact CG-CD1 3.99Å; F177-L185 HydrophobicContact CE1-CB 4.28Å; F177-L185 HydrophobicContact CE1-CD1 4.34Å; F177-L185 HydrophobicContact CZ-CD1 4.16Å; L185-R188 HydrophobicContact CD2-CG 4.08Å |
| 186 | V | 64.8 | Low | 65 | Low | 63 Ų | 63 | 82 Ų | 82 | 38% | 0.382 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -49.1 | -176 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | L176 K178 T184 | L176-V186 VanDerWaalsContact O-CB 3.28Å; L176-V186 WeakPolarHBondContact O-CB 3.34Å; L176-V186 PolarHBondContact O-N 2.92Å; K178-V186 HydrophobicContact CB-CG2 3.91Å; K178-V186 HydrophobicContact CD-CG2 4.02Å; K178-V186 HydrophobicContact CG-CG2 3.71Å; T184-V186 PolarHBondContact O-N 2.86Å |
| 187 | E | 67.5 | Low | 66.3 | Low | 70 Ų | 70 | 81.9 Ų | 81.9 | 33% | 0.327 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 148.1 | -176.4 | -170.8 | 171.4 | 171.7 | 0 | 0 | 111 | L176 | L176-E187 PolarHBondContact N-O 3.02Å |
| 188 | R | 68.6 | Low | 67.8 | Low | 145 Ų | 145 | 79.8 Ų | 79.8 | 55% | 0.547 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 110.5 | 163.6 | -82.7 | 178.6 | 177.6 | 148.4 | 4.5 | 109.6 | Y173 L174 E175 L185 | Y173-R188 HydrophobicContact CD1-CB 4.2Å; L174-R188 CarbonylContact O-C 3.54Å; L174-R188 WeakPolarHBondContact O-CA 3.21Å; E175-R188 HydrophobicContact CG-CG 4.17Å; E175-R188 IonicContact OE1-CZ 3.37Å; E175-R188 IonicContact OE1-NE 2.9Å; E175-R188 PolarHBondContact OE1-NE 3.27Å; E175-R188 IonicContact OE1-NH2 2.93Å; E175-R188 PolarHBondContact OE1-NH2 2.92Å; L185-R188 HydrophobicContact CD2-CG 4.08Å |
| 189 | A | 72.1 | Confident | 69.9 | Low | 2 Ų | 2 | 74.7 Ų | 74.7 | 2% | 0.017 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 114.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y173 L174 L176 T191 M220 N225 | Y173-A189 WeakPolarHBondContact CA-O 3.38Å; L174-A189 HydrophobicContact CB-CB 4.2Å; L174-A189 PolarHBondContact N-O 2.81Å; L174-A189 PolarHBondContact O-N 3.27Å; L176-A189 HydrophobicContact CD1-CB 3.99Å; A189-T191 PolarHBondContact O-N 3.42Å; A189-M220 HydrophobicContact CB-CE 3.97Å; A189-N225 WeakPolarHBondContact CA-ND2 3.18Å; A189-N225 HydrophobicContact CB-CB 4.44Å |
| 190 | K | 77.4 | Confident | 72.2 | Confident | 124 Ų | 124 | 70.6 Ų | 70.6 | 54% | 0.539 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 104.7 | 171.3 | -168.7 | 178.4 | -176.6 | -179.2 | 0 | 110.4 | Y173 G192 N225 | Y173-K190 HydrophobicContact CD1-CB 4.08Å; Y173-K190 HydrophobicContact CD1-CG 4.43Å; Y173-K190 HydrophobicContact CE1-CB 3.74Å; Y173-K190 HydrophobicContact CE1-CD 4.39Å; Y173-K190 HydrophobicContact CE1-CG 3.86Å; K190-G192 PolarHBondContact O-N 2.84Å; K190-N225 PolarHBondContact N-ND2 2.84Å; K190-N225 PolarHBondContact O-OD1 2.98Å |
| 191 | T | 78.9 | Confident | 74.1 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -70.5 | -17.8 | 174 | 68.7 | 0 | 0 | 0 | 0 | 113 | G172 L174 A189 H193 V197 T210 M220 | G172-T191 WeakPolarHBondContact O-CB 3.3Å; G172-T191 WeakPolarHBondContact O-CG2 3.31Å; G172-T191 PolarHBondContact O-OG1 3.28Å; L174-T191 HydrophobicContact CD1-CG2 3.78Å; L174-T191 HydrophobicContact CG-CG2 3.62Å; A189-T191 PolarHBondContact O-N 3.42Å; T191-H193 VanDerWaalsContact C-N 3.26Å; T191-H193 VanDerWaalsContact OG1-CB 3.31Å; T191-H193 WeakPolarHBondContact OG1-CB 3.22Å; T191-H193 PolarHBondContact OG1-CD2 2.84Å; T191-H193 PolarHBondContact OG1-N 3.16Å; T191-V197 HydrophobicContact CG2-CG2 4.06Å; T191-T210 HydrophobicContact CG2-CG2 4.12Å; T191-M220 HydrophobicContact CG2-SD 3.75Å | ||
| 192 | G | 81.2 | Confident | 75.6 | Confident | 29 Ų | 29 | 63.5 Ų | 63.5 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | trans | 82.4 | -4.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K190 R218 | K190-G192 PolarHBondContact O-N 2.84Å; G192-R218 PolarHBondContact O-NH1 3.31Å | ||
| 193 | H | 85.6 | Confident | 77 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 2% | 0.023 | 32% | 0.315 | C | S | . | . | trans | -59.6 | 143 | -178.7 | -77.1 | -65.9 | 0 | 0 | 0 | 110.9 | T191 V197 T210 S212 D214 T216 R218 | T191-H193 VanDerWaalsContact C-N 3.26Å; T191-H193 VanDerWaalsContact OG1-CB 3.31Å; T191-H193 WeakPolarHBondContact OG1-CB 3.22Å; T191-H193 PolarHBondContact OG1-CD2 2.84Å; T191-H193 PolarHBondContact OG1-N 3.16Å; H193-V197 HydrophobicContact CB-CG2 4.41Å; H193-T210 PolarHBondContact CD2-OG1 2.86Å; H193-T210 PolarHBondContact NE2-O 3.24Å; H193-T210 PolarHBondContact NE2-OG1 3.28Å; H193-S212 VanDerWaalsContact CE1-CB 3.44Å; H193-S212 WeakPolarHBondContact CE1-CB 3.25Å; H193-S212 VanDerWaalsContact CG-CB 3.42Å; H193-S212 WeakPolarHBondContact ND1-CB 3.25Å; H193-D214 VanDerWaalsContact CA-OD2 3.3Å; H193-D214 WeakPolarHBondContact CA-OD2 3.39Å; H193-D214 IonicContact CE1-OD1 2.65Å; H193-D214 IonicContact CG-OD2 3.66Å; H193-D214 IonicContact ND1-OD1 3.6Å; H193-D214 PolarHBondContact ND1-OD1 3.18Å; H193-D214 VanDerWaalsContact ND1-OD1 3.13Å; H193-D214 IonicContact ND1-OD2 3.61Å; H193-D214 PolarHBondContact ND1-OD2 3.32Å; H193-T216 PolarHBondContact CE1-O 2.78Å; H193-T216 VanDerWaalsContact CE1-O 3.28Å; H193-T216 PolarHBondContact CE1-OG1 3.33Å; H193-T216 VanDerWaalsContact CE1-OG1 3.3Å; H193-T216 PolarHBondContact ND1-OG1 2.92Å; H193-R218 VanDerWaalsContact CA-NH1 3.27Å; H193-R218 VanDerWaalsContact CE1-CD 3.5Å; H193-R218 WeakPolarHBondContact CE1-CD 3.11Å | ||
| 194 | K | 86 | Confident | 78.3 | Confident | 174 Ų | 174 | 55.8 Ų | 55.8 | 76% | 0.757 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -89.8 | -8.5 | -178.4 | -64.8 | -179.4 | -177.9 | 174.6 | 0 | 112.4 | D214 | K194-D214 HydrophobicContact CB-CB 4.1Å; K194-D214 PolarHBondContact N-OD2 3.45Å |
| 195 | D | 86.5 | Confident | 79 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 41% | 0.406 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -138.6 | -171.1 | 178.7 | -144.9 | -32 | 0 | 0 | 0 | 110.6 | G172 S212 L213 D214 | G172-D195 WeakPolarHBondContact CA-O 3.43Å; G172-D195 PolarHBondContact N-O 2.73Å; D195-S212 PolarHBondContact O-OG 2.88Å; D195-L213 HydrophobicContact CB-CB 4.02Å; D195-D214 HydrophobicContact CB-CB 3.96Å |
| 196 | T | 85.7 | Confident | 79.9 | Confident | 55 Ų | 55 | 58.3 Ų | 58.3 | 34% | 0.337 | 30% | 0.299 | S | S | . | . | trans | -58.6 | 143.7 | 177.9 | 56.4 | 0 | 0 | 0 | 0 | 111.5 | E198 S212 L213 | T196-E198 VanDerWaalsContact CB-OE1 3.3Å; T196-E198 WeakPolarHBondContact CB-OE1 3.48Å; T196-E198 PolarHBondContact OG1-OE1 3Å; T196-S212 WeakPolarHBondContact O-CA 3.45Å; T196-S212 WeakPolarHBondContact O-CB 3.3Å; T196-S212 PolarHBondContact O-OG 2.93Å; T196-L213 PolarHBondContact O-N 2.84Å; T196-L213 VanDerWaalsContact O-N 3.1Å; T196-L213 WeakPolarHBondContact OG1-CD1 3.38Å; T196-L213 VanDerWaalsContact OG1-CG 3.24Å; T196-L213 WeakPolarHBondContact OG1-CG 3.4Å | ||
| 197 | V | 84.5 | Confident | 80.7 | Confident | 28 Ų | 28 | 57 Ų | 57 | 17% | 0.17 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 117.5 | 165.6 | -178.6 | 0 | 0 | 0 | 0 | 106.3 | L174 T191 H193 D199 T210 A211 | L174-V197 HydrophobicContact CD2-CG1 4.19Å; T191-V197 HydrophobicContact CG2-CG2 4.06Å; H193-V197 HydrophobicContact CB-CG2 4.41Å; V197-D199 WeakPolarHBondContact CG1-O 3.15Å; V197-T210 HydrophobicContact CG1-CG2 4.29Å; V197-A211 CarbonylContact C-O 3.59Å; V197-A211 VanDerWaalsContact CA-O 3.28Å; V197-A211 WeakPolarHBondContact CA-O 3.49Å; V197-A211 WeakPolarHBondContact CG1-O 3.39Å |
| 198 | E | 86.6 | Confident | 81.6 | Confident | 27 Ų | 27 | 53.7 Ų | 53.7 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -30.8 | -179.3 | -66.4 | -58.7 | 129.3 | 0 | 0 | 111.8 | T196 A211 L213 | T196-E198 VanDerWaalsContact CB-OE1 3.3Å; T196-E198 WeakPolarHBondContact CB-OE1 3.48Å; T196-E198 PolarHBondContact OG1-OE1 3Å; E198-A211 PolarHBondContact N-O 3.16Å; E198-L213 HydrophobicContact CG-CD1 4.44Å; E198-L213 HydrophobicContact CG-CD2 3.66Å; E198-L213 HydrophobicContact CG-CG 3.69Å |
| 199 | D | 87.4 | Confident | 82.6 | Confident | 22 Ų | 22 | 46.8 Ų | 46.8 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 154.9 | -174.2 | -161.3 | 10.8 | 0 | 0 | 0 | 112.8 | V197 T210 A211 A240 I241 | V197-D199 WeakPolarHBondContact CG1-O 3.15Å; D199-T210 WeakPolarHBondContact O-CA 3.17Å; D199-A211 HydrophobicContact CB-CB 4.15Å; D199-A211 PolarHBondContact O-N 3.27Å; D199-A240 WeakPolarHBondContact OD2-CA 3.48Å; D199-I241 HydrophobicContact CB-CG1 4.01Å; D199-I241 PolarHBondContact OD2-N 3.46Å; D199-I241 VanDerWaalsContact OD2-O 3.12Å |
| 200 | I | 84.9 | Confident | 83.4 | Confident | 34 Ų | 34 | 46.7 Ų | 46.7 | 17% | 0.174 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 129.9 | -177.1 | -176 | 171.1 | 0 | 0 | 0 | 110.4 | T160 L174 I208 V209 T210 | T160-I200 HydrophobicContact CG2-CG2 3.98Å; L174-I200 HydrophobicContact CD1-CD1 3.99Å; L174-I200 HydrophobicContact CD2-CD1 3.94Å; I200-I208 HydrophobicContact CD1-CB 4.26Å; I200-I208 HydrophobicContact CD1-CD1 3.5Å; I200-I208 VanDerWaalsContact CD1-CD1 3.5Å; I200-I208 HydrophobicContact CD1-CG1 4.46Å; I200-I208 HydrophobicContact CD1-CG2 4.32Å; I200-I208 HydrophobicContact CG1-CB 4.21Å; I200-I208 HydrophobicContact CG1-CD1 4.15Å; I200-V209 CarbonylContact C-O 3.53Å; I200-V209 WeakPolarHBondContact CA-O 3.24Å; I200-T210 HydrophobicContact CG1-CG2 4.35Å |
| 201 | C | 85.8 | Confident | 84.1 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 9% | 0.088 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 131.2 | 174.1 | -174.4 | 0 | 0 | 0 | 0 | 109.8 | I208 V209 I241 I243 | C201-I208 CarbonylContact O-C 3.55Å; C201-I208 VanDerWaalsContact O-CA 3.24Å; C201-I208 WeakPolarHBondContact O-CA 3.34Å; C201-V209 HydrophobicContact CB-CB 4.47Å; C201-V209 PolarHBondContact N-O 3.15Å; C201-V209 PolarHBondContact O-N 2.79Å; C201-I241 HydrophobicContact CB-CD1 4.12Å; C201-I241 HydrophobicContact CB-CG1 4.39Å; C201-I243 HydrophobicContact CB-CD1 4.38Å; C201-I243 HydrophobicContact CB-CG1 4.5Å |
| 202 | V | 81.8 | Confident | 84.6 | Confident | 79 Ų | 79 | 40.8 Ų | 40.8 | 48% | 0.479 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 126.4 | 176.4 | 179.9 | 0 | 0 | 0 | 0 | 109.2 | D204 I208 | V202-D204 VanDerWaalsContact CG1-O 3.29Å; V202-D204 WeakPolarHBondContact CG1-O 3.45Å; V202-I208 HydrophobicContact CG2-CG2 4.14Å |
| 203 | I | 83 | Confident | 85.1 | Confident | 22 Ų | 22 | 41.7 Ų | 41.7 | 11% | 0.113 | 22% | 0.217 | C | C | . | . | trans | -90.9 | -49.3 | 175.1 | -57.7 | 169.3 | 0 | 0 | 0 | 110.3 | R207 V209 L219 I243 F264 | I203-R207 HydrophobicContact CB-CB 4.16Å; I203-R207 HydrophobicContact CD1-CB 4.19Å; I203-R207 PolarHBondContact N-O 2.74Å; I203-V209 HydrophobicContact CD1-CG2 3.62Å; I203-V209 HydrophobicContact CG1-CG2 3.99Å; I203-L219 HydrophobicContact CD1-CD1 3.33Å; I203-I243 HydrophobicContact CD1-CD1 4.28Å; I203-I243 HydrophobicContact CG1-CD1 3.52Å; I203-F264 HydrophobicContact CD1-CE1 3.97Å; I203-F264 HydrophobicContact CD1-CZ 3.69Å; I203-F264 HydrophobicContact CG1-CE1 4.45Å | ||
| 204 | D | 79.9 | Confident | 85.5 | Confident | 62 Ų | 62 | 43.4 Ų | 43.4 | 33% | 0.332 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -150.9 | -175.3 | -177.5 | 65.3 | 45.3 | 0 | 0 | 0 | 110.4 | V202 N206 R207 | V202-D204 VanDerWaalsContact CG1-O 3.29Å; V202-D204 WeakPolarHBondContact CG1-O 3.45Å; D204-N206 PolarHBondContact O-N 3.35Å; D204-N206 WeakPolarHBondContact OD1-CA 3.26Å; D204-N206 PolarHBondContact OD1-N 3.13Å; D204-R207 PolarHBondContact N-O 2.85Å; D204-R207 WeakPolarHBondContact OD1-CB 3.26Å; D204-R207 PolarHBondContact OD1-N 2.91Å; D204-R207 WeakPolarHBondContact OD2-CD 3.5Å; D204-R207 IonicContact OD2-NE 2.7Å |
| 205 | D | 70.8 | Confident | 85.9 | Confident | 151 Ų | 151 | 35.3 Ų | 35.3 | 81% | 0.807 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -53.8 | -19.4 | -178.3 | -74.7 | -18 | 0 | 0 | 0 | 114.6 | ||
| 206 | N | 78 | Confident | 86.3 | Confident | 44 Ų | 44 | 32.8 Ų | 32.8 | 24% | 0.235 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -129.8 | -20.7 | -173.5 | -163.5 | 28.1 | 0 | 0 | 0 | 114.4 | D204 N221 L222 Y223 | D204-N206 PolarHBondContact O-N 3.35Å; D204-N206 WeakPolarHBondContact OD1-CA 3.26Å; D204-N206 PolarHBondContact OD1-N 3.13Å; N206-N221 CarbonylContact O-C 3.54Å; N206-N221 WeakPolarHBondContact O-CA 3.42Å; N206-L222 PolarHBondContact O-N 2.8Å; N206-Y223 PolarHBondContact ND2-O 2.71Å; N206-Y223 VanDerWaalsContact OD1-CA 3.32Å; N206-Y223 WeakPolarHBondContact OD1-CA 3.21Å; N206-Y223 WeakPolarHBondContact OD1-CB 3.43Å; N206-Y223 PolarHBondContact OD1-N 3.27Å; N206-Y223 PolarHBondContact OD1-O 3.09Å; N206-Y223 VanDerWaalsContact OD1-O 3.07Å |
| 207 | R | 83 | Confident | 86.7 | Confident | 35 Ų | 35 | 30.2 Ų | 30.2 | 13% | 0.132 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135.8 | -173.4 | -66 | 179 | -169.2 | -179.6 | 5.3 | 111.7 | I203 D204 L219 M220 N221 S266 | I203-R207 HydrophobicContact CB-CB 4.16Å; I203-R207 HydrophobicContact CD1-CB 4.19Å; I203-R207 PolarHBondContact N-O 2.74Å; D204-R207 PolarHBondContact N-O 2.85Å; D204-R207 WeakPolarHBondContact OD1-CB 3.26Å; D204-R207 PolarHBondContact OD1-N 2.91Å; D204-R207 WeakPolarHBondContact OD2-CD 3.5Å; D204-R207 IonicContact OD2-NE 2.7Å; R207-L219 HydrophobicContact CB-CD1 4.36Å; R207-M220 WeakPolarHBondContact CA-O 3.45Å; R207-N221 VanDerWaalsContact CG-OD1 3.24Å; R207-N221 WeakPolarHBondContact CG-OD1 3.44Å; R207-S266 PolarHBondContact NH1-O 3.23Å |
| 208 | I | 85.5 | Confident | 87 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 156.3 | 175.8 | 62.1 | 169 | 0 | 0 | 0 | 110.3 | L174 I200 C201 V202 T210 M220 L222 | L174-I208 HydrophobicContact CD1-CD1 3.23Å; I200-I208 HydrophobicContact CD1-CB 4.26Å; I200-I208 HydrophobicContact CD1-CD1 3.5Å; I200-I208 VanDerWaalsContact CD1-CD1 3.5Å; I200-I208 HydrophobicContact CD1-CG1 4.46Å; I200-I208 HydrophobicContact CD1-CG2 4.32Å; I200-I208 HydrophobicContact CG1-CB 4.21Å; I200-I208 HydrophobicContact CG1-CD1 4.15Å; C201-I208 CarbonylContact O-C 3.55Å; C201-I208 VanDerWaalsContact O-CA 3.24Å; C201-I208 WeakPolarHBondContact O-CA 3.34Å; V202-I208 HydrophobicContact CG2-CG2 4.14Å; I208-T210 HydrophobicContact CD1-CG2 3.95Å; I208-T210 HydrophobicContact CG1-CG2 4.49Å; I208-M220 HydrophobicContact CD1-CE 4.21Å; I208-M220 HydrophobicContact CD1-CG 3.71Å; I208-M220 HydrophobicContact CD1-SD 3.79Å; I208-M220 HydrophobicContact CG1-CG 3.38Å; I208-M220 HydrophobicContact CG1-SD 4.17Å; I208-M220 PolarHBondContact N-O 2.7Å; I208-M220 PolarHBondContact O-N 2.87Å; I208-L222 HydrophobicContact CD1-CD2 3.64Å; I208-L222 HydrophobicContact CD1-CG 4.22Å; I208-L222 HydrophobicContact CG1-CD2 4.29Å; I208-L222 HydrophobicContact CG1-CG 4.36Å; I208-L222 HydrophobicContact CG2-CD1 3.92Å; I208-L222 HydrophobicContact CG2-CG 4.11Å |
| 209 | V | 89.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 137.4 | 165.8 | -172.2 | 0 | 0 | 0 | 0 | 108.3 | I200 C201 I203 V217 R218 L219 V231 I241 I243 L250 F264 | I200-V209 CarbonylContact C-O 3.53Å; I200-V209 WeakPolarHBondContact CA-O 3.24Å; C201-V209 HydrophobicContact CB-CB 4.47Å; C201-V209 PolarHBondContact N-O 3.15Å; C201-V209 PolarHBondContact O-N 2.79Å; I203-V209 HydrophobicContact CD1-CG2 3.62Å; I203-V209 HydrophobicContact CG1-CG2 3.99Å; V209-V217 HydrophobicContact CG1-CG1 3.18Å; V209-R218 CarbonylContact C-O 3.53Å; V209-R218 WeakPolarHBondContact CA-O 3.2Å; V209-L219 HydrophobicContact CG2-CD1 4.31Å; V209-V231 HydrophobicContact CG1-CG2 4.1Å; V209-I241 HydrophobicContact CB-CD1 3.88Å; V209-I241 HydrophobicContact CG1-CD1 3.65Å; V209-I241 VanDerWaalsContact O-CD1 3.28Å; V209-I241 WeakPolarHBondContact O-CD1 3.09Å; V209-I243 HydrophobicContact CG2-CD1 3.91Å; V209-L250 HydrophobicContact CG1-CD1 4.18Å; V209-F264 HydrophobicContact CG2-CZ 4Å |
| 210 | T | 89.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138.9 | 176.7 | 55.5 | 0 | 0 | 0 | 0 | 110.7 | L174 T191 H193 V197 D199 I200 I208 V217 R218 M220 | L174-T210 HydrophobicContact CD1-CG2 3.88Å; L174-T210 HydrophobicContact CD2-CG2 4.36Å; L174-T210 HydrophobicContact CG-CG2 4.47Å; T191-T210 HydrophobicContact CG2-CG2 4.12Å; H193-T210 PolarHBondContact CD2-OG1 2.86Å; H193-T210 PolarHBondContact NE2-O 3.24Å; H193-T210 PolarHBondContact NE2-OG1 3.28Å; V197-T210 HydrophobicContact CG1-CG2 4.29Å; D199-T210 WeakPolarHBondContact O-CA 3.17Å; I200-T210 HydrophobicContact CG1-CG2 4.35Å; I208-T210 HydrophobicContact CD1-CG2 3.95Å; I208-T210 HydrophobicContact CG1-CG2 4.49Å; T210-V217 CarbonylContact O-C 3.49Å; T210-V217 VanDerWaalsContact O-CA 3.29Å; T210-V217 WeakPolarHBondContact O-CA 3.32Å; T210-R218 PolarHBondContact N-O 3.18Å; T210-R218 PolarHBondContact O-N 3.38Å; T210-M220 HydrophobicContact CG2-SD 4.27Å |
| 211 | A | 91.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 142.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V197 E198 D199 V238 I241 | V197-A211 CarbonylContact C-O 3.59Å; V197-A211 VanDerWaalsContact CA-O 3.28Å; V197-A211 WeakPolarHBondContact CA-O 3.49Å; V197-A211 WeakPolarHBondContact CG1-O 3.39Å; E198-A211 PolarHBondContact N-O 3.16Å; D199-A211 HydrophobicContact CB-CB 4.15Å; D199-A211 PolarHBondContact O-N 3.27Å; A211-V238 HydrophobicContact CB-CB 4.02Å; A211-V238 HydrophobicContact CB-CG1 3.75Å; A211-I241 HydrophobicContact CB-CB 4.29Å; A211-I241 HydrophobicContact CB-CD1 3.96Å; A211-I241 HydrophobicContact CB-CG1 3.81Å; A211-I241 HydrophobicContact CB-CG2 3.62Å |
| 212 | S | 90.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 153.9 | -176.4 | 177.5 | 0 | 0 | 0 | 0 | 113.2 | H193 D195 T196 D214 G215 T216 V238 | H193-S212 VanDerWaalsContact CE1-CB 3.44Å; H193-S212 WeakPolarHBondContact CE1-CB 3.25Å; H193-S212 VanDerWaalsContact CG-CB 3.42Å; H193-S212 WeakPolarHBondContact ND1-CB 3.25Å; D195-S212 PolarHBondContact O-OG 2.88Å; T196-S212 WeakPolarHBondContact O-CA 3.45Å; T196-S212 WeakPolarHBondContact O-CB 3.3Å; T196-S212 PolarHBondContact O-OG 2.93Å; S212-D214 WeakPolarHBondContact CB-OD1 3.17Å; S212-D214 PolarHBondContact O-N 2.9Å; S212-D214 VanDerWaalsContact O-N 3.09Å; S212-D214 PolarHBondContact OG-N 3Å; S212-D214 VanDerWaalsContact OG-N 3.09Å; S212-D214 PolarHBondContact OG-OD1 2.85Å; S212-G215 PolarHBondContact O-N 2.79Å; S212-T216 PolarHBondContact N-O 2.81Å; S212-V238 CarbonylContact C-O 3.52Å; S212-V238 PolarHBondContact O-N 2.79Å |
| 213 | L | 91.8 | Very high | 86.1 | Confident | 48 Ų | 48 | 29.5 Ų | 29.5 | 25% | 0.251 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -9.7 | 167 | -63.6 | -171.6 | 0 | 0 | 0 | 113.4 | D195 T196 E198 G215 G237 | D195-L213 HydrophobicContact CB-CB 4.02Å; T196-L213 PolarHBondContact O-N 2.84Å; T196-L213 VanDerWaalsContact O-N 3.1Å; T196-L213 WeakPolarHBondContact OG1-CD1 3.38Å; T196-L213 VanDerWaalsContact OG1-CG 3.24Å; T196-L213 WeakPolarHBondContact OG1-CG 3.4Å; E198-L213 HydrophobicContact CG-CD1 4.44Å; E198-L213 HydrophobicContact CG-CD2 3.66Å; E198-L213 HydrophobicContact CG-CG 3.69Å; L213-G215 PolarHBondContact O-N 2.68Å; L213-G237 WeakPolarHBondContact O-CA 3.27Å |
| 214 | D | 92.7 | Very high | 86 | Confident | 40 Ų | 40 | 33.2 Ų | 33.2 | 21% | 0.214 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -0 | 169.3 | 78.4 | 6.6 | 0 | 0 | 0 | 114.3 | H193 K194 D195 S212 T216 R218 | H193-D214 VanDerWaalsContact CA-OD2 3.3Å; H193-D214 WeakPolarHBondContact CA-OD2 3.39Å; H193-D214 IonicContact CE1-OD1 2.65Å; H193-D214 IonicContact CG-OD2 3.66Å; H193-D214 IonicContact ND1-OD1 3.6Å; H193-D214 PolarHBondContact ND1-OD1 3.18Å; H193-D214 VanDerWaalsContact ND1-OD1 3.13Å; H193-D214 IonicContact ND1-OD2 3.61Å; H193-D214 PolarHBondContact ND1-OD2 3.32Å; K194-D214 HydrophobicContact CB-CB 4.1Å; K194-D214 PolarHBondContact N-OD2 3.45Å; D195-D214 HydrophobicContact CB-CB 3.96Å; S212-D214 WeakPolarHBondContact CB-OD1 3.17Å; S212-D214 PolarHBondContact O-N 2.9Å; S212-D214 VanDerWaalsContact O-N 3.09Å; S212-D214 PolarHBondContact OG-N 3Å; S212-D214 VanDerWaalsContact OG-N 3.09Å; S212-D214 PolarHBondContact OG-OD1 2.85Å; D214-T216 VanDerWaalsContact C-N 3.34Å; D214-T216 WeakPolarHBondContact OD1-CB 3.16Å; D214-T216 PolarHBondContact OD1-N 2.92Å; D214-T216 PolarHBondContact OD1-OG1 3.21Å; D214-R218 IonicContact OD1-NH2 3.13Å; D214-R218 IonicContact OD2-CZ 3.75Å; D214-R218 IonicContact OD2-NH2 3Å; D214-R218 PolarHBondContact OD2-NH2 2.81Å |
| 215 | G | 93.9 | Very high | 85.8 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 82.5 | 7.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S212 L213 V233 H234 D236 | S212-G215 PolarHBondContact O-N 2.79Å; L213-G215 PolarHBondContact O-N 2.68Å; G215-V233 WeakPolarHBondContact O-CA 3.35Å; G215-H234 PolarHBondContact O-N 3.41Å; G215-D236 VanDerWaalsContact CA-O 3.27Å; G215-D236 WeakPolarHBondContact CA-O 3.21Å |
| 216 | T | 95.2 | Very high | 86.5 | Confident | 23 Ų | 23 | 31.2 Ų | 31.2 | 14% | 0.141 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 149.7 | -178.8 | 69.1 | 0 | 0 | 0 | 0 | 112.6 | H193 S212 D214 R218 | H193-T216 PolarHBondContact CE1-O 2.78Å; H193-T216 VanDerWaalsContact CE1-O 3.28Å; H193-T216 PolarHBondContact CE1-OG1 3.33Å; H193-T216 VanDerWaalsContact CE1-OG1 3.3Å; H193-T216 PolarHBondContact ND1-OG1 2.92Å; S212-T216 PolarHBondContact N-O 2.81Å; D214-T216 VanDerWaalsContact C-N 3.34Å; D214-T216 WeakPolarHBondContact OD1-CB 3.16Å; D214-T216 PolarHBondContact OD1-N 2.92Å; D214-T216 PolarHBondContact OD1-OG1 3.21Å; T216-R218 VanDerWaalsContact OG1-CZ 3.28Å; T216-R218 PolarHBondContact OG1-NE 2.87Å; T216-R218 PolarHBondContact OG1-NH2 2.79Å |
| 217 | V | 94.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.8 | 170.1 | -175.1 | 0 | 0 | 0 | 0 | 108.2 | V209 T210 V230 V231 G232 V238 I241 L250 | V209-V217 HydrophobicContact CG1-CG1 3.18Å; T210-V217 CarbonylContact O-C 3.49Å; T210-V217 VanDerWaalsContact O-CA 3.29Å; T210-V217 WeakPolarHBondContact O-CA 3.32Å; V217-V230 CarbonylContact O-C 3.53Å; V217-V230 WeakPolarHBondContact O-CA 3.34Å; V217-V231 HydrophobicContact CB-CG2 4.43Å; V217-V231 HydrophobicContact CG1-CG2 3.96Å; V217-V231 PolarHBondContact O-N 3.04Å; V217-G232 PolarHBondContact N-O 3.25Å; V217-G232 PolarHBondContact O-N 3.44Å; V217-V238 HydrophobicContact CG2-CB 4.41Å; V217-V238 HydrophobicContact CG2-CG1 3.95Å; V217-V238 HydrophobicContact CG2-CG2 4.04Å; V217-I241 HydrophobicContact CG1-CD1 4.45Å; V217-I241 HydrophobicContact CG1-CG2 3.85Å; V217-I241 HydrophobicContact CG2-CG2 3.85Å; V217-L250 HydrophobicContact CG1-CD2 3.93Å |
| 218 | R | 91.6 | Very high | 87.2 | Confident | 20 Ų | 20 | 33.6 Ų | 33.6 | 8% | 0.075 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 135.4 | -169.7 | -67.6 | -175.5 | -168.1 | 162.3 | 15.6 | 112.7 | G192 H193 V209 T210 D214 T216 A229 V230 | G192-R218 PolarHBondContact O-NH1 3.31Å; H193-R218 VanDerWaalsContact CA-NH1 3.27Å; H193-R218 VanDerWaalsContact CE1-CD 3.5Å; H193-R218 WeakPolarHBondContact CE1-CD 3.11Å; V209-R218 CarbonylContact C-O 3.53Å; V209-R218 WeakPolarHBondContact CA-O 3.2Å; T210-R218 PolarHBondContact N-O 3.18Å; T210-R218 PolarHBondContact O-N 3.38Å; D214-R218 IonicContact OD1-NH2 3.13Å; D214-R218 IonicContact OD2-CZ 3.75Å; D214-R218 IonicContact OD2-NH2 3Å; D214-R218 PolarHBondContact OD2-NH2 2.81Å; T216-R218 VanDerWaalsContact OG1-CZ 3.28Å; T216-R218 PolarHBondContact OG1-NE 2.87Å; T216-R218 PolarHBondContact OG1-NH2 2.79Å; R218-A229 WeakPolarHBondContact CA-O 3.42Å; R218-V230 HydrophobicContact CG-CG2 4.11Å |
| 219 | L | 91.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 130 | 169.2 | 175.9 | 64.5 | 0 | 0 | 0 | 109.2 | I203 R207 V209 I228 A229 V231 Y269 | I203-L219 HydrophobicContact CD1-CD1 3.33Å; R207-L219 HydrophobicContact CB-CD1 4.36Å; V209-L219 HydrophobicContact CG2-CD1 4.31Å; L219-I228 HydrophobicContact CD1-CD1 4.49Å; L219-I228 HydrophobicContact CD2-CB 4.29Å; L219-I228 HydrophobicContact CD2-CD1 4.22Å; L219-I228 HydrophobicContact CD2-CG2 4.15Å; L219-I228 HydrophobicContact CG-CB 4.1Å; L219-I228 HydrophobicContact CG-CD1 3.87Å; L219-I228 WeakPolarHBondContact O-CA 3.4Å; L219-I228 WeakPolarHBondContact O-CB 3.48Å; L219-I228 PolarHBondContact O-N 2.93Å; L219-A229 PolarHBondContact N-O 2.84Å; L219-A229 PolarHBondContact O-N 3Å; L219-V231 HydrophobicContact CB-CG1 3.68Å; L219-V231 HydrophobicContact CB-CG2 4.39Å; L219-V231 HydrophobicContact CD2-CG1 4.42Å; L219-Y269 HydrophobicContact CD2-CD1 4.37Å; L219-Y269 HydrophobicContact CD2-CD2 3.55Å; L219-Y269 HydrophobicContact CD2-CE2 4.42Å; L219-Y269 HydrophobicContact CD2-CG 3.52Å |
| 220 | M | 85.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 153 | 176.2 | 64.7 | 171.8 | -77.5 | 0 | 0 | 112.8 | L174 A189 T191 R207 I208 T210 L222 N225 K226 | L174-M220 HydrophobicContact CD1-CE 4.27Å; L174-M220 HydrophobicContact CD1-SD 3.9Å; A189-M220 HydrophobicContact CB-CE 3.97Å; T191-M220 HydrophobicContact CG2-SD 3.75Å; R207-M220 WeakPolarHBondContact CA-O 3.45Å; I208-M220 HydrophobicContact CD1-CE 4.21Å; I208-M220 HydrophobicContact CD1-CG 3.71Å; I208-M220 HydrophobicContact CD1-SD 3.79Å; I208-M220 HydrophobicContact CG1-CG 3.38Å; I208-M220 HydrophobicContact CG1-SD 4.17Å; I208-M220 PolarHBondContact N-O 2.7Å; I208-M220 PolarHBondContact O-N 2.87Å; T210-M220 HydrophobicContact CG2-SD 4.27Å; M220-L222 HydrophobicContact CE-CD2 4.44Å; M220-N225 WeakPolarHBondContact CE-OD1 3.28Å; M220-K226 WeakPolarHBondContact CA-O 3.39Å; M220-K226 WeakPolarHBondContact CB-O 3.29Å |
| 221 | N | 81.7 | Confident | 87.9 | Confident | 8 Ų | 8 | 39.1 Ų | 39.1 | 4% | 0.043 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 140.4 | 165 | -77.6 | -28.4 | 0 | 0 | 0 | 109.6 | N206 R207 P224 N225 K226 I228 | N206-N221 CarbonylContact O-C 3.54Å; N206-N221 WeakPolarHBondContact O-CA 3.42Å; R207-N221 VanDerWaalsContact CG-OD1 3.24Å; R207-N221 WeakPolarHBondContact CG-OD1 3.44Å; N221-P224 WeakPolarHBondContact CB-O 3.49Å; N221-N225 WeakPolarHBondContact O-CA 3.38Å; N221-K226 PolarHBondContact N-O 3.45Å; N221-K226 PolarHBondContact O-N 2.83Å; N221-K226 VanDerWaalsContact O-N 3.09Å; N221-I228 HydrophobicContact CB-CD1 4.43Å; N221-I228 WeakPolarHBondContact OD1-CD1 3.41Å |
| 222 | L | 73.5 | Confident | 88 | Confident | 31 Ų | 31 | 40 Ų | 40 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -42.8 | 167.6 | -70.3 | 176.2 | 0 | 0 | 0 | 111.1 | L176 N206 I208 M220 P224 N225 | L176-L222 HydrophobicContact CD2-CD2 4.43Å; N206-L222 PolarHBondContact O-N 2.8Å; I208-L222 HydrophobicContact CD1-CD2 3.64Å; I208-L222 HydrophobicContact CD1-CG 4.22Å; I208-L222 HydrophobicContact CG1-CD2 4.29Å; I208-L222 HydrophobicContact CG1-CG 4.36Å; I208-L222 HydrophobicContact CG2-CD1 3.92Å; I208-L222 HydrophobicContact CG2-CG 4.11Å; M220-L222 HydrophobicContact CE-CD2 4.44Å; L222-P224 CarbonylContact O-C 3.48Å; L222-P224 VanDerWaalsContact O-C 3.31Å; L222-N225 WeakPolarHBondContact O-CA 3.3Å; L222-N225 PolarHBondContact O-N 3.23Å |
| 223 | Y | 74 | Confident | 88.2 | Confident | 129 Ų | 129 | 43.5 Ų | 43.5 | 51% | 0.506 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | 108.1 | -175.4 | -54.6 | -69 | 0 | 0 | 0 | 112.3 | L176 N206 | L176-Y223 WeakPolarHBondContact CD2-OH 3.48Å; N206-Y223 PolarHBondContact ND2-O 2.71Å; N206-Y223 VanDerWaalsContact OD1-CA 3.32Å; N206-Y223 WeakPolarHBondContact OD1-CA 3.21Å; N206-Y223 WeakPolarHBondContact OD1-CB 3.43Å; N206-Y223 PolarHBondContact OD1-N 3.27Å; N206-Y223 PolarHBondContact OD1-O 3.09Å; N206-Y223 VanDerWaalsContact OD1-O 3.07Å |
| 224 | P | 80.4 | Confident | 88.4 | Confident | 100 Ų | 100 | 41.4 Ų | 41.4 | 65% | 0.649 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -67.3 | 152.1 | -11.9 | 31.6 | -35.3 | 0 | 0 | 0 | 110.9 | N221 L222 K226 | N221-P224 WeakPolarHBondContact CB-O 3.49Å; L222-P224 CarbonylContact O-C 3.48Å; L222-P224 VanDerWaalsContact O-C 3.31Å; P224-K226 PolarHBondContact O-N 3.42Å |
| 225 | N | 76.7 | Confident | 88.5 | Confident | 50 Ų | 50 | 45.8 Ų | 45.8 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 105.3 | 174.3 | 171.3 | 14.8 | 0 | 0 | 0 | 110.1 | A189 K190 M220 N221 L222 | A189-N225 WeakPolarHBondContact CA-ND2 3.18Å; A189-N225 HydrophobicContact CB-CB 4.44Å; K190-N225 PolarHBondContact N-ND2 2.84Å; K190-N225 PolarHBondContact O-OD1 2.98Å; M220-N225 WeakPolarHBondContact CE-OD1 3.28Å; N221-N225 WeakPolarHBondContact O-CA 3.38Å; L222-N225 WeakPolarHBondContact O-CA 3.3Å; L222-N225 PolarHBondContact O-N 3.23Å |
| 226 | K | 84.6 | Confident | 88.6 | Confident | 121 Ų | 121 | 49.7 Ų | 49.7 | 53% | 0.526 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 121.8 | -177.5 | -178 | 177 | 178.5 | -175.7 | 0 | 110.3 | M220 N221 P224 I228 | M220-K226 WeakPolarHBondContact CA-O 3.39Å; M220-K226 WeakPolarHBondContact CB-O 3.29Å; N221-K226 PolarHBondContact N-O 3.45Å; N221-K226 PolarHBondContact O-N 2.83Å; N221-K226 VanDerWaalsContact O-N 3.09Å; P224-K226 PolarHBondContact O-N 3.42Å; K226-I228 PolarHBondContact O-N 3.41Å |
| 227 | M | 86.5 | Confident | 88.5 | Confident | 87 Ų | 87 | 48.6 Ų | 48.6 | 43% | 0.429 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 126.9 | 164.9 | -173.2 | -166.1 | 76 | 0 | 0 | 109.5 | ||
| 228 | I | 89.3 | Confident | 88.5 | Confident | 43 Ų | 43 | 48.6 Ų | 48.6 | 22% | 0.221 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -55.9 | -178.7 | -61.1 | 163.7 | 0 | 0 | 0 | 110.2 | L219 N221 K226 | L219-I228 HydrophobicContact CD1-CD1 4.49Å; L219-I228 HydrophobicContact CD2-CB 4.29Å; L219-I228 HydrophobicContact CD2-CD1 4.22Å; L219-I228 HydrophobicContact CD2-CG2 4.15Å; L219-I228 HydrophobicContact CG-CB 4.1Å; L219-I228 HydrophobicContact CG-CD1 3.87Å; L219-I228 WeakPolarHBondContact O-CA 3.4Å; L219-I228 WeakPolarHBondContact O-CB 3.48Å; L219-I228 PolarHBondContact O-N 2.93Å; N221-I228 HydrophobicContact CB-CD1 4.43Å; N221-I228 WeakPolarHBondContact OD1-CD1 3.41Å; K226-I228 PolarHBondContact O-N 3.41Å |
| 229 | A | 92.1 | Very high | 88.6 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 17% | 0.174 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 159.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R218 L219 V231 Y269 | R218-A229 WeakPolarHBondContact CA-O 3.42Å; L219-A229 PolarHBondContact N-O 2.84Å; L219-A229 PolarHBondContact O-N 3Å; A229-V231 HydrophobicContact CB-CG1 4.22Å; A229-Y269 HydrophobicContact CB-CD1 3.85Å; A229-Y269 HydrophobicContact CB-CE1 3.83Å |
| 230 | V | 93.1 | Very high | 88.7 | Confident | 73 Ų | 73 | 49 Ų | 49 | 44% | 0.442 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 120.9 | 159.3 | 179.2 | 0 | 0 | 0 | 0 | 106.8 | V217 R218 G232 V233 | V217-V230 CarbonylContact O-C 3.53Å; V217-V230 WeakPolarHBondContact O-CA 3.34Å; R218-V230 HydrophobicContact CG-CG2 4.11Å; V230-G232 WeakPolarHBondContact CG1-O 3.47Å; V230-V233 HydrophobicContact CG1-CG2 3.77Å |
| 231 | V | 94.1 | Very high | 89.2 | Confident | 23 Ų | 23 | 49.2 Ų | 49.2 | 14% | 0.139 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | -6.8 | -174.6 | -64.1 | 0 | 0 | 0 | 0 | 112.7 | V209 V217 L219 A229 L250 F264 Y269 | V209-V231 HydrophobicContact CG1-CG2 4.1Å; V217-V231 HydrophobicContact CB-CG2 4.43Å; V217-V231 HydrophobicContact CG1-CG2 3.96Å; V217-V231 PolarHBondContact O-N 3.04Å; L219-V231 HydrophobicContact CB-CG1 3.68Å; L219-V231 HydrophobicContact CB-CG2 4.39Å; L219-V231 HydrophobicContact CD2-CG1 4.42Å; A229-V231 HydrophobicContact CB-CG1 4.22Å; V231-L250 HydrophobicContact CB-CD2 4.28Å; V231-L250 HydrophobicContact CG2-CD2 3.72Å; V231-F264 HydrophobicContact CB-CD2 4.41Å; V231-F264 HydrophobicContact CB-CE2 4.06Å; V231-F264 HydrophobicContact CG1-CE2 4.09Å; V231-F264 HydrophobicContact CG2-CE2 4.14Å; V231-Y269 HydrophobicContact CG1-CE1 4.44Å; V231-Y269 HydrophobicContact CG1-CE2 4.03Å |
| 232 | G | 93.4 | Very high | 89.8 | Confident | 18 Ų | 18 | 50.7 Ų | 50.7 | 19% | 0.186 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 152.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V217 V230 | V217-G232 PolarHBondContact N-O 3.25Å; V217-G232 PolarHBondContact O-N 3.44Å; V230-G232 WeakPolarHBondContact CG1-O 3.47Å |
| 233 | V | 95.6 | Very high | 90.8 | Very high | 73 Ų | 73 | 49.8 Ų | 49.8 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 133.6 | 178.6 | -178 | 0 | 0 | 0 | 0 | 109.7 | G215 V230 K260 | G215-V233 WeakPolarHBondContact O-CA 3.35Å; V230-V233 HydrophobicContact CG1-CG2 3.77Å; V233-K260 PolarHBondContact O-NZ 3.38Å |
| 234 | H | 95.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.019 | 24% | 0.244 | C | C | . | . | trans | -111.4 | 158.7 | 168.6 | -76.4 | -109.1 | 0 | 0 | 0 | 109.5 | G215 D236 V238 S252 D256 | G215-H234 PolarHBondContact O-N 3.41Å; H234-D236 WeakPolarHBondContact CB-O 3.23Å; H234-D236 PolarHBondContact O-N 3.16Å; H234-V238 HydrophobicContact CB-CG2 3.85Å; H234-S252 VanDerWaalsContact NE2-CB 3.34Å; H234-S252 WeakPolarHBondContact NE2-CB 3.38Å; H234-S252 PolarHBondContact NE2-OG 2.61Å; H234-D256 WeakPolarHBondContact CB-OD2 3.34Å; H234-D256 IonicContact CE1-OD1 3.83Å; H234-D256 IonicContact CE1-OD2 3.85Å; H234-D256 IonicContact CG-OD1 3.76Å; H234-D256 IonicContact CG-OD2 3.59Å; H234-D256 IonicContact ND1-OD1 3.92Å; H234-D256 PolarHBondContact ND1-OD1 3.22Å; H234-D256 IonicContact ND1-OD2 3.29Å; H234-D256 PolarHBondContact ND1-OD2 2.88Å | ||
| 235 | D | 95.4 | Very high | 92.2 | Very high | 132 Ų | 132 | 44 Ų | 44 | 71% | 0.706 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -74.3 | -17.9 | 177.2 | -70.9 | -33.7 | 0 | 0 | 0 | 112.2 | D256 | D235-D256 HydrophobicContact CB-CB 4.36Š|
| 236 | D | 95.1 | Very high | 92.8 | Very high | 87 Ų | 87 | 43.7 Ų | 43.7 | 47% | 0.465 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -141 | -178.1 | 177.5 | -154.4 | -15.1 | 0 | 0 | 0 | 110.2 | G215 H234 H255 D256 | G215-D236 VanDerWaalsContact CA-O 3.27Å; G215-D236 WeakPolarHBondContact CA-O 3.21Å; H234-D236 WeakPolarHBondContact CB-O 3.23Å; H234-D236 PolarHBondContact O-N 3.16Å; D236-H255 HydrophobicContact CB-CB 3.78Å; D236-D256 HydrophobicContact CB-CB 4.42Å |
| 237 | G | 94.2 | Very high | 93 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | trans | -55 | 137.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115 | L213 G254 H255 | L213-G237 WeakPolarHBondContact O-CA 3.27Å; G237-G254 CarbonylContact O-C 3.56Å; G237-G254 WeakPolarHBondContact O-CA 3.3Å; G237-H255 PolarHBondContact O-CD2 2.92Å; G237-H255 PolarHBondContact O-N 2.83Å | ||
| 238 | V | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 124.9 | 177.7 | -166.8 | 0 | 0 | 0 | 0 | 109.4 | A211 S212 V217 H234 I241 C253 | A211-V238 HydrophobicContact CB-CB 4.02Å; A211-V238 HydrophobicContact CB-CG1 3.75Å; S212-V238 CarbonylContact C-O 3.52Å; S212-V238 PolarHBondContact O-N 2.79Å; V217-V238 HydrophobicContact CG2-CB 4.41Å; V217-V238 HydrophobicContact CG2-CG1 3.95Å; V217-V238 HydrophobicContact CG2-CG2 4.04Å; H234-V238 HydrophobicContact CB-CG2 3.85Å; V238-I241 HydrophobicContact CG1-CG2 4.17Å; V238-C253 WeakPolarHBondContact CG1-O 3.32Å |
| 239 | E | 93 | Very high | 93.4 | Very high | 25 Ų | 25 | 42 Ų | 42 | 12% | 0.117 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -35.7 | -175.7 | -78.6 | -87.1 | 161.7 | 0 | 0 | 112.8 | C253 H255 | E239-C253 PolarHBondContact N-O 2.59Å; E239-H255 VanDerWaalsContact CG-CD2 3.44Å; E239-H255 WeakPolarHBondContact CG-CD2 3.22Å; E239-H255 WeakPolarHBondContact CG-NE2 3.21Å; E239-H255 IonicContact OE1-CD2 3.38Å; E239-H255 IonicContact OE1-CE1 3.52Å; E239-H255 IonicContact OE1-NE2 2.74Å; E239-H255 PolarHBondContact OE1-NE2 3.4Å |
| 240 | A | 94.2 | Very high | 93.6 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 151.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | D199 S252 C253 | D199-A240 WeakPolarHBondContact OD2-CA 3.48Å; A240-S252 CarbonylContact O-C 3.52Å; A240-S252 WeakPolarHBondContact O-CA 3.16Å; A240-C253 PolarHBondContact N-O 3.27Å; A240-C253 PolarHBondContact O-N 2.93Å |
| 241 | I | 94.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 149 | 176 | 49.6 | 167.3 | 0 | 0 | 0 | 110.3 | D199 C201 V209 A211 V217 V238 L251 | D199-I241 HydrophobicContact CB-CG1 4.01Å; D199-I241 PolarHBondContact OD2-N 3.46Å; D199-I241 VanDerWaalsContact OD2-O 3.12Å; C201-I241 HydrophobicContact CB-CD1 4.12Å; C201-I241 HydrophobicContact CB-CG1 4.39Å; V209-I241 HydrophobicContact CB-CD1 3.88Å; V209-I241 HydrophobicContact CG1-CD1 3.65Å; V209-I241 VanDerWaalsContact O-CD1 3.28Å; V209-I241 WeakPolarHBondContact O-CD1 3.09Å; A211-I241 HydrophobicContact CB-CB 4.29Å; A211-I241 HydrophobicContact CB-CD1 3.96Å; A211-I241 HydrophobicContact CB-CG1 3.81Å; A211-I241 HydrophobicContact CB-CG2 3.62Å; V217-I241 HydrophobicContact CG1-CD1 4.45Å; V217-I241 HydrophobicContact CG1-CG2 3.85Å; V217-I241 HydrophobicContact CG2-CG2 3.85Å; V238-I241 HydrophobicContact CG1-CG2 4.17Å; I241-L251 CarbonylContact C-O 3.55Å; I241-L251 WeakPolarHBondContact CA-O 3.19Å |
| 242 | D | 95.4 | Very high | 93.9 | Very high | 39 Ų | 39 | 36.9 Ų | 36.9 | 21% | 0.209 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 168.2 | 165.8 | -156.5 | 0.4 | 0 | 0 | 0 | 110.1 | L12 A13 A14 L251 | L12-D242 HydrophobicContact CD2-CB 3.69Å; A13-D242 WeakPolarHBondContact CA-OD2 3.42Å; A14-D242 HydrophobicContact CB-CB 4.28Å; A14-D242 WeakPolarHBondContact CB-OD2 3.46Å; A14-D242 PolarHBondContact N-OD2 3.46Å; D242-L251 PolarHBondContact N-O 3.04Å; D242-L251 WeakPolarHBondContact O-CA 3.48Å; D242-L251 WeakPolarHBondContact O-CB 3.18Å; D242-L251 PolarHBondContact O-N 2.7Å |
| 243 | I | 93.7 | Very high | 94.1 | Very high | 12 Ų | 12 | 36 Ų | 36 | 6% | 0.062 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 140.7 | -177.6 | -60 | 173.8 | 0 | 0 | 0 | 109.1 | A14 C201 I203 V209 N247 F249 L250 F264 | A14-I243 WeakPolarHBondContact CB-O 3.38Å; C201-I243 HydrophobicContact CB-CD1 4.38Å; C201-I243 HydrophobicContact CB-CG1 4.5Å; I203-I243 HydrophobicContact CD1-CD1 4.28Å; I203-I243 HydrophobicContact CG1-CD1 3.52Å; V209-I243 HydrophobicContact CG2-CD1 3.91Å; I243-N247 HydrophobicContact CG2-CB 4.29Å; I243-N247 WeakPolarHBondContact CG2-OD1 3.28Å; I243-F249 WeakPolarHBondContact CA-O 3.29Å; I243-L250 HydrophobicContact CG1-CD1 4.01Å; I243-F264 HydrophobicContact CD1-CD1 4.48Å; I243-F264 HydrophobicContact CD1-CE1 3.87Å; I243-F264 HydrophobicContact CD1-CZ 4.44Å; I243-F264 HydrophobicContact CG1-CE1 4.49Å; I243-F264 HydrophobicContact CG2-CD1 4.23Å; I243-F264 HydrophobicContact CG2-CE1 4.47Å |
| 244 | S | 93.6 | Very high | 94 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | trans | -61.1 | 151.7 | 174.3 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | D246 N247 R248 F249 | S244-D246 WeakPolarHBondContact CB-OD1 3.38Å; S244-D246 PolarHBondContact O-N 3.22Å; S244-D246 PolarHBondContact OG-OD1 2.92Å; S244-N247 WeakPolarHBondContact O-CA 3.17Å; S244-N247 PolarHBondContact O-N 3.21Å; S244-R248 PolarHBondContact OG-N 3.24Å; S244-R248 VanDerWaalsContact OG-N 3.17Å; S244-F249 PolarHBondContact N-O 3.26Å; S244-F249 PolarHBondContact OG-N 3.2Å | ||
| 245 | Y | 90.2 | Very high | 94 | Very high | 104 Ų | 104 | 35.3 Ų | 35.3 | 41% | 0.408 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -22.7 | -177.6 | 67.9 | -83.9 | 0 | 0 | 0 | 115.6 | T16 S17 S18 Y19 | T16-Y245 VanDerWaalsContact C-CB 3.49Å; T16-Y245 WeakPolarHBondContact O-CB 3.37Å; S17-Y245 VanDerWaalsContact C-CE1 3.5Å; S18-Y245 VanDerWaalsContact CA-CE1 3.43Å; S18-Y245 VanDerWaalsContact N-CD1 3.32Å; S18-Y245 VanDerWaalsContact N-CE1 3.3Å; Y19-Y245 AromaticContact CD1-CE1 3.81Å; Y19-Y245 HydrophobicContact CD1-CE1 3.81Å; Y19-Y245 AromaticContact CE1-CE1 3.88Å; Y19-Y245 HydrophobicContact CE1-CE1 3.88Å |
| 246 | D | 89.9 | Confident | 94 | Very high | 45 Ų | 45 | 30.5 Ų | 30.5 | 24% | 0.241 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 8.8 | 179.3 | 66.7 | -16.5 | 0 | 0 | 0 | 113.7 | Y19 S244 R248 | Y19-D246 WeakPolarHBondContact CE1-OD2 3.49Å; Y19-D246 PolarHBondContact OH-OD2 2.8Å; S244-D246 WeakPolarHBondContact CB-OD1 3.38Å; S244-D246 PolarHBondContact O-N 3.22Å; S244-D246 PolarHBondContact OG-OD1 2.92Å; D246-R248 HydrophobicContact CB-CG 4.42Å; D246-R248 PolarHBondContact O-N 3Å; D246-R248 PolarHBondContact OD1-N 2.73Å; D246-R248 WeakPolarHBondContact OD2-CD 3.48Å; D246-R248 VanDerWaalsContact OD2-CG 3.3Å; D246-R248 WeakPolarHBondContact OD2-CG 3.41Å; D246-R248 IonicContact OD2-NE 2.95Å |
| 247 | N | 89 | Confident | 94 | Very high | 66 Ų | 66 | 30.7 Ų | 30.7 | 35% | 0.353 | 14% | 0.141 | S | C | . | . | S | Bend | trans | 59 | 21.8 | -178.4 | -65 | -35.7 | 0 | 0 | 0 | 115.3 | I243 S244 | I243-N247 HydrophobicContact CG2-CB 4.29Å; I243-N247 WeakPolarHBondContact CG2-OD1 3.28Å; S244-N247 WeakPolarHBondContact O-CA 3.17Å; S244-N247 PolarHBondContact O-N 3.21Å |
| 248 | R | 90.7 | Very high | 94.1 | Very high | 146 Ų | 146 | 32.5 Ų | 32.5 | 55% | 0.551 | 15% | 0.151 | S | C | * | . | trans | -91.6 | -19.6 | -179.3 | -69.4 | -167.7 | -179.2 | -173.3 | -3.9 | 115.1 | S244 D246 P263 F264 | S244-R248 PolarHBondContact OG-N 3.24Å; S244-R248 VanDerWaalsContact OG-N 3.17Å; D246-R248 HydrophobicContact CB-CG 4.42Å; D246-R248 PolarHBondContact O-N 3Å; D246-R248 PolarHBondContact OD1-N 2.73Å; D246-R248 WeakPolarHBondContact OD2-CD 3.48Å; D246-R248 VanDerWaalsContact OD2-CG 3.3Å; D246-R248 WeakPolarHBondContact OD2-CG 3.41Å; D246-R248 IonicContact OD2-NE 2.95Å; R248-P263 CarbonylContact O-C 3.53Å; R248-P263 WeakPolarHBondContact O-CA 3.23Å; R248-F264 CarbonylContact C-O 3.46Å; R248-F264 VanDerWaalsContact C-O 3.24Å; R248-F264 VanDerWaalsContact CA-O 3.23Å; R248-F264 WeakPolarHBondContact CA-O 3.44Å; R248-F264 PolarHBondContact O-N 2.86Å; R248-F264 VanDerWaalsContact O-O 3.12Å | ||
| 249 | F | 94 | Very high | 94.1 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 1% | 0.013 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 132.1 | -178.4 | -64 | -79.4 | 0 | 0 | 0 | 110.9 | M1 Y19 F35 D37 I243 S244 L251 I261 A262 | M1-F249 HydrophobicContact CE-CD1 4.37Å; M1-F249 HydrophobicContact CE-CE1 3.9Å; Y19-F249 HydrophobicContact CD1-CD2 4.02Å; Y19-F249 HydrophobicContact CD1-CE2 4.07Å; Y19-F249 AromaticContact CE1-CD2 3.78Å; Y19-F249 HydrophobicContact CE1-CD2 3.78Å; Y19-F249 AromaticContact CE1-CE2 3.66Å; Y19-F249 HydrophobicContact CE1-CE2 3.66Å; Y19-F249 AromaticContact CZ-CE2 3.93Å; F35-F249 HydrophobicContact CD2-CD2 4.48Å; F35-F249 HydrophobicContact CE2-CB 4.15Å; F35-F249 AromaticContact CE2-CD2 3.85Å; F35-F249 HydrophobicContact CE2-CD2 3.85Å; F35-F249 HydrophobicContact CE2-CE2 4.47Å; F35-F249 AromaticContact CE2-CG 3.97Å; F35-F249 HydrophobicContact CE2-CG 3.97Å; D37-F249 HydrophobicContact CB-CE2 4.47Å; D37-F249 HydrophobicContact CB-CZ 3.82Å; I243-F249 WeakPolarHBondContact CA-O 3.29Å; S244-F249 PolarHBondContact N-O 3.26Å; S244-F249 PolarHBondContact OG-N 3.2Å; F249-L251 HydrophobicContact CB-CD2 4.39Å; F249-I261 HydrophobicContact CB-CG2 4.26Å; F249-I261 HydrophobicContact CD1-CG2 3.95Å; F249-I261 HydrophobicContact CG-CG2 4.32Å; F249-A262 VanDerWaalsContact CA-O 3.3Å; F249-A262 WeakPolarHBondContact CA-O 3.3Å |
| 250 | L | 95.2 | Very high | 94.3 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 125.3 | 164.8 | 179.1 | 67.1 | 0 | 0 | 0 | 107.6 | V209 V217 V231 I243 I261 A262 F264 | V209-L250 HydrophobicContact CG1-CD1 4.18Å; V217-L250 HydrophobicContact CG1-CD2 3.93Å; V231-L250 HydrophobicContact CB-CD2 4.28Å; V231-L250 HydrophobicContact CG2-CD2 3.72Å; I243-L250 HydrophobicContact CG1-CD1 4.01Å; L250-I261 WeakPolarHBondContact O-CA 3.41Å; L250-A262 PolarHBondContact N-O 3.35Å; L250-A262 PolarHBondContact O-N 3.27Å; L250-F264 HydrophobicContact CB-CB 3.68Å; L250-F264 HydrophobicContact CB-CD2 3.96Å; L250-F264 HydrophobicContact CB-CG 3.84Å; L250-F264 HydrophobicContact CD2-CD2 4.31Å; L250-F264 VanDerWaalsContact N-CB 3.31Å |
| 251 | L | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 134.8 | 174.4 | -48.6 | -177.7 | 0 | 0 | 0 | 107.9 | L12 A14 C21 F35 I241 D242 F249 K260 I261 | L12-L251 HydrophobicContact CD1-CB 4.13Å; L12-L251 HydrophobicContact CD1-CD1 4.36Å; L12-L251 HydrophobicContact CD2-CB 3.43Å; L12-L251 VanDerWaalsContact CD2-CB 3.43Å; L12-L251 HydrophobicContact CD2-CD1 3.94Å; L12-L251 HydrophobicContact CD2-CG 4.34Å; L12-L251 HydrophobicContact CG-CB 4.43Å; A14-L251 HydrophobicContact CB-CD1 3.71Å; C21-L251 HydrophobicContact CB-CD1 3.52Å; F35-L251 HydrophobicContact CE1-CD1 4.25Å; F35-L251 HydrophobicContact CE1-CD2 4.06Å; F35-L251 HydrophobicContact CE2-CD2 4.37Å; F35-L251 HydrophobicContact CZ-CD1 4.33Å; F35-L251 HydrophobicContact CZ-CD2 3.9Å; I241-L251 CarbonylContact C-O 3.55Å; I241-L251 WeakPolarHBondContact CA-O 3.19Å; D242-L251 PolarHBondContact N-O 3.04Å; D242-L251 WeakPolarHBondContact O-CA 3.48Å; D242-L251 WeakPolarHBondContact O-CB 3.18Å; D242-L251 PolarHBondContact O-N 2.7Å; F249-L251 HydrophobicContact CB-CD2 4.39Å; L251-K260 WeakPolarHBondContact CA-O 3.16Å; L251-I261 HydrophobicContact CD2-CB 4.01Å; L251-I261 HydrophobicContact CD2-CD1 4.01Å; L251-I261 HydrophobicContact CD2-CG1 3.66Å; L251-I261 HydrophobicContact CD2-CG2 3.61Å |
| 252 | S | 97.1 | Very high | 94.3 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 149 | 176.7 | 60.7 | 0 | 0 | 0 | 0 | 111.1 | H234 A240 V259 K260 | H234-S252 VanDerWaalsContact NE2-CB 3.34Å; H234-S252 WeakPolarHBondContact NE2-CB 3.38Å; H234-S252 PolarHBondContact NE2-OG 2.61Å; A240-S252 CarbonylContact O-C 3.52Å; A240-S252 WeakPolarHBondContact O-CA 3.16Å; S252-V259 CarbonylContact O-C 3.56Å; S252-V259 WeakPolarHBondContact O-CA 3.35Å; S252-K260 PolarHBondContact N-O 2.79Å; S252-K260 PolarHBondContact O-N 2.98Å |
| 253 | C | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 147.9 | 174.5 | 73.1 | 0 | 0 | 0 | 0 | 112.1 | P9 V238 E239 A240 L258 V259 | P9-C253 HydrophobicContact CB-CB 3.75Å; P9-C253 HydrophobicContact CG-CB 3.57Å; V238-C253 WeakPolarHBondContact CG1-O 3.32Å; E239-C253 PolarHBondContact N-O 2.59Å; A240-C253 PolarHBondContact N-O 3.27Å; A240-C253 PolarHBondContact O-N 2.93Å; C253-L258 VanDerWaalsContact CA-O 3.3Å; C253-L258 WeakPolarHBondContact CA-O 3.31Å; C253-V259 HydrophobicContact CB-CB 4.46Å; C253-V259 HydrophobicContact CB-CG2 3.76Å |
| 254 | G | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | -168 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | P9 G237 D256 E257 L258 | P9-G254 WeakPolarHBondContact CD-O 3.34Å; G237-G254 CarbonylContact O-C 3.56Å; G237-G254 WeakPolarHBondContact O-CA 3.3Å; G254-D256 PolarHBondContact O-N 2.83Å; G254-E257 PolarHBondContact O-N 2.77Å; G254-L258 PolarHBondContact N-O 3.27Å |
| 255 | H | 95.3 | Very high | 93.6 | Very high | 62 Ų | 62 | 39.8 Ų | 39.8 | 29% | 0.287 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -13.1 | -176.8 | -72.5 | -142.1 | 0 | 0 | 0 | 113 | L8 D236 G237 E239 E257 | L8-H255 HydrophobicContact CD1-CB 4.1Å; D236-H255 HydrophobicContact CB-CB 3.78Å; G237-H255 PolarHBondContact O-CD2 2.92Å; G237-H255 PolarHBondContact O-N 2.83Å; E239-H255 VanDerWaalsContact CG-CD2 3.44Å; E239-H255 WeakPolarHBondContact CG-CD2 3.22Å; E239-H255 WeakPolarHBondContact CG-NE2 3.21Å; E239-H255 IonicContact OE1-CD2 3.38Å; E239-H255 IonicContact OE1-CE1 3.52Å; E239-H255 IonicContact OE1-NE2 2.74Å; E239-H255 PolarHBondContact OE1-NE2 3.4Å; H255-E257 PolarHBondContact O-N 2.92Å; H255-E257 VanDerWaalsContact O-N 3.16Å |
| 256 | D | 95.3 | Very high | 93 | Very high | 31 Ų | 31 | 35.6 Ų | 35.6 | 17% | 0.166 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 2.9 | 169 | 63.1 | -5.9 | 0 | 0 | 0 | 113.2 | H234 D235 D236 G254 L258 K260 | H234-D256 WeakPolarHBondContact CB-OD2 3.34Å; H234-D256 IonicContact CE1-OD1 3.83Å; H234-D256 IonicContact CE1-OD2 3.85Å; H234-D256 IonicContact CG-OD1 3.76Å; H234-D256 IonicContact CG-OD2 3.59Å; H234-D256 IonicContact ND1-OD1 3.92Å; H234-D256 PolarHBondContact ND1-OD1 3.22Å; H234-D256 IonicContact ND1-OD2 3.29Å; H234-D256 PolarHBondContact ND1-OD2 2.88Å; D235-D256 HydrophobicContact CB-CB 4.36Å; D236-D256 HydrophobicContact CB-CB 4.42Å; G254-D256 PolarHBondContact O-N 2.83Å; D256-L258 PolarHBondContact O-N 3.17Å; D256-L258 PolarHBondContact OD1-N 2.91Å; D256-K260 IonicContact OD2-NZ 2.76Å |
| 257 | E | 95.4 | Very high | 92.5 | Very high | 90 Ų | 90 | 37 Ų | 37 | 42% | 0.421 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 62.8 | 17.2 | -178.6 | -53.9 | -168.6 | 166.1 | 0 | 0 | 114.3 | G254 H255 | G254-E257 PolarHBondContact O-N 2.77Å; H255-E257 PolarHBondContact O-N 2.92Å; H255-E257 VanDerWaalsContact O-N 3.16Å |
| 258 | L | 95.8 | Very high | 91.9 | Very high | 40 Ų | 40 | 38.9 Ų | 38.9 | 21% | 0.209 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 143.1 | -178.4 | -62.3 | 175.1 | 0 | 0 | 0 | 111.5 | C253 G254 D256 K260 | C253-L258 VanDerWaalsContact CA-O 3.3Å; C253-L258 WeakPolarHBondContact CA-O 3.31Å; G254-L258 PolarHBondContact N-O 3.27Å; D256-L258 PolarHBondContact O-N 3.17Å; D256-L258 PolarHBondContact OD1-N 2.91Å; L258-K260 HydrophobicContact CB-CG 4.41Å |
| 259 | V | 96.4 | Very high | 91 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 116.6 | 158.8 | 176 | 0 | 0 | 0 | 0 | 107.4 | E2 F3 F5 P9 L12 V23 L33 S252 C253 I261 | E2-V259 CarbonylContact C-O 3.57Å; E2-V259 WeakPolarHBondContact CA-O 3.35Å; F3-V259 PolarHBondContact N-O 3.07Å; F3-V259 PolarHBondContact O-N 2.76Å; F5-V259 HydrophobicContact CD2-CG2 4.09Å; F5-V259 HydrophobicContact CE2-CG2 3.87Å; P9-V259 HydrophobicContact CB-CG2 4.16Å; P9-V259 HydrophobicContact CG-CG2 4.25Å; L12-V259 HydrophobicContact CD1-CG1 3.8Å; V23-V259 HydrophobicContact CG1-CG2 3.97Å; V23-V259 HydrophobicContact CG2-CG1 4.39Å; V23-V259 HydrophobicContact CG2-CG2 3.89Å; L33-V259 HydrophobicContact CD1-CB 4.48Å; L33-V259 HydrophobicContact CD1-CG1 4.21Å; S252-V259 CarbonylContact O-C 3.56Å; S252-V259 WeakPolarHBondContact O-CA 3.35Å; C253-V259 HydrophobicContact CB-CB 4.46Å; C253-V259 HydrophobicContact CB-CG2 3.76Å; V259-I261 HydrophobicContact CG1-CG1 4.41Å |
| 260 | K | 96.1 | Very high | 89.4 | Confident | 33 Ų | 33 | 38.8 Ų | 38.8 | 14% | 0.143 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 137.2 | 177.6 | -57.6 | -168.4 | -178.7 | -165.2 | 0 | 109.4 | E2 V233 L251 S252 D256 L258 | E2-K260 HydrophobicContact CG-CG 4.14Å; E2-K260 VanDerWaalsContact OE1-CE 3.23Å; E2-K260 WeakPolarHBondContact OE1-CE 3.14Å; E2-K260 IonicContact OE1-NZ 2.92Å; E2-K260 PolarHBondContact OE1-NZ 2.67Å; V233-K260 PolarHBondContact O-NZ 3.38Å; L251-K260 WeakPolarHBondContact CA-O 3.16Å; S252-K260 PolarHBondContact N-O 2.79Å; S252-K260 PolarHBondContact O-N 2.98Å; D256-K260 IonicContact OD2-NZ 2.76Å; L258-K260 HydrophobicContact CB-CG 4.41Å |
| 261 | I | 95.5 | Very high | 87.3 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 108.4 | 177.2 | -53.8 | -174.9 | 0 | 0 | 0 | 106.1 | M1 F35 V48 F249 L250 L251 V259 | M1-I261 HydrophobicContact CB-CB 4.28Å; M1-I261 HydrophobicContact CE-CB 4.5Å; M1-I261 HydrophobicContact CE-CG2 3.83Å; M1-I261 PolarHBondContact N-O 2.92Å; M1-I261 PolarHBondContact O-N 2.82Å; F35-I261 HydrophobicContact CB-CD1 3.63Å; F35-I261 HydrophobicContact CD1-CD1 3.65Å; F35-I261 HydrophobicContact CD2-CD1 4.38Å; F35-I261 HydrophobicContact CD2-CG2 3.84Å; F35-I261 HydrophobicContact CE1-CD1 4.37Å; F35-I261 HydrophobicContact CE2-CG2 4.2Å; F35-I261 HydrophobicContact CG-CD1 3.65Å; F35-I261 HydrophobicContact CG-CG2 4.16Å; V48-I261 HydrophobicContact CG1-CD1 4.36Å; V48-I261 HydrophobicContact CG2-CD1 3.93Å; F249-I261 HydrophobicContact CB-CG2 4.26Å; F249-I261 HydrophobicContact CD1-CG2 3.95Å; F249-I261 HydrophobicContact CG-CG2 4.32Å; L250-I261 WeakPolarHBondContact O-CA 3.41Å; L251-I261 HydrophobicContact CD2-CB 4.01Å; L251-I261 HydrophobicContact CD2-CD1 4.01Å; L251-I261 HydrophobicContact CD2-CG1 3.66Å; L251-I261 HydrophobicContact CD2-CG2 3.61Å; V259-I261 HydrophobicContact CG1-CG1 4.41Å |
| 262 | A | 92.8 | Very high | 84.6 | Confident | 26 Ų | 26 | 47.4 Ų | 47.4 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 144 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | F249 L250 F264 | F249-A262 VanDerWaalsContact CA-O 3.3Å; F249-A262 WeakPolarHBondContact CA-O 3.3Å; L250-A262 PolarHBondContact N-O 3.35Å; L250-A262 PolarHBondContact O-N 3.27Å; A262-F264 PolarHBondContact O-N 2.87Å |
| 263 | P | 90.6 | Very high | 81.7 | Confident | 91 Ų | 91 | 57.2 Ų | 57.2 | 59% | 0.591 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -51.8 | 134 | 165.4 | -23.5 | 33.8 | 0 | 0 | 0 | 109.9 | R248 | R248-P263 CarbonylContact O-C 3.53Å; R248-P263 WeakPolarHBondContact O-CA 3.23Å |
| 264 | F | 90.8 | Very high | 78.6 | Confident | 11 Ų | 11 | 66.7 Ų | 66.7 | 5% | 0.048 | 36% | 0.358 | C | S | . | . | trans | -137.1 | 126.9 | -177.4 | -178.8 | -109.6 | 0 | 0 | 0 | 107.5 | I203 V209 V231 I243 R248 L250 A262 | I203-F264 HydrophobicContact CD1-CE1 3.97Å; I203-F264 HydrophobicContact CD1-CZ 3.69Å; I203-F264 HydrophobicContact CG1-CE1 4.45Å; V209-F264 HydrophobicContact CG2-CZ 4Å; V231-F264 HydrophobicContact CB-CD2 4.41Å; V231-F264 HydrophobicContact CB-CE2 4.06Å; V231-F264 HydrophobicContact CG1-CE2 4.09Å; V231-F264 HydrophobicContact CG2-CE2 4.14Å; I243-F264 HydrophobicContact CD1-CD1 4.48Å; I243-F264 HydrophobicContact CD1-CE1 3.87Å; I243-F264 HydrophobicContact CD1-CZ 4.44Å; I243-F264 HydrophobicContact CG1-CE1 4.49Å; I243-F264 HydrophobicContact CG2-CD1 4.23Å; I243-F264 HydrophobicContact CG2-CE1 4.47Å; R248-F264 CarbonylContact C-O 3.46Å; R248-F264 VanDerWaalsContact C-O 3.24Å; R248-F264 VanDerWaalsContact CA-O 3.23Å; R248-F264 WeakPolarHBondContact CA-O 3.44Å; R248-F264 PolarHBondContact O-N 2.86Å; R248-F264 VanDerWaalsContact O-O 3.12Å; L250-F264 HydrophobicContact CB-CB 3.68Å; L250-F264 HydrophobicContact CB-CD2 3.96Å; L250-F264 HydrophobicContact CB-CG 3.84Å; L250-F264 HydrophobicContact CD2-CD2 4.31Å; L250-F264 VanDerWaalsContact N-CB 3.31Å; A262-F264 PolarHBondContact O-N 2.87Å | ||
| 265 | D | 86.8 | Confident | 75.6 | Confident | 75 Ų | 75 | 75.4 Ų | 75.4 | 40% | 0.401 | 40% | 0.398 | S | S | . | . | trans | -134.2 | 104.2 | 170.6 | -176.5 | -3.6 | 0 | 0 | 0 | 108.4 | S267 V268 Y269 | D265-S267 PolarHBondContact O-N 2.76Å; D265-S267 WeakPolarHBondContact OD1-CA 3.46Å; D265-S267 WeakPolarHBondContact OD1-CB 2.99Å; D265-S267 PolarHBondContact OD1-N 3.16Å; D265-S267 PolarHBondContact OD1-OG 2.87Å; D265-S267 PolarHBondContact OD2-OG 2.75Å; D265-V268 HydrophobicContact CB-CG2 3.82Å; D265-V268 PolarHBondContact O-N 3.03Å; D265-Y269 WeakPolarHBondContact O-CD2 3.35Å; D265-Y269 VanDerWaalsContact O-CE2 3.3Å; D265-Y269 WeakPolarHBondContact O-CE2 3.32Å | ||
| 266 | S | 78.1 | Confident | 72.5 | Confident | 17 Ų | 17 | 80.8 Ų | 80.8 | 12% | 0.119 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -22.9 | 177.6 | 70.7 | 0 | 0 | 0 | 0 | 112.8 | R207 Y269 | R207-S266 PolarHBondContact NH1-O 3.23Å; S266-Y269 PolarHBondContact O-N 2.83Å |
| 267 | S | 79.2 | Confident | 69.3 | Low | 73 Ų | 73 | 90.7 Ų | 90.7 | 51% | 0.51 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -31.3 | -177.1 | 81.7 | 0 | 0 | 0 | 0 | 112.6 | D265 Y269 S270 | D265-S267 PolarHBondContact O-N 2.76Å; D265-S267 WeakPolarHBondContact OD1-CA 3.46Å; D265-S267 WeakPolarHBondContact OD1-CB 2.99Å; D265-S267 PolarHBondContact OD1-N 3.16Å; D265-S267 PolarHBondContact OD1-OG 2.87Å; D265-S267 PolarHBondContact OD2-OG 2.75Å; S267-Y269 PolarHBondContact O-N 2.89Å; S267-S270 VanDerWaalsContact O-CB 3.29Å; S267-S270 WeakPolarHBondContact O-CB 3.32Å; S267-S270 PolarHBondContact O-N 2.82Å |
| 268 | V | 77.7 | Confident | 66.3 | Low | 106 Ų | 106 | 95.7 Ų | 95.7 | 64% | 0.642 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.6 | 174.5 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | D265 S270 | D265-V268 HydrophobicContact CB-CG2 3.82Å; D265-V268 PolarHBondContact O-N 3.03Å; V268-S270 VanDerWaalsContact C-N 3.3Å; V268-S270 PolarHBondContact O-N 2.88Å |
| 269 | Y | 70 | Confident | 63 | Low | 78 Ų | 78 | 105.3 Ų | 105.3 | 31% | 0.306 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 17.7 | -179.6 | -53.9 | -74.7 | 0 | 0 | 0 | 113.7 | L219 A229 V231 D265 S266 S267 T271 | L219-Y269 HydrophobicContact CD2-CD1 4.37Å; L219-Y269 HydrophobicContact CD2-CD2 3.55Å; L219-Y269 HydrophobicContact CD2-CE2 4.42Å; L219-Y269 HydrophobicContact CD2-CG 3.52Å; A229-Y269 HydrophobicContact CB-CD1 3.85Å; A229-Y269 HydrophobicContact CB-CE1 3.83Å; V231-Y269 HydrophobicContact CG1-CE1 4.44Å; V231-Y269 HydrophobicContact CG1-CE2 4.03Å; D265-Y269 WeakPolarHBondContact O-CD2 3.35Å; D265-Y269 VanDerWaalsContact O-CE2 3.3Å; D265-Y269 WeakPolarHBondContact O-CE2 3.32Å; S266-Y269 PolarHBondContact O-N 2.83Å; S267-Y269 PolarHBondContact O-N 2.89Å; Y269-T271 PolarHBondContact O-N 2.91Å |
| 270 | S | 61.8 | Low | 60 | Low | 69 Ų | 69 | 108.8 Ų | 108.8 | 48% | 0.483 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -60 | 126.3 | 175.2 | -166.7 | 0 | 0 | 0 | 0 | 110.6 | S267 V268 P272 | S267-S270 VanDerWaalsContact O-CB 3.29Å; S267-S270 WeakPolarHBondContact O-CB 3.32Å; S267-S270 PolarHBondContact O-N 2.82Å; V268-S270 VanDerWaalsContact C-N 3.3Å; V268-S270 PolarHBondContact O-N 2.88Å; S270-P272 WeakPolarHBondContact O-CD 3.44Å |
| 271 | T | 51.2 | Low | 57.2 | Low | 67 Ų | 67 | 115 Ų | 115 | 41% | 0.411 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 122.1 | 173.8 | 42.4 | 0 | 0 | 0 | 0 | 109.5 | Y269 K273 | Y269-T271 PolarHBondContact O-N 2.91Å; T271-K273 PolarHBondContact O-N 3.17Å; T271-K273 VanDerWaalsContact O-N 3.16Å |
| 272 | P | 39.5 | Very low | 54 | Low | 119 Ų | 119 | 120.6 Ų | 120.6 | 77% | 0.773 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 126 | 174.5 | 19.4 | -29.1 | 0 | 0 | 0 | 109 | S270 K274 | S270-P272 WeakPolarHBondContact O-CD 3.44Å; P272-K274 PolarHBondContact O-N 2.69Å |
| 273 | K | 36.2 | Very low | 51.2 | Low | 211 Ų | 211 | 124.9 Ų | 124.9 | 92% | 0.917 | 65% | 0.652 | S | S | * | * | trans | -56.5 | 111.5 | 174.1 | -72.1 | -177.9 | 179.7 | 175.1 | 0 | 107.4 | T271 H275 | T271-K273 PolarHBondContact O-N 3.17Å; T271-K273 VanDerWaalsContact O-N 3.16Å; K273-H275 PolarHBondContact O-N 3.28Å | ||
| 274 | K | 31.4 | Very low | 48.5 | Very low | 199 Ų | 199 | 128.9 Ų | 128.9 | 87% | 0.865 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 9.1 | 96.7 | 170.4 | -69 | 179.9 | 177.5 | 177.6 | 0 | 113.8 | P272 | P272-K274 PolarHBondContact O-N 2.69Š|
| 275 | H | 30.9 | Very low | 45.7 | Very low | 183 Ų | 183 | 132.5 Ų | 132.5 | 85% | 0.847 | 68% | 0.683 | S | S | * | * | trans | 171.6 | 79 | 142.9 | -96.9 | 73.3 | 0 | 0 | 0 | 108.5 | K273 | K273-H275 PolarHBondContact O-N 3.28Š| ||
| 276 | L | 30.7 | Very low | 43.2 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 92% | 0.921 | 70% | 0.697 | S | S | * | * | trans | -151.4 | 114.3 | 146.6 | -143.3 | 65.1 | 0 | 0 | 0 | 109.4 | ||||
| 277 | R | 29.3 | Very low | 41.4 | Very low | 239 Ų | 239 | 141.7 Ų | 141.7 | 90% | 0.902 | 72% | 0.723 | S | S | * | * | trans | -67.7 | 130.8 | 177.3 | -78.2 | 173.1 | 150.6 | 179.6 | -7.1 | 109.1 | ||||
| 278 | Q | 31.5 | Very low | 39.5 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 91% | 0.907 | 72% | 0.723 | S | S | * | * | trans | 35.2 | 98 | 150.8 | -61.3 | -177.6 | 12.9 | 0 | 0 | 116.5 | ||||
| 279 | R | 27.4 | Very low | 37.7 | Very low | 242 Ų | 242 | 145 Ų | 145 | 91% | 0.913 | 72% | 0.722 | S | S | * | * | trans | -128.7 | 123.3 | 145.3 | -144.4 | 176 | -176.6 | -179.1 | -0.6 | 107.2 | ||||
| 280 | G | 32.9 | Very low | 36.2 | Very low | 74 Ų | 74 | 148.7 Ų | 148.7 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | trans | -59.5 | 132.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T282 | G280-T282 PolarHBondContact O-N 2.95Š| ||
| 281 | D | 36 | Very low | 34.7 | Very low | 162 Ų | 162 | 152.9 Ų | 152.9 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | trans | -67.9 | 110.8 | 175.3 | -64.1 | -42.8 | 0 | 0 | 0 | 109.8 | ||||
| 282 | T | 28.8 | Very low | 33.7 | Very low | 120 Ų | 120 | 156.2 Ų | 156.2 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -102 | 120.6 | 154.7 | 47.9 | 0 | 0 | 0 | 0 | 108.2 | G280 F284 | G280-T282 PolarHBondContact O-N 2.95Å; T282-F284 PolarHBondContact O-N 3.11Å |
| 283 | P | 34.6 | Very low | 33.5 | Very low | 117 Ų | 117 | 154.4 Ų | 154.4 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 124.1 | 179.1 | 25.6 | -30.9 | 0 | 0 | 0 | 110.5 | T285 | P283-T285 PolarHBondContact O-N 3.21Š|
| 284 | F | 34.8 | Very low | 34.1 | Very low | 174 Ų | 174 | 150.9 Ų | 150.9 | 76% | 0.763 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 132 | 174.6 | -70.1 | -90.6 | 0 | 0 | 0 | 110.8 | T282 E288 | T282-F284 PolarHBondContact O-N 3.11Å; F284-E288 WeakPolarHBondContact CD1-OE2 3.46Å |
| 285 | T | 30.4 | Very low | 34.2 | Very low | 88 Ų | 88 | 147.5 Ų | 147.5 | 54% | 0.54 | 73% | 0.729 | S | S | . | * | P | Polyproline II helix | trans | -94.3 | 156.7 | 178.5 | 50.6 | 0 | 0 | 0 | 0 | 111.3 | P283 D287 E288 | P283-T285 PolarHBondContact O-N 3.21Å; T285-D287 PolarHBondContact O-N 3.37Å; T285-E288 PolarHBondContact O-N 3.46Å; T285-E288 VanDerWaalsContact O-N 3.16Å |
| 286 | K | 35.8 | Very low | 34.3 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 70% | 0.7 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -53.1 | -24.9 | -176.8 | -164.4 | 172.4 | -179.4 | 172.8 | 0 | 113.6 | ||
| 287 | D | 38.6 | Very low | 34.5 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 66% | 0.658 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -79.8 | -18.4 | -175.5 | -62.3 | -26.4 | 0 | 0 | 0 | 114 | T285 F289 | T285-D287 PolarHBondContact O-N 3.37Å; D287-F289 VanDerWaalsContact C-N 3.27Å; D287-F289 PolarHBondContact O-N 3.26Å |
| 288 | E | 39.2 | Very low | 34.8 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 51% | 0.509 | 69% | 0.69 | S | S | . | * | G | 310 helix | trans | -77.5 | -12.4 | 178.8 | -77.1 | -179.5 | 144.8 | 0 | 0 | 113.5 | F284 T285 | F284-E288 WeakPolarHBondContact CD1-OE2 3.46Å; T285-E288 PolarHBondContact O-N 3.46Å; T285-E288 VanDerWaalsContact O-N 3.16Å |
| 289 | F | 40 | Very low | 34.8 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 61% | 0.614 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -93.3 | -19.2 | 178.9 | -103.8 | -90.5 | 0 | 0 | 0 | 114.6 | D287 N291 | D287-F289 VanDerWaalsContact C-N 3.27Å; D287-F289 PolarHBondContact O-N 3.26Å; F289-N291 PolarHBondContact O-N 3.15Å |
| 290 | Q | 38.8 | Very low | 35 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 72% | 0.724 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -15.3 | -176.3 | -76.7 | -168 | -14.7 | 0 | 0 | 114.3 | ||
| 291 | N | 31.4 | Very low | 35.2 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 85% | 0.845 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | 16.8 | -174.8 | -82.2 | -32.3 | 0 | 0 | 0 | 115.3 | F289 | F289-N291 PolarHBondContact O-N 3.15Š|
| 292 | R | 30 | Very low | 34.9 | Very low | 136 Ų | 136 | 131.6 Ų | 131.6 | 51% | 0.513 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -119.2 | 115.8 | 173.5 | -75.2 | 180 | 167 | -151 | -13.8 | 109.5 | F294 E297 | R292-F294 PolarHBondContact O-N 3.12Å; R292-E297 IonicContact CZ-OE1 3.97Å; R292-E297 VanDerWaalsContact CZ-OE1 3.29Å; R292-E297 IonicContact CZ-OE2 3.16Å; R292-E297 IonicContact NH1-OE1 3.46Å; R292-E297 PolarHBondContact NH1-OE1 3.11Å; R292-E297 VanDerWaalsContact NH1-OE1 3.16Å; R292-E297 IonicContact NH1-OE2 3.66Å; R292-E297 PolarHBondContact NH1-OE2 3.22Å; R292-E297 IonicContact NH2-OE1 3.4Å; R292-E297 PolarHBondContact NH2-OE1 3.17Å; R292-E297 IonicContact NH2-OE2 3.65Å |
| 293 | A | 35.6 | Very low | 35.1 | Very low | 81 Ų | 81 | 133.8 Ų | 133.8 | 67% | 0.669 | 69% | 0.688 | S | S | * | * | trans | -51.8 | 128.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | F295 S296 | A293-F295 PolarHBondContact O-N 2.87Å; A293-S296 PolarHBondContact O-N 3.38Å; A293-S296 VanDerWaalsContact O-N 3.17Å | ||
| 294 | F | 47.4 | Very low | 35 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 60% | 0.601 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.8 | -12.3 | -160.5 | -171.3 | -117.1 | 0 | 0 | 0 | 116.4 | R292 | R292-F294 PolarHBondContact O-N 3.12Š|
| 295 | F | 33.9 | Very low | 35 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 56% | 0.561 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.5 | 38.7 | 178.3 | -66.9 | -64.2 | 0 | 0 | 0 | 116.7 | A293 E297 L298 | A293-F295 PolarHBondContact O-N 2.87Å; F295-E297 VanDerWaalsContact C-N 3.29Å; F295-E297 PolarHBondContact O-N 3.18Å; F295-L298 HydrophobicContact CB-CD1 4.39Å; F295-L298 HydrophobicContact CD1-CD1 3.54Å; F295-L298 HydrophobicContact CE1-CD1 4.15Å; F295-L298 HydrophobicContact CG-CD1 4.26Å |
| 296 | S | 34.3 | Very low | 35.3 | Very low | 84 Ų | 84 | 140.7 Ų | 140.7 | 59% | 0.587 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 5.6 | 179.8 | 77.9 | 0 | 0 | 0 | 0 | 116.7 | A293 | A293-S296 PolarHBondContact O-N 3.38Å; A293-S296 VanDerWaalsContact O-N 3.17Å |
| 297 | E | 33.1 | Very low | 35.2 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 58% | 0.579 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.8 | 18.3 | 179.8 | -82.3 | 179.1 | 176.7 | 0 | 0 | 113.9 | R292 F295 | R292-E297 IonicContact CZ-OE1 3.97Å; R292-E297 VanDerWaalsContact CZ-OE1 3.29Å; R292-E297 IonicContact CZ-OE2 3.16Å; R292-E297 IonicContact NH1-OE1 3.46Å; R292-E297 PolarHBondContact NH1-OE1 3.11Å; R292-E297 VanDerWaalsContact NH1-OE1 3.16Å; R292-E297 IonicContact NH1-OE2 3.66Å; R292-E297 PolarHBondContact NH1-OE2 3.22Å; R292-E297 IonicContact NH2-OE1 3.4Å; R292-E297 PolarHBondContact NH2-OE1 3.17Å; R292-E297 IonicContact NH2-OE2 3.65Å; F295-E297 VanDerWaalsContact C-N 3.29Å; F295-E297 PolarHBondContact O-N 3.18Å |
| 298 | L | 35.6 | Very low | 35 | Very low | 130 Ų | 130 | 140.5 Ų | 140.5 | 68% | 0.681 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -83.8 | -6.9 | 172.4 | -91.6 | 158.1 | 0 | 0 | 0 | 114.6 | F295 | F295-L298 HydrophobicContact CB-CD1 4.39Å; F295-L298 HydrophobicContact CD1-CD1 3.54Å; F295-L298 HydrophobicContact CE1-CD1 4.15Å; F295-L298 HydrophobicContact CG-CD1 4.26Å |
| 299 | D | 32.6 | Very low | 34.8 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 86% | 0.861 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -108.6 | 51 | 178.8 | -72.7 | -19.8 | 0 | 0 | 0 | 112.5 | ||
| 300 | T | 30.3 | Very low | 34.4 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 69% | 0.693 | 75% | 0.748 | S | S | * | * | trans | -152.1 | 85.3 | 160.6 | 53.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 301 | V | 38.3 | Very low | 34.1 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | trans | -133.4 | 97 | 143.3 | -176.2 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 302 | E | 30 | Very low | 34.3 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | trans | -66.5 | 135.6 | 169.1 | -72.3 | 178.5 | 146.3 | 0 | 0 | 108.9 | D304 | E302-D304 PolarHBondContact O-N 3.36Š| ||
| 303 | D | 32.2 | Very low | 34.7 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | trans | -63.4 | 121.8 | 171.1 | -68.2 | -50.1 | 0 | 0 | 0 | 110.2 | ||||
| 304 | D | 33.2 | Very low | 34.6 | Very low | 243 Ų | 243 | 146.4 Ų | 146.4 | 100% | 1.299 | 77% | 0.769 | S | S | * | * | trans | -122.6 | 0 | 155 | -91.3 | -20 | 0 | 0 | 0 | 109.1 | E302 | E302-D304 PolarHBondContact O-N 3.36Š|
Retrieved 304 of 304 residues in 401.7 ms
(Link to these results)