| 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 | 92 | Very high | 92.5 | Very high | 76 Ų | 76 | 77.6 Ų | 77.6 | 37% | 0.374 | 42% | 0.417 | S | S | . | . | 0 | -55.5 | 0 | -170 | 172.3 | -175.6 | 0 | 0 | 110 | K25 P62 S68 L69 | M1-K25 HydrophobicContact CE-CB 3.93Å; M1-K25 HydrophobicContact CE-CD 3.95Å; M1-K25 HydrophobicContact CE-CG 3.76Å; M1-P62 HydrophobicContact SD-CB 3.98Å; M1-S68 WeakPolarHBondContact CA-O 3.45Å; M1-S68 WeakPolarHBondContact CB-O 3.36Å; M1-S68 PolarHBondContact N-O 2.63Å; M1-L69 CarbonylContact C-O 3.57Å; M1-L69 WeakPolarHBondContact CA-O 3.5Å; M1-L69 PolarHBondContact N-O 3.35Å; M1-L69 HydrophobicContact SD-CD2 4.29Å | |||
| 2 | F | 95.2 | Very high | 92.7 | Very high | 9 Ų | 9 | 73.6 Ų | 73.6 | 4% | 0.039 | 39% | 0.393 | C | S | . | . | trans | -104.4 | 5 | -178.3 | -53.1 | -54.4 | 0 | 0 | 0 | 114.7 | N4 N5 Q7 F12 L14 K25 M61 L69 L71 | F2-N4 PolarHBondContact O-N 2.86Å; F2-N4 VanDerWaalsContact O-N 3.07Å; F2-N5 WeakPolarHBondContact CA-OD1 3.36Å; F2-N5 HydrophobicContact CB-CB 4.41Å; F2-N5 WeakPolarHBondContact O-CB 3.38Å; F2-N5 PolarHBondContact O-N 2.53Å; F2-Q7 PolarHBondContact O-NE2 3.13Å; F2-F12 HydrophobicContact CB-CE1 4.09Å; F2-F12 HydrophobicContact CB-CZ 3.81Å; F2-F12 HydrophobicContact CD1-CE1 4.13Å; F2-F12 AromaticContact CD1-CZ 3.92Å; F2-F12 HydrophobicContact CD1-CZ 3.92Å; F2-F12 AromaticContact CD2-CE1 3.92Å; F2-F12 HydrophobicContact CD2-CE1 3.92Å; F2-F12 HydrophobicContact CD2-CZ 4.4Å; F2-F12 HydrophobicContact CE2-CE1 4.37Å; F2-F12 AromaticContact CG-CE1 3.77Å; F2-F12 HydrophobicContact CG-CE1 3.77Å; F2-F12 AromaticContact CG-CZ 3.79Å; F2-F12 HydrophobicContact CG-CZ 3.79Å; F2-L14 HydrophobicContact CD2-CD2 4.04Å; F2-L14 HydrophobicContact CE2-CD2 3.7Å; F2-K25 HydrophobicContact CE1-CD 4.45Å; F2-K25 HydrophobicContact CZ-CD 4.12Å; F2-M61 HydrophobicContact CE2-CE 4.13Å; F2-M61 HydrophobicContact CZ-SD 4.45Å; F2-L69 HydrophobicContact CD2-CB 4.43Å; F2-L69 HydrophobicContact CD2-CD2 4.32Å; F2-L69 HydrophobicContact CE2-CD2 3.96Å; F2-L69 PolarHBondContact N-O 3.33Å; F2-L71 HydrophobicContact CB-CD2 3.9Å; F2-L71 HydrophobicContact CD2-CD1 4.35Å; F2-L71 HydrophobicContact CD2-CD2 3.84Å; F2-L71 HydrophobicContact CD2-CG 4.15Å; F2-L71 HydrophobicContact CG-CD2 4.25Å | ||
| 3 | K | 91.8 | Very high | 92.9 | Very high | 169 Ų | 169 | 72.9 Ų | 72.9 | 74% | 0.735 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -32.9 | 178.6 | -174.1 | 179.9 | 179.2 | -177.4 | 0 | 113.7 | ||
| 4 | N | 92.7 | Very high | 93.1 | Very high | 158 Ų | 158 | 68.6 Ų | 68.6 | 85% | 0.845 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 2.6 | -178 | -58.2 | 19.6 | 0 | 0 | 0 | 112.7 | F2 | F2-N4 PolarHBondContact O-N 2.86Å; F2-N4 VanDerWaalsContact O-N 3.07Å |
| 5 | N | 94.8 | Very high | 93.4 | Very high | 85 Ų | 85 | 64.3 Ų | 64.3 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -86.9 | 150.2 | 173.7 | -68.5 | 84.3 | 0 | 0 | 0 | 110 | F2 Q7 F12 | F2-N5 WeakPolarHBondContact CA-OD1 3.36Å; F2-N5 HydrophobicContact CB-CB 4.41Å; F2-N5 WeakPolarHBondContact O-CB 3.38Å; F2-N5 PolarHBondContact O-N 2.53Å; N5-Q7 PolarHBondContact O-N 2.88Å; N5-F12 HydrophobicContact CB-CE2 3.87Å; N5-F12 HydrophobicContact CB-CZ 4.02Å |
| 6 | Y | 94 | Very high | 93.5 | Very high | 188 Ų | 188 | 61.9 Ų | 61.9 | 74% | 0.737 | 33% | 0.333 | S | S | * | . | trans | -64.8 | 121.2 | 173.1 | -179.8 | -100.5 | 0 | 0 | 0 | 111.3 | G9 F12 | Y6-G9 VanDerWaalsContact CE1-N 3.26Å; Y6-F12 WeakPolarHBondContact O-CD2 3.43Å | ||
| 7 | Q | 93.9 | Very high | 93.4 | Very high | 16 Ų | 16 | 58.2 Ų | 58.2 | 8% | 0.075 | 31% | 0.313 | C | S | . | . | trans | -119.1 | 12.2 | 178.3 | -62.4 | -178.8 | 45.7 | 0 | 0 | 112.6 | F2 N5 F12 G70 L71 I72 Q73 | F2-Q7 PolarHBondContact O-NE2 3.13Å; N5-Q7 PolarHBondContact O-N 2.88Å; Q7-F12 HydrophobicContact CB-CD2 4.49Å; Q7-F12 HydrophobicContact CG-CD2 3.78Å; Q7-F12 HydrophobicContact CG-CE2 3.92Å; Q7-F12 HydrophobicContact CG-CG 4.44Å; Q7-G70 PolarHBondContact NE2-O 2.92Å; Q7-L71 VanDerWaalsContact OE1-CA 3.22Å; Q7-I72 HydrophobicContact CB-CD1 4.49Å; Q7-I72 HydrophobicContact CB-CG1 4.16Å; Q7-Q73 PolarHBondContact O-NE2 3.31Å | ||
| 8 | G | 89.8 | Confident | 93.2 | Very high | 35 Ų | 35 | 60.2 Ų | 60.2 | 36% | 0.361 | 32% | 0.32 | S | S | . | . | trans | -77 | -17.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 9 | G | 90.1 | Very high | 92.9 | Very high | 28 Ų | 28 | 59.7 Ų | 59.7 | 29% | 0.289 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -71.9 | 165.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y6 V11 Q73 | Y6-G9 VanDerWaalsContact CE1-N 3.26Å; G9-V11 PolarHBondContact O-N 3.22Å; G9-Q73 PolarHBondContact O-NE2 2.91Å |
| 10 | A | 89.3 | Confident | 92.7 | Very high | 60 Ų | 60 | 67.5 Ų | 67.5 | 50% | 0.496 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -58.3 | -33.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | M170 K171 | A10-M170 WeakPolarHBondContact O-CA 3.41Å; A10-K171 PolarHBondContact O-N 3.47Å; A10-K171 VanDerWaalsContact O-N 3.11Å |
| 11 | V | 93.8 | Very high | 92.5 | Very high | 30 Ų | 30 | 68.9 Ų | 68.9 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 144.9 | -179.1 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | G9 F168 T169 M170 P192 F195 | G9-V11 PolarHBondContact O-N 3.22Å; V11-F168 HydrophobicContact CG1-CB 3.83Å; V11-F168 HydrophobicContact CG1-CD2 3.62Å; V11-F168 HydrophobicContact CG1-CG 4.03Å; V11-F168 HydrophobicContact CG2-CD2 4.21Å; V11-F168 HydrophobicContact CG2-CE2 4.43Å; V11-T169 VanDerWaalsContact CA-O 3.31Å; V11-T169 WeakPolarHBondContact CA-O 3.11Å; V11-M170 HydrophobicContact CG2-CG 3.66Å; V11-M170 HydrophobicContact CG2-SD 4.37Å; V11-P192 VanDerWaalsContact CG2-CD 3.5Å; V11-P192 HydrophobicContact CG2-CG 3.62Å; V11-F195 HydrophobicContact CB-CE2 4.38Å; V11-F195 HydrophobicContact CB-CZ 4.25Å; V11-F195 HydrophobicContact CG1-CD1 4.1Å; V11-F195 HydrophobicContact CG1-CE1 3.5Å; V11-F195 HydrophobicContact CG1-CE2 4.06Å; V11-F195 HydrophobicContact CG1-CZ 3.49Å; V11-F195 VanDerWaalsContact CG1-CZ 3.49Å; V11-F195 HydrophobicContact CG2-CE2 4.48Å |
| 12 | F | 95.7 | Very high | 92.5 | Very high | 29 Ų | 29 | 66.3 Ų | 66.3 | 13% | 0.127 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 111.7 | 162.3 | -167.8 | -86.6 | 0 | 0 | 0 | 109.8 | F2 N5 Y6 Q7 L14 L71 F168 T169 | F2-F12 HydrophobicContact CB-CE1 4.09Å; F2-F12 HydrophobicContact CB-CZ 3.81Å; F2-F12 HydrophobicContact CD1-CE1 4.13Å; F2-F12 AromaticContact CD1-CZ 3.92Å; F2-F12 HydrophobicContact CD1-CZ 3.92Å; F2-F12 AromaticContact CD2-CE1 3.92Å; F2-F12 HydrophobicContact CD2-CE1 3.92Å; F2-F12 HydrophobicContact CD2-CZ 4.4Å; F2-F12 HydrophobicContact CE2-CE1 4.37Å; F2-F12 AromaticContact CG-CE1 3.77Å; F2-F12 HydrophobicContact CG-CE1 3.77Å; F2-F12 AromaticContact CG-CZ 3.79Å; F2-F12 HydrophobicContact CG-CZ 3.79Å; N5-F12 HydrophobicContact CB-CE2 3.87Å; N5-F12 HydrophobicContact CB-CZ 4.02Å; Y6-F12 WeakPolarHBondContact O-CD2 3.43Å; Q7-F12 HydrophobicContact CB-CD2 4.49Å; Q7-F12 HydrophobicContact CG-CD2 3.78Å; Q7-F12 HydrophobicContact CG-CE2 3.92Å; Q7-F12 HydrophobicContact CG-CG 4.44Å; F12-L14 HydrophobicContact CD1-CD2 3.62Å; F12-L14 HydrophobicContact CD1-CG 4.21Å; F12-L14 HydrophobicContact CE1-CD2 3.7Å; F12-L71 HydrophobicContact CD1-CD2 3.58Å; F12-L71 HydrophobicContact CE1-CD2 3.66Å; F12-L71 HydrophobicContact CG-CD2 4.22Å; F12-L71 HydrophobicContact CZ-CD2 4.35Å; F12-F168 VanDerWaalsContact O-CA 3.32Å; F12-F168 WeakPolarHBondContact O-CA 3.2Å; F12-F168 WeakPolarHBondContact O-CB 3.2Å; F12-T169 PolarHBondContact N-O 2.96Å; F12-T169 PolarHBondContact O-N 2.98Å |
| 13 | D | 95.1 | Very high | 92.4 | Very high | 65 Ų | 65 | 66.9 Ų | 66.9 | 35% | 0.348 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 126.2 | -175.3 | -157.5 | -9.1 | 0 | 0 | 0 | 111.4 | R166 F195 | D13-R166 IonicContact OD1-NE 3.09Å; D13-R166 IonicContact OD2-CZ 3.11Å; D13-R166 VanDerWaalsContact OD2-CZ 3.3Å; D13-R166 IonicContact OD2-NE 2.7Å; D13-R166 PolarHBondContact OD2-NE 3.28Å; D13-R166 VanDerWaalsContact OD2-NE 3.09Å; D13-R166 IonicContact OD2-NH2 3.3Å; D13-R166 PolarHBondContact OD2-NH2 3.27Å; D13-F195 HydrophobicContact CB-CE1 4.09Å; D13-F195 HydrophobicContact CB-CZ 4.18Å |
| 14 | L | 95.8 | Very high | 92.4 | Very high | 12 Ų | 12 | 61.5 Ų | 61.5 | 6% | 0.063 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | -33.7 | -171.8 | -66.5 | 171.5 | 0 | 0 | 0 | 112.6 | F2 F12 M61 L71 L76 I156 I167 T169 | F2-L14 HydrophobicContact CD2-CD2 4.04Å; F2-L14 HydrophobicContact CE2-CD2 3.7Å; F12-L14 HydrophobicContact CD1-CD2 3.62Å; F12-L14 HydrophobicContact CD1-CG 4.21Å; F12-L14 HydrophobicContact CE1-CD2 3.7Å; L14-M61 HydrophobicContact CB-CE 3.93Å; L14-M61 HydrophobicContact CD2-CE 4.01Å; L14-M61 HydrophobicContact CG-CE 4.47Å; L14-L71 HydrophobicContact CD1-CD1 3.8Å; L14-L71 HydrophobicContact CD2-CD1 3.69Å; L14-L71 HydrophobicContact CD2-CD2 4.1Å; L14-L71 HydrophobicContact CG-CD1 4.38Å; L14-L76 HydrophobicContact CD1-CD1 4.2Å; L14-I156 HydrophobicContact CD1-CD1 3.8Å; L14-I167 WeakPolarHBondContact CA-O 3.25Å; L14-I167 HydrophobicContact CB-CG2 4.43Å; L14-I167 WeakPolarHBondContact CB-O 3.43Å; L14-I167 HydrophobicContact CD1-CG2 4.32Å; L14-I167 PolarHBondContact N-O 2.83Å; L14-T169 HydrophobicContact CD1-CG2 4.06Å |
| 15 | F | 96.9 | Very high | 92.4 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 2% | 0.022 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 137.6 | 178.4 | 168.3 | -91.4 | 0 | 0 | 0 | 109.7 | P22 V23 W26 Y48 M59 V164 R166 I167 | F15-P22 HydrophobicContact CD2-CB 4.17Å; F15-P22 HydrophobicContact CE2-CB 3.93Å; F15-P22 HydrophobicContact CE2-CG 4.23Å; F15-V23 HydrophobicContact CE2-CG1 4.13Å; F15-W26 HydrophobicContact CB-CZ2 3.85Å; F15-W26 AromaticContact CD2-NE1 3.88Å; F15-W26 HydrophobicContact CG-CZ2 4.46Å; F15-Y48 HydrophobicContact CE2-CD2 4.03Å; F15-Y48 HydrophobicContact CE2-CE2 4.44Å; F15-Y48 HydrophobicContact CE2-CG 4.29Å; F15-Y48 AromaticContact CZ-CD2 3.63Å; F15-Y48 HydrophobicContact CZ-CD2 3.63Å; F15-Y48 HydrophobicContact CZ-CE2 4.42Å; F15-Y48 AromaticContact CZ-CG 3.9Å; F15-Y48 HydrophobicContact CZ-CG 3.9Å; F15-M59 HydrophobicContact CD1-CE 4.49Å; F15-M59 HydrophobicContact CD2-CE 4.25Å; F15-M59 HydrophobicContact CE2-CE 4.38Å; F15-M59 HydrophobicContact CG-CE 4.31Å; F15-V164 HydrophobicContact CD1-CG1 4.1Å; F15-V164 HydrophobicContact CE1-CB 4.29Å; F15-V164 HydrophobicContact CE1-CG1 3.82Å; F15-R166 CarbonylContact O-C 3.6Å; F15-R166 VanDerWaalsContact O-CA 3.24Å; F15-R166 WeakPolarHBondContact O-CA 3.47Å; F15-R166 WeakPolarHBondContact O-CG 3.31Å; F15-I167 HydrophobicContact CB-CB 4.11Å; F15-I167 HydrophobicContact CB-CD1 4.23Å; F15-I167 HydrophobicContact CB-CG1 4.28Å; F15-I167 HydrophobicContact CD1-CD1 4.32Å; F15-I167 HydrophobicContact CD1-CG1 4.17Å; F15-I167 HydrophobicContact CG-CD1 4.48Å; F15-I167 PolarHBondContact N-O 2.84Å; F15-I167 PolarHBondContact O-N 3.04Å |
| 16 | S | 94.7 | Very high | 92.5 | Very high | 25 Ų | 25 | 55 Ų | 55 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 144 | 162.7 | -176.3 | 0 | 0 | 0 | 0 | 108 | Q18 P22 | S16-Q18 PolarHBondContact O-N 3.47Å; S16-Q18 VanDerWaalsContact O-N 3.13Å; S16-Q18 PolarHBondContact OG-N 2.85Å; S16-P22 WeakPolarHBondContact O-CB 3.29Å |
| 17 | G | 91.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -63.1 | -15 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K37 F46 R165 | G17-K37 WeakPolarHBondContact O-CE 3.43Å; G17-K37 PolarHBondContact O-NZ 3.03Å; G17-F46 WeakPolarHBondContact CA-O 3.22Å; G17-F46 WeakPolarHBondContact O-CB 3.49Å; G17-R165 PolarHBondContact N-O 2.87Å |
| 18 | Q | 89.6 | Confident | 92.7 | Very high | 93 Ų | 93 | 52.8 Ų | 52.8 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | trans | -76.8 | 163 | 176.4 | -59.7 | -66.6 | -1.4 | 0 | 0 | 113 | S16 | S16-Q18 PolarHBondContact O-N 3.47Å; S16-Q18 VanDerWaalsContact O-N 3.13Å; S16-Q18 PolarHBondContact OG-N 2.85Å | ||
| 19 | G | 88.6 | Confident | 92.9 | Very high | 51 Ų | 51 | 52.7 Ų | 52.7 | 53% | 0.526 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 88.8 | 179.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K37 | G19-K37 PolarHBondContact O-NZ 2.85Š|
| 20 | K | 87.6 | Confident | 93 | Very high | 215 Ų | 215 | 53.6 Ų | 53.6 | 94% | 0.935 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -75.7 | -53.6 | -170.2 | -172.7 | 178.9 | -179.8 | -178.7 | 0 | 113.3 | ||
| 21 | D | 90.1 | Very high | 93 | Very high | 97 Ų | 97 | 52.7 Ų | 52.7 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | trans | -135.6 | 93.1 | 174.7 | 179.5 | 3 | 0 | 0 | 0 | 109.6 | V23 A24 | D21-V23 VanDerWaalsContact C-N 3.32Å; D21-V23 WeakPolarHBondContact OD1-CG2 3.47Å; D21-V23 PolarHBondContact OD1-N 3.44Å; D21-A24 PolarHBondContact OD1-N 3.33Å; D21-A24 WeakPolarHBondContact OD2-CB 3.32Å | ||
| 22 | P | 90.9 | Very high | 92.8 | Very high | 22 Ų | 22 | 56.9 Ų | 56.9 | 14% | 0.143 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -81.9 | -10.3 | 177.4 | 33.3 | -34.7 | 0 | 0 | 0 | 113.5 | F15 S16 Y48 | F15-P22 HydrophobicContact CD2-CB 4.17Å; F15-P22 HydrophobicContact CE2-CB 3.93Å; F15-P22 HydrophobicContact CE2-CG 4.23Å; S16-P22 WeakPolarHBondContact O-CB 3.29Å; P22-Y48 HydrophobicContact CG-CD2 4.35Å; P22-Y48 HydrophobicContact CG-CE2 3.43Å; P22-Y48 VanDerWaalsContact CG-CE2 3.43Å |
| 23 | V | 93.8 | Very high | 92.6 | Very high | 22 Ų | 22 | 60.5 Ų | 60.5 | 13% | 0.133 | 36% | 0.361 | C | S | . | . | trans | -102.9 | -1.6 | -176.8 | -69.9 | 0 | 0 | 0 | 0 | 113.6 | F15 D21 K25 W26 L28 Y48 | F15-V23 HydrophobicContact CE2-CG1 4.13Å; D21-V23 VanDerWaalsContact C-N 3.32Å; D21-V23 WeakPolarHBondContact OD1-CG2 3.47Å; D21-V23 PolarHBondContact OD1-N 3.44Å; V23-K25 PolarHBondContact O-N 3Å; V23-W26 HydrophobicContact CB-CB 4.44Å; V23-W26 WeakPolarHBondContact O-CA 3.47Å; V23-W26 WeakPolarHBondContact O-CB 3.47Å; V23-W26 PolarHBondContact O-N 3.37Å; V23-L28 HydrophobicContact CB-CD1 4.32Å; V23-L28 HydrophobicContact CB-CD2 4.46Å; V23-L28 HydrophobicContact CG1-CD1 4.45Å; V23-L28 HydrophobicContact CG1-CD2 4.25Å; V23-L28 HydrophobicContact CG2-CD1 4.25Å; V23-Y48 HydrophobicContact CB-CE1 4.41Å; V23-Y48 HydrophobicContact CG1-CD1 3.89Å; V23-Y48 HydrophobicContact CG1-CE1 3.41Å; V23-Y48 VanDerWaalsContact CG1-CE1 3.41Å; V23-Y48 HydrophobicContact CG1-CE2 4.36Å; V23-Y48 HydrophobicContact CG2-CE1 4.13Å | ||
| 24 | A | 92.1 | Very high | 92.5 | Very high | 55 Ų | 55 | 58.4 Ų | 58.4 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -41.5 | -41.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D21 | D21-A24 PolarHBondContact OD1-N 3.33Å; D21-A24 WeakPolarHBondContact OD2-CB 3.32Å |
| 25 | K | 93.2 | Very high | 92.6 | Very high | 103 Ų | 103 | 58.4 Ų | 58.4 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -12.7 | -177.4 | -65.7 | 175.7 | 177.8 | 171.6 | 0 | 114.1 | M1 F2 V23 M61 K63 | M1-K25 HydrophobicContact CE-CB 3.93Å; M1-K25 HydrophobicContact CE-CD 3.95Å; M1-K25 HydrophobicContact CE-CG 3.76Å; F2-K25 HydrophobicContact CE1-CD 4.45Å; F2-K25 HydrophobicContact CZ-CD 4.12Å; V23-K25 PolarHBondContact O-N 3Å; K25-M61 HydrophobicContact CB-CG 4.44Å; K25-M61 HydrophobicContact CB-SD 3.7Å; K25-K63 PolarHBondContact O-N 2.77Å |
| 26 | W | 96.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.015 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -95.7 | 152.6 | -174.7 | -65 | 76.1 | 0 | 0 | 0 | 111.2 | F15 V23 L28 M59 Q60 M61 I156 I167 | F15-W26 HydrophobicContact CB-CZ2 3.85Å; F15-W26 AromaticContact CD2-NE1 3.88Å; F15-W26 HydrophobicContact CG-CZ2 4.46Å; V23-W26 HydrophobicContact CB-CB 4.44Å; V23-W26 WeakPolarHBondContact O-CA 3.47Å; V23-W26 WeakPolarHBondContact O-CB 3.47Å; V23-W26 PolarHBondContact O-N 3.37Å; W26-L28 HydrophobicContact CB-CD2 4.33Å; W26-M59 HydrophobicContact CD2-CE 3.82Å; W26-M59 HydrophobicContact CE3-CB 3.87Å; W26-M59 HydrophobicContact CE3-CE 3.56Å; W26-M59 HydrophobicContact CE3-CG 3.86Å; W26-M59 HydrophobicContact CH2-CE 3.62Å; W26-M59 HydrophobicContact CZ2-CE 3.82Å; W26-M59 HydrophobicContact CZ3-CB 4.41Å; W26-M59 HydrophobicContact CZ3-CE 3.47Å; W26-M59 VanDerWaalsContact CZ3-CE 3.47Å; W26-M59 HydrophobicContact CZ3-CG 3.93Å; W26-Q60 CarbonylContact C-O 3.51Å; W26-Q60 VanDerWaalsContact CA-O 3.3Å; W26-Q60 WeakPolarHBondContact CA-O 3.31Å; W26-M61 HydrophobicContact CD2-CB 3.68Å; W26-M61 HydrophobicContact CD2-CG 4.33Å; W26-M61 HydrophobicContact CD2-SD 4.35Å; W26-M61 HydrophobicContact CE3-CB 3.69Å; W26-M61 HydrophobicContact CG-CB 4.29Å; W26-M61 HydrophobicContact CG-SD 4.47Å; W26-M61 HydrophobicContact CH2-CB 3.88Å; W26-M61 HydrophobicContact CH2-CE 4.43Å; W26-M61 HydrophobicContact CZ2-CB 3.9Å; W26-M61 HydrophobicContact CZ2-CE 3.72Å; W26-M61 HydrophobicContact CZ2-SD 4.1Å; W26-M61 HydrophobicContact CZ3-CB 3.79Å; W26-I156 HydrophobicContact CH2-CB 4.37Å; W26-I156 HydrophobicContact CH2-CG2 4.12Å; W26-I156 HydrophobicContact CZ3-CG2 4.5Å; W26-I167 HydrophobicContact CH2-CD1 3.5Å; W26-I167 VanDerWaalsContact CH2-CD1 3.5Å; W26-I167 HydrophobicContact CZ2-CD1 3.78Å; W26-I167 HydrophobicContact CZ3-CD1 4.47Å |
| 27 | K | 95.9 | Very high | 92.5 | Very high | 93 Ų | 93 | 63.1 Ų | 63.1 | 40% | 0.404 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 121.3 | 159.5 | 177.2 | 175.6 | -179.4 | -179.8 | 0 | 107.5 | M59 Q60 K63 | K27-M59 WeakPolarHBondContact O-CA 3.22Å; K27-Q60 HydrophobicContact CB-CB 4.44Å; K27-Q60 PolarHBondContact N-O 3.47Å; K27-Q60 PolarHBondContact O-N 3.02Å; K27-K63 HydrophobicContact CB-CB 4.4Å; K27-K63 HydrophobicContact CB-CG 4.02Å |
| 28 | L | 95.8 | Very high | 92.7 | Very high | 64 Ų | 64 | 66.4 Ų | 66.4 | 34% | 0.335 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 132.1 | 169.6 | -54.5 | -172.8 | 0 | 0 | 0 | 108.4 | V23 W26 I35 M59 | V23-L28 HydrophobicContact CB-CD1 4.32Å; V23-L28 HydrophobicContact CB-CD2 4.46Å; V23-L28 HydrophobicContact CG1-CD1 4.45Å; V23-L28 HydrophobicContact CG1-CD2 4.25Å; V23-L28 HydrophobicContact CG2-CD1 4.25Å; W26-L28 HydrophobicContact CB-CD2 4.33Å; L28-I35 HydrophobicContact CB-CD1 4.24Å; L28-I35 HydrophobicContact CD1-CB 4.49Å; L28-I35 HydrophobicContact CD1-CG2 3.98Å; L28-I35 HydrophobicContact CD2-CD1 4.42Å; L28-I35 HydrophobicContact CD2-CG2 4.18Å; L28-M59 HydrophobicContact CD2-CB 3.67Å |
| 29 | C | 94.8 | Very high | 93 | Very high | 34 Ų | 34 | 67.4 Ų | 67.4 | 23% | 0.23 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.7 | 166.1 | -67 | 0 | 0 | 0 | 0 | 107.2 | I35 T56 V57 K58 | C29-I35 VanDerWaalsContact O-CD1 3.24Å; C29-I35 WeakPolarHBondContact O-CD1 3.47Å; C29-T56 CarbonylContact C-O 3.59Å; C29-V57 VanDerWaalsContact O-CA 3.31Å; C29-V57 WeakPolarHBondContact O-CA 3.4Å; C29-K58 HydrophobicContact CB-CG 3.87Å; C29-K58 PolarHBondContact N-O 3.01Å; C29-K58 PolarHBondContact O-N 2.97Å |
| 30 | G | 92.1 | Very high | 93.4 | Very high | 46 Ų | 46 | 66 Ų | 66 | 47% | 0.474 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 129.4 | 158 | -169.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 31 | G | 89.6 | Confident | 93.7 | Very high | 41 Ų | 41 | 64.4 Ų | 64.4 | 42% | 0.423 | 36% | 0.36 | S | S | . | . | trans | -76.4 | 164.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S33 A34 I35 | G31-S33 PolarHBondContact O-N 2.78Å; G31-S33 VanDerWaalsContact O-N 3.14Å; G31-A34 WeakPolarHBondContact O-CB 3.43Å; G31-A34 PolarHBondContact O-N 2.84Å; G31-I35 PolarHBondContact O-N 2.81Å; G31-I35 VanDerWaalsContact O-N 3.11Å | ||
| 32 | P | 89.3 | Confident | 93.9 | Very high | 119 Ų | 119 | 63.3 Ų | 63.3 | 77% | 0.773 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29.7 | 178.9 | -26.8 | 35.9 | 0 | 0 | 0 | 114.4 | I35 | P32-I35 CarbonylContact O-C 3.53Š|
| 33 | S | 90.7 | Very high | 94.1 | Very high | 105 Ų | 105 | 62.5 Ų | 62.5 | 73% | 0.734 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -36.7 | 173.7 | -37.9 | 0 | 0 | 0 | 0 | 112.5 | G31 H36 | G31-S33 PolarHBondContact O-N 2.78Å; G31-S33 VanDerWaalsContact O-N 3.14Å; S33-H36 PolarHBondContact O-ND1 3.45Å |
| 34 | A | 94.1 | Very high | 94.1 | Very high | 20 Ų | 20 | 66.6 Ų | 66.6 | 17% | 0.165 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -25.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | G31 L50 E51 V57 | G31-A34 WeakPolarHBondContact O-CB 3.43Å; G31-A34 PolarHBondContact O-N 2.84Å; A34-L50 CarbonylContact O-C 3.58Å; A34-L50 WeakPolarHBondContact O-CA 3.48Å; A34-E51 WeakPolarHBondContact CB-O 3.22Å; A34-E51 PolarHBondContact O-N 3.07Å; A34-V57 HydrophobicContact CB-CG1 4.09Å; A34-V57 HydrophobicContact CB-CG2 3.95Å |
| 35 | I | 96.2 | Very high | 94.2 | Very high | 12 Ų | 12 | 64.1 Ų | 64.1 | 6% | 0.062 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 99.2 | 171.1 | -52.7 | -172.6 | 0 | 0 | 0 | 109.8 | L28 C29 G31 P32 Y48 C49 L50 V57 K58 | L28-I35 HydrophobicContact CB-CD1 4.24Å; L28-I35 HydrophobicContact CD1-CB 4.49Å; L28-I35 HydrophobicContact CD1-CG2 3.98Å; L28-I35 HydrophobicContact CD2-CD1 4.42Å; L28-I35 HydrophobicContact CD2-CG2 4.18Å; C29-I35 VanDerWaalsContact O-CD1 3.24Å; C29-I35 WeakPolarHBondContact O-CD1 3.47Å; G31-I35 PolarHBondContact O-N 2.81Å; G31-I35 VanDerWaalsContact O-N 3.11Å; P32-I35 CarbonylContact O-C 3.53Å; I35-Y48 HydrophobicContact CG2-CD1 4.04Å; I35-C49 WeakPolarHBondContact CA-O 3.43Å; I35-L50 HydrophobicContact CD1-CD2 4.38Å; I35-L50 HydrophobicContact CD1-CG 4.21Å; I35-L50 HydrophobicContact CG1-CG 4.16Å; I35-L50 HydrophobicContact CG2-CD1 4.38Å; I35-L50 HydrophobicContact CG2-CG 4.32Å; I35-V57 HydrophobicContact CD1-CG1 3.9Å; I35-V57 HydrophobicContact CG1-CG1 3.62Å; I35-K58 WeakPolarHBondContact CD1-O 3.28Å |
| 36 | H | 94.9 | Very high | 94.4 | Very high | 58 Ų | 58 | 63.1 Ų | 63.1 | 27% | 0.269 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 160.8 | -175.4 | 65.3 | -99.5 | 0 | 0 | 0 | 112.6 | S33 Y48 C49 E51 | S33-H36 PolarHBondContact O-ND1 3.45Å; H36-Y48 WeakPolarHBondContact O-CA 3.21Å; H36-C49 PolarHBondContact N-O 3.18Å; H36-C49 VanDerWaalsContact N-O 3.16Å; H36-C49 WeakPolarHBondContact NE2-CB 3.37Å; H36-C49 PolarHBondContact O-N 3.45Å; H36-E51 IonicContact CE1-OE1 2.73Å; H36-E51 IonicContact CE1-OE2 3.33Å |
| 37 | K | 95.9 | Very high | 94.4 | Very high | 72 Ų | 72 | 62.9 Ų | 62.9 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 120.9 | 175.5 | -178 | 176 | 174.9 | 161.9 | 0 | 109.6 | G17 G19 F46 V47 Y48 | G17-K37 WeakPolarHBondContact O-CE 3.43Å; G17-K37 PolarHBondContact O-NZ 3.03Å; G19-K37 PolarHBondContact O-NZ 2.85Å; K37-F46 HydrophobicContact CD-CD1 4.33Å; K37-F46 VanDerWaalsContact CE-CB 3.44Å; K37-F46 HydrophobicContact CG-CB 4.27Å; K37-F46 HydrophobicContact CG-CD1 4Å; K37-F46 HydrophobicContact CG-CG 4.46Å; K37-V47 WeakPolarHBondContact CA-O 3.29Å; K37-Y48 HydrophobicContact CB-CD2 4.23Å; K37-Y48 HydrophobicContact CB-CE1 4.42Å; K37-Y48 HydrophobicContact CB-CE2 3.68Å; K37-Y48 HydrophobicContact CD-CE2 3.89Å; K37-Y48 HydrophobicContact CG-CD2 4.27Å; K37-Y48 HydrophobicContact CG-CE2 3.76Å |
| 38 | E | 95.6 | Very high | 94.4 | Very high | 68 Ų | 68 | 59.5 Ų | 59.5 | 32% | 0.318 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 147.5 | -179.8 | -163.9 | -163.6 | 164.8 | 0 | 0 | 110.4 | F46 V47 C49 K163 | E38-F46 CarbonylContact O-C 3.52Å; E38-F46 VanDerWaalsContact O-CA 3.27Å; E38-F46 WeakPolarHBondContact O-CA 3.19Å; E38-V47 HydrophobicContact CB-CG2 4.37Å; E38-V47 PolarHBondContact N-O 3.22Å; E38-V47 PolarHBondContact O-N 3.5Å; E38-C49 VanDerWaalsContact CB-SG 3.59Å; E38-C49 PolarHBondContact OE2-SG 2.94Å; E38-K163 IonicContact OE2-NZ 3.13Å; E38-K163 PolarHBondContact OE2-NZ 3.43Å |
| 39 | Y | 96.5 | Very high | 94.4 | Very high | 115 Ų | 115 | 56.5 Ų | 56.5 | 45% | 0.451 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 106.4 | 163.8 | -178.6 | -91.5 | 0 | 0 | 0 | 109.6 | K41 K44 F46 | Y39-K41 HydrophobicContact CE1-CG 4.37Å; Y39-K44 WeakPolarHBondContact OH-CA 3.36Å; Y39-F46 HydrophobicContact CD2-CD1 4.46Å; Y39-F46 HydrophobicContact CD2-CD2 4.38Å; Y39-F46 HydrophobicContact CD2-CE1 4.35Å; Y39-F46 HydrophobicContact CD2-CE2 4.25Å; Y39-F46 HydrophobicContact CD2-CG 4.48Å; Y39-F46 HydrophobicContact CD2-CZ 4.24Å |
| 40 | N | 95.8 | Very high | 94.5 | Very high | 22 Ų | 22 | 54.9 Ų | 54.9 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 125.9 | 175.2 | 175.4 | -73.2 | 0 | 0 | 0 | 109.9 | E42 V43 K44 G45 V47 | N40-E42 VanDerWaalsContact OD1-CB 3.31Å; N40-E42 WeakPolarHBondContact OD1-CB 3.48Å; N40-E42 PolarHBondContact OD1-N 2.88Å; N40-V43 HydrophobicContact CB-CG2 4.03Å; N40-V43 PolarHBondContact OD1-N 3.47Å; N40-K44 PolarHBondContact O-N 3.39Å; N40-G45 PolarHBondContact N-O 2.85Å; N40-G45 PolarHBondContact O-N 3.36Å; N40-G45 VanDerWaalsContact O-N 3.13Å; N40-V47 HydrophobicContact CB-CG1 4.05Å; N40-V47 HydrophobicContact CB-CG2 3.8Å |
| 41 | K | 94.8 | Very high | 94.6 | Very high | 180 Ų | 180 | 56.2 Ų | 56.2 | 78% | 0.783 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -34.3 | -174.7 | -66.3 | 178.7 | -179.6 | 175 | 0 | 113.6 | Y39 K44 | Y39-K41 HydrophobicContact CE1-CG 4.37Å; K41-K44 WeakPolarHBondContact O-CG 3.45Å; K41-K44 PolarHBondContact O-N 2.89Å |
| 42 | E | 94.1 | Very high | 94.6 | Very high | 75 Ų | 75 | 56.3 Ų | 56.3 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -55.2 | -177.2 | -176.2 | -171.5 | -175.5 | 0 | 0 | 110.2 | N40 K44 W132 V201 | N40-E42 VanDerWaalsContact OD1-CB 3.31Å; N40-E42 WeakPolarHBondContact OD1-CB 3.48Å; N40-E42 PolarHBondContact OD1-N 2.88Å; E42-K44 PolarHBondContact O-N 2.79Å; E42-W132 VanDerWaalsContact CD-NE1 3.33Å; E42-W132 PolarHBondContact OE2-NE1 2.8Å; E42-V201 HydrophobicContact CG-CG1 4.44Å; E42-V201 VanDerWaalsContact O-CG2 3.3Å; E42-V201 WeakPolarHBondContact O-CG2 3.47Å |
| 43 | V | 94.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 5.8 | 176.5 | -49.8 | 0 | 0 | 0 | 0 | 114 | N40 G45 V47 W132 Y197 V201 | N40-V43 HydrophobicContact CB-CG2 4.03Å; N40-V43 PolarHBondContact OD1-N 3.47Å; V43-G45 VanDerWaalsContact C-N 3.26Å; V43-G45 PolarHBondContact O-N 3.05Å; V43-V47 HydrophobicContact CG2-CG1 3.72Å; V43-W132 HydrophobicContact CG1-CD2 3.58Å; V43-W132 HydrophobicContact CG1-CE3 4.25Å; V43-W132 HydrophobicContact CG1-CG 3.88Å; V43-W132 HydrophobicContact CG1-CH2 4.46Å; V43-W132 HydrophobicContact CG1-CZ2 3.82Å; V43-W132 HydrophobicContact CG2-CZ2 4.43Å; V43-Y197 HydrophobicContact CB-CD1 4.32Å; V43-Y197 HydrophobicContact CG1-CD1 3.75Å; V43-Y197 HydrophobicContact CG1-CE1 3.83Å; V43-V201 HydrophobicContact CB-CG2 4.41Å; V43-V201 HydrophobicContact CG1-CG1 4.29Å; V43-V201 HydrophobicContact CG1-CG2 4.17Å |
| 44 | K | 94 | Very high | 94.4 | Very high | 108 Ų | 108 | 50.3 Ų | 50.3 | 47% | 0.47 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47 | 45.9 | 179.5 | -63.2 | 170.3 | -176.8 | 164.4 | 0 | 112.8 | Y39 N40 K41 E42 P198 D200 | Y39-K44 WeakPolarHBondContact OH-CA 3.36Å; N40-K44 PolarHBondContact O-N 3.39Å; K41-K44 WeakPolarHBondContact O-CG 3.45Å; K41-K44 PolarHBondContact O-N 2.89Å; E42-K44 PolarHBondContact O-N 2.79Å; K44-P198 HydrophobicContact CB-CG 4.46Å; K44-P198 HydrophobicContact CD-CB 4.5Å; K44-D200 WeakPolarHBondContact CE-OD2 3.34Å; K44-D200 IonicContact NZ-OD1 2.65Å; K44-D200 PolarHBondContact NZ-OD1 2.95Å; K44-D200 IonicContact NZ-OD2 2.79Å; K44-D200 PolarHBondContact NZ-OD2 2.89Å |
| 45 | G | 94.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 57 Ų | 57 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.5 | 170.8 | -170 | 0 | 0 | 0 | 0 | 0 | 114.8 | N40 V43 | N40-G45 PolarHBondContact N-O 2.85Å; N40-G45 PolarHBondContact O-N 3.36Å; N40-G45 VanDerWaalsContact O-N 3.13Å; V43-G45 VanDerWaalsContact C-N 3.26Å; V43-G45 PolarHBondContact O-N 3.05Å |
| 46 | F | 96.3 | Very high | 93.9 | Very high | 81 Ų | 81 | 60.8 Ų | 60.8 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 139.1 | 177.6 | -68.9 | -79.1 | 0 | 0 | 0 | 112 | G17 K37 E38 Y39 | G17-F46 WeakPolarHBondContact CA-O 3.22Å; G17-F46 WeakPolarHBondContact O-CB 3.49Å; K37-F46 HydrophobicContact CD-CD1 4.33Å; K37-F46 VanDerWaalsContact CE-CB 3.44Å; K37-F46 HydrophobicContact CG-CB 4.27Å; K37-F46 HydrophobicContact CG-CD1 4Å; K37-F46 HydrophobicContact CG-CG 4.46Å; E38-F46 CarbonylContact O-C 3.52Å; E38-F46 VanDerWaalsContact O-CA 3.27Å; E38-F46 WeakPolarHBondContact O-CA 3.19Å; Y39-F46 HydrophobicContact CD2-CD1 4.46Å; Y39-F46 HydrophobicContact CD2-CD2 4.38Å; Y39-F46 HydrophobicContact CD2-CE1 4.35Å; Y39-F46 HydrophobicContact CD2-CE2 4.25Å; Y39-F46 HydrophobicContact CD2-CG 4.48Å; Y39-F46 HydrophobicContact CD2-CZ 4.24Å |
| 47 | V | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 162.5 | 177.3 | -57.6 | 0 | 0 | 0 | 0 | 109 | K37 E38 N40 V43 W132 K163 V164 R165 | K37-V47 WeakPolarHBondContact CA-O 3.29Å; E38-V47 HydrophobicContact CB-CG2 4.37Å; E38-V47 PolarHBondContact N-O 3.22Å; E38-V47 PolarHBondContact O-N 3.5Å; N40-V47 HydrophobicContact CB-CG1 4.05Å; N40-V47 HydrophobicContact CB-CG2 3.8Å; V43-V47 HydrophobicContact CG2-CG1 3.72Å; V47-W132 HydrophobicContact CB-CH2 4.29Å; V47-W132 HydrophobicContact CG1-CH2 3.74Å; V47-W132 HydrophobicContact CG1-CZ2 4.31Å; V47-K163 HydrophobicContact CG2-CB 4.44Å; V47-V164 WeakPolarHBondContact CA-O 3.44Å; V47-V164 WeakPolarHBondContact CB-O 3.43Å; V47-R165 HydrophobicContact CG1-CB 4.16Å |
| 48 | Y | 96.3 | Very high | 94 | Very high | 22 Ų | 22 | 57.6 Ų | 57.6 | 9% | 0.086 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125.6 | 168.8 | -92.9 | -111.4 | 0 | 0 | 0 | 110.4 | F15 P22 V23 I35 H36 K37 K163 V164 | F15-Y48 HydrophobicContact CE2-CD2 4.03Å; F15-Y48 HydrophobicContact CE2-CE2 4.44Å; F15-Y48 HydrophobicContact CE2-CG 4.29Å; F15-Y48 AromaticContact CZ-CD2 3.63Å; F15-Y48 HydrophobicContact CZ-CD2 3.63Å; F15-Y48 HydrophobicContact CZ-CE2 4.42Å; F15-Y48 AromaticContact CZ-CG 3.9Å; F15-Y48 HydrophobicContact CZ-CG 3.9Å; P22-Y48 HydrophobicContact CG-CD2 4.35Å; P22-Y48 HydrophobicContact CG-CE2 3.43Å; P22-Y48 VanDerWaalsContact CG-CE2 3.43Å; V23-Y48 HydrophobicContact CB-CE1 4.41Å; V23-Y48 HydrophobicContact CG1-CD1 3.89Å; V23-Y48 HydrophobicContact CG1-CE1 3.41Å; V23-Y48 VanDerWaalsContact CG1-CE1 3.41Å; V23-Y48 HydrophobicContact CG1-CE2 4.36Å; V23-Y48 HydrophobicContact CG2-CE1 4.13Å; I35-Y48 HydrophobicContact CG2-CD1 4.04Å; H36-Y48 WeakPolarHBondContact O-CA 3.21Å; K37-Y48 HydrophobicContact CB-CD2 4.23Å; K37-Y48 HydrophobicContact CB-CE1 4.42Å; K37-Y48 HydrophobicContact CB-CE2 3.68Å; K37-Y48 HydrophobicContact CD-CE2 3.89Å; K37-Y48 HydrophobicContact CG-CD2 4.27Å; K37-Y48 HydrophobicContact CG-CE2 3.76Å; Y48-K163 CarbonylContact O-C 3.57Å; Y48-K163 WeakPolarHBondContact O-CA 3.46Å; Y48-V164 PolarHBondContact N-O 2.85Å; Y48-V164 PolarHBondContact O-N 3.16Å |
| 49 | C | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.6 | 177 | -57.5 | 0 | 0 | 0 | 0 | 108.2 | I35 H36 E38 E51 K163 | I35-C49 WeakPolarHBondContact CA-O 3.43Å; H36-C49 PolarHBondContact N-O 3.18Å; H36-C49 VanDerWaalsContact N-O 3.16Å; H36-C49 WeakPolarHBondContact NE2-CB 3.37Å; H36-C49 PolarHBondContact O-N 3.45Å; E38-C49 VanDerWaalsContact CB-SG 3.59Å; E38-C49 PolarHBondContact OE2-SG 2.94Å; C49-E51 HydrophobicContact CB-CG 4.39Å; C49-K163 HydrophobicContact CB-CD 4.48Å; C49-K163 HydrophobicContact CB-CG 4.29Å; C49-K163 WeakPolarHBondContact SG-CD 3.44Å; C49-K163 WeakPolarHBondContact SG-CE 3.44Å |
| 50 | L | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 111.1 | 171.9 | -76.5 | 75.2 | 0 | 0 | 0 | 106.5 | A34 I35 V57 M59 A160 T161 C162 V164 | A34-L50 CarbonylContact O-C 3.58Å; A34-L50 WeakPolarHBondContact O-CA 3.48Å; I35-L50 HydrophobicContact CD1-CD2 4.38Å; I35-L50 HydrophobicContact CD1-CG 4.21Å; I35-L50 HydrophobicContact CG1-CG 4.16Å; I35-L50 HydrophobicContact CG2-CD1 4.38Å; I35-L50 HydrophobicContact CG2-CG 4.32Å; L50-V57 HydrophobicContact CB-CG1 4.47Å; L50-M59 HydrophobicContact CD1-SD 3.79Å; L50-M59 HydrophobicContact CD2-CB 4.24Å; L50-M59 HydrophobicContact CD2-CG 3.88Å; L50-M59 HydrophobicContact CD2-SD 4.2Å; L50-A160 HydrophobicContact CB-CB 4.2Å; L50-T161 CarbonylContact O-C 3.55Å; L50-T161 WeakPolarHBondContact O-CA 3.36Å; L50-T161 WeakPolarHBondContact O-CG2 3.41Å; L50-C162 PolarHBondContact N-O 3.26Å; L50-C162 PolarHBondContact O-N 3.49Å; L50-V164 HydrophobicContact CD1-CG2 4.3Å |
| 51 | E | 94.1 | Very high | 94.1 | Very high | 75 Ų | 75 | 50.1 Ų | 50.1 | 35% | 0.35 | 26% | 0.257 | S | S | . | . | trans | -126.4 | 130 | -171.2 | -63.9 | -177.9 | 172.7 | 0 | 0 | 110.6 | A34 H36 C49 T161 K163 | A34-E51 WeakPolarHBondContact CB-O 3.22Å; A34-E51 PolarHBondContact O-N 3.07Å; H36-E51 IonicContact CE1-OE1 2.73Å; H36-E51 IonicContact CE1-OE2 3.33Å; C49-E51 HydrophobicContact CB-CG 4.39Å; E51-T161 HydrophobicContact CG-CG2 4.37Å; E51-K163 IonicContact OE1-NZ 3.86Å | ||
| 52 | G | 90.8 | Very high | 94.2 | Very high | 43 Ų | 43 | 41.8 Ų | 41.8 | 44% | 0.443 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 124.9 | -156.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A160 T161 | G52-A160 WeakPolarHBondContact O-CB 3.45Å; G52-T161 PolarHBondContact N-OG1 2.94Å; G52-T161 PolarHBondContact O-OG1 3.4Å |
| 53 | S | 88.5 | Confident | 94.2 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 39% | 0.385 | 23% | 0.232 | S | C | . | . | trans | -74.9 | 132.3 | -177.7 | -177.8 | 0 | 0 | 0 | 0 | 112 | H55 T56 V57 | S53-H55 PolarHBondContact O-N 2.66Å; S53-H55 VanDerWaalsContact O-N 3.16Å; S53-H55 PolarHBondContact OG-N 2.85Å; S53-T56 PolarHBondContact O-N 3.42Å; S53-T56 VanDerWaalsContact O-N 3.14Å; S53-T56 PolarHBondContact O-OG1 3.12Å; S53-V57 WeakPolarHBondContact O-CB 3.42Å; S53-V57 PolarHBondContact O-N 2.87Å | ||
| 54 | S | 87.4 | Confident | 94 | Very high | 42 Ų | 42 | 48.1 Ų | 48.1 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.3 | 171.5 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | F159 A160 | S54-F159 VanDerWaalsContact O-CD1 3.25Å; S54-F159 WeakPolarHBondContact O-CD1 3.26Å; S54-A160 WeakPolarHBondContact CB-O 3.22Å |
| 55 | H | 87.7 | Confident | 93.5 | Very high | 161 Ų | 161 | 46.5 Ų | 46.5 | 75% | 0.745 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -32 | 178 | -60.8 | -66.5 | 0 | 0 | 0 | 113 | S53 | S53-H55 PolarHBondContact O-N 2.66Å; S53-H55 VanDerWaalsContact O-N 3.16Å; S53-H55 PolarHBondContact OG-N 2.85Å |
| 56 | T | 91.6 | Very high | 93.1 | Very high | 92 Ų | 92 | 55.6 Ų | 55.6 | 56% | 0.564 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -32.5 | -173.3 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | C29 S53 | C29-T56 CarbonylContact C-O 3.59Å; S53-T56 PolarHBondContact O-N 3.42Å; S53-T56 VanDerWaalsContact O-N 3.14Å; S53-T56 PolarHBondContact O-OG1 3.12Å |
| 57 | V | 96.4 | Very high | 93 | Very high | 7 Ų | 7 | 56.2 Ų | 56.2 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | trans | -104.4 | 113.6 | -173.7 | -174 | 0 | 0 | 0 | 0 | 110.9 | C29 A34 I35 L50 S53 A160 | C29-V57 VanDerWaalsContact O-CA 3.31Å; C29-V57 WeakPolarHBondContact O-CA 3.4Å; A34-V57 HydrophobicContact CB-CG1 4.09Å; A34-V57 HydrophobicContact CB-CG2 3.95Å; I35-V57 HydrophobicContact CD1-CG1 3.9Å; I35-V57 HydrophobicContact CG1-CG1 3.62Å; L50-V57 HydrophobicContact CB-CG1 4.47Å; S53-V57 WeakPolarHBondContact O-CB 3.42Å; S53-V57 PolarHBondContact O-N 2.87Å; V57-A160 HydrophobicContact CB-CB 3.7Å; V57-A160 HydrophobicContact CG1-CB 3.81Å; V57-A160 PolarHBondContact O-N 2.76Å | ||
| 58 | K | 96.2 | Very high | 92.9 | Very high | 56 Ų | 56 | 58.1 Ų | 58.1 | 24% | 0.243 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 154 | 179.9 | 60.5 | -171.1 | -177.6 | -172.1 | 0 | 113.7 | C29 I35 T157 L158 F159 | C29-K58 HydrophobicContact CB-CG 3.87Å; C29-K58 PolarHBondContact N-O 3.01Å; C29-K58 PolarHBondContact O-N 2.97Å; I35-K58 WeakPolarHBondContact CD1-O 3.28Å; K58-T157 HydrophobicContact CB-CG2 4.23Å; K58-T157 HydrophobicContact CD-CG2 3.99Å; K58-T157 HydrophobicContact CG-CG2 4.41Å; K58-L158 CarbonylContact C-O 3.49Å; K58-L158 VanDerWaalsContact CA-O 3.25Å; K58-L158 WeakPolarHBondContact CA-O 3.5Å; K58-L158 VanDerWaalsContact CB-O 3.26Å; K58-L158 WeakPolarHBondContact CB-O 3.24Å; K58-F159 HydrophobicContact CB-CD1 3.75Å; K58-F159 HydrophobicContact CB-CE1 4.26Å; K58-F159 HydrophobicContact CB-CG 4.24Å; K58-F159 HydrophobicContact CD-CD1 3.65Å; K58-F159 HydrophobicContact CD-CE1 3.33Å; K58-F159 HydrophobicContact CD-CZ 4.16Å; K58-F159 HydrophobicContact CG-CD1 4.36Å; K58-F159 HydrophobicContact CG-CE1 4.45Å |
| 59 | M | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.2 | 168 | 67 | -171.7 | -102.3 | 0 | 0 | 110.2 | F15 W26 K27 L28 L50 T157 L158 V164 I167 | F15-M59 HydrophobicContact CD1-CE 4.49Å; F15-M59 HydrophobicContact CD2-CE 4.25Å; F15-M59 HydrophobicContact CE2-CE 4.38Å; F15-M59 HydrophobicContact CG-CE 4.31Å; W26-M59 HydrophobicContact CD2-CE 3.82Å; W26-M59 HydrophobicContact CE3-CB 3.87Å; W26-M59 HydrophobicContact CE3-CE 3.56Å; W26-M59 HydrophobicContact CE3-CG 3.86Å; W26-M59 HydrophobicContact CH2-CE 3.62Å; W26-M59 HydrophobicContact CZ2-CE 3.82Å; W26-M59 HydrophobicContact CZ3-CB 4.41Å; W26-M59 HydrophobicContact CZ3-CE 3.47Å; W26-M59 VanDerWaalsContact CZ3-CE 3.47Å; W26-M59 HydrophobicContact CZ3-CG 3.93Å; K27-M59 WeakPolarHBondContact O-CA 3.22Å; L28-M59 HydrophobicContact CD2-CB 3.67Å; L50-M59 HydrophobicContact CD1-SD 3.79Å; L50-M59 HydrophobicContact CD2-CB 4.24Å; L50-M59 HydrophobicContact CD2-CG 3.88Å; L50-M59 HydrophobicContact CD2-SD 4.2Å; M59-T157 CarbonylContact O-C 3.5Å; M59-T157 WeakPolarHBondContact O-CA 3.21Å; M59-L158 HydrophobicContact CE-CD1 4.25Å; M59-L158 HydrophobicContact CG-CB 3.9Å; M59-L158 HydrophobicContact CG-CG 4.44Å; M59-L158 PolarHBondContact N-O 2.78Å; M59-L158 PolarHBondContact O-N 2.84Å; M59-L158 HydrophobicContact SD-CB 4.48Å; M59-L158 HydrophobicContact SD-CD1 4.29Å; M59-V164 HydrophobicContact SD-CG2 4.5Å; M59-I167 HydrophobicContact CE-CD1 3.82Å |
| 60 | Q | 97.1 | Very high | 93 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 22% | 0.22 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136 | -177.9 | 179.9 | 173.8 | 39.6 | 0 | 0 | 111.7 | W26 K27 I156 T157 | W26-Q60 CarbonylContact C-O 3.51Å; W26-Q60 VanDerWaalsContact CA-O 3.3Å; W26-Q60 WeakPolarHBondContact CA-O 3.31Å; K27-Q60 HydrophobicContact CB-CB 4.44Å; K27-Q60 PolarHBondContact N-O 3.47Å; K27-Q60 PolarHBondContact O-N 3.02Å; Q60-I156 CarbonylContact C-O 3.58Å; Q60-I156 WeakPolarHBondContact CA-O 3.34Å; Q60-T157 HydrophobicContact CB-CG2 4.13Å |
| 61 | M | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 133.4 | 167.4 | -159.2 | 170.5 | 55.1 | 0 | 0 | 109.8 | F2 L14 K25 W26 L69 G155 I156 | F2-M61 HydrophobicContact CE2-CE 4.13Å; F2-M61 HydrophobicContact CZ-SD 4.45Å; L14-M61 HydrophobicContact CB-CE 3.93Å; L14-M61 HydrophobicContact CD2-CE 4.01Å; L14-M61 HydrophobicContact CG-CE 4.47Å; K25-M61 HydrophobicContact CB-CG 4.44Å; K25-M61 HydrophobicContact CB-SD 3.7Å; W26-M61 HydrophobicContact CD2-CB 3.68Å; W26-M61 HydrophobicContact CD2-CG 4.33Å; W26-M61 HydrophobicContact CD2-SD 4.35Å; W26-M61 HydrophobicContact CE3-CB 3.69Å; W26-M61 HydrophobicContact CG-CB 4.29Å; W26-M61 HydrophobicContact CG-SD 4.47Å; W26-M61 HydrophobicContact CH2-CB 3.88Å; W26-M61 HydrophobicContact CH2-CE 4.43Å; W26-M61 HydrophobicContact CZ2-CB 3.9Å; W26-M61 HydrophobicContact CZ2-CE 3.72Å; W26-M61 HydrophobicContact CZ2-SD 4.1Å; W26-M61 HydrophobicContact CZ3-CB 3.79Å; M61-L69 HydrophobicContact CB-CD2 4.41Å; M61-L69 HydrophobicContact CE-CD2 4.25Å; M61-L69 HydrophobicContact CG-CD2 3.91Å; M61-G155 CarbonylContact O-C 3.58Å; M61-G155 WeakPolarHBondContact O-CA 3.15Å; M61-I156 PolarHBondContact N-O 2.82Å; M61-I156 PolarHBondContact O-N 2.66Å |
| 62 | P | 96.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.032 | 32% | 0.324 | C | S | . | . | S | Bend | cis | -76.4 | 157.8 | 3.2 | 30.9 | -31.5 | 0 | 0 | 0 | 113.4 | M1 N64 M67 L69 | M1-P62 HydrophobicContact SD-CB 3.98Å; P62-N64 PolarHBondContact O-N 3.17Å; P62-N64 VanDerWaalsContact O-N 3.1Å; P62-M67 HydrophobicContact CB-CB 4.18Å; P62-M67 HydrophobicContact CG-CB 3.86Å; P62-M67 WeakPolarHBondContact CG-O 3.04Å; P62-L69 HydrophobicContact CB-CD2 4.14Å; P62-L69 HydrophobicContact CG-CD2 4.24Å |
| 63 | K | 93.6 | Very high | 93.4 | Very high | 131 Ų | 131 | 57.3 Ų | 57.3 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -55.2 | -27.3 | 180 | -171.8 | 170.8 | -174 | 168.8 | 0 | 114.7 | K25 K27 | K25-K63 PolarHBondContact O-N 2.77Å; K27-K63 HydrophobicContact CB-CB 4.4Å; K27-K63 HydrophobicContact CB-CG 4.02Å |
| 64 | N | 90.4 | Very high | 93.6 | Very high | 81 Ų | 81 | 57.9 Ų | 57.9 | 43% | 0.433 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -112.7 | 114.4 | 172.3 | 174.5 | 1.7 | 0 | 0 | 0 | 109.4 | P62 K66 M67 | P62-N64 PolarHBondContact O-N 3.17Å; P62-N64 VanDerWaalsContact O-N 3.1Å; N64-K66 PolarHBondContact O-N 2.94Å; N64-K66 VanDerWaalsContact O-N 3.09Å; N64-K66 WeakPolarHBondContact OD1-CB 3.38Å; N64-K66 PolarHBondContact OD1-N 2.93Å; N64-M67 HydrophobicContact CB-CG 4.11Å; N64-M67 HydrophobicContact CB-SD 4.05Å; N64-M67 WeakPolarHBondContact O-CB 3Å; N64-M67 PolarHBondContact O-N 3.25Å |
| 65 | A | 83.5 | Confident | 94 | Very high | 74 Ų | 74 | 55.9 Ų | 55.9 | 61% | 0.612 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -11.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | M67 | A65-M67 VanDerWaalsContact C-N 3.33Š|
| 66 | K | 87.3 | Confident | 94.5 | Very high | 195 Ų | 195 | 48.2 Ų | 48.2 | 85% | 0.848 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -21.5 | 169.3 | -64.2 | -171.5 | 177 | -174.4 | 0 | 112.7 | N64 | N64-K66 PolarHBondContact O-N 2.94Å; N64-K66 VanDerWaalsContact O-N 3.09Å; N64-K66 WeakPolarHBondContact OD1-CB 3.38Å; N64-K66 PolarHBondContact OD1-N 2.93Å |
| 67 | M | 93.6 | Very high | 94.7 | Very high | 94 Ų | 94 | 43.9 Ų | 43.9 | 46% | 0.463 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -81.8 | 148.8 | 175.3 | -59.8 | 177.2 | 73.6 | 0 | 0 | 110.3 | P62 N64 A65 | P62-M67 HydrophobicContact CB-CB 4.18Å; P62-M67 HydrophobicContact CG-CB 3.86Å; P62-M67 WeakPolarHBondContact CG-O 3.04Å; N64-M67 HydrophobicContact CB-CG 4.11Å; N64-M67 HydrophobicContact CB-SD 4.05Å; N64-M67 WeakPolarHBondContact O-CB 3Å; N64-M67 PolarHBondContact O-N 3.25Å; A65-M67 VanDerWaalsContact C-N 3.33Å |
| 68 | S | 95.3 | Very high | 94.8 | Very high | 41 Ų | 41 | 43.6 Ų | 43.6 | 29% | 0.287 | 22% | 0.22 | S | C | . | . | trans | -91.9 | 154.2 | 164.2 | 52.7 | 0 | 0 | 0 | 0 | 111.4 | M1 D154 | M1-S68 WeakPolarHBondContact CA-O 3.45Å; M1-S68 WeakPolarHBondContact CB-O 3.36Å; M1-S68 PolarHBondContact N-O 2.63Å; S68-D154 CarbonylContact C-O 3.54Å; S68-D154 WeakPolarHBondContact CA-O 3.45Å; S68-D154 WeakPolarHBondContact CB-OD1 3.38Å; S68-D154 WeakPolarHBondContact CB-OD2 3.38Å | ||
| 69 | L | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -66.1 | -62.5 | 157.9 | -61 | -177.7 | 0 | 0 | 0 | 109.3 | M1 F2 M61 P62 L71 L153 D154 I156 | M1-L69 CarbonylContact C-O 3.57Å; M1-L69 WeakPolarHBondContact CA-O 3.5Å; M1-L69 PolarHBondContact N-O 3.35Å; M1-L69 HydrophobicContact SD-CD2 4.29Å; F2-L69 HydrophobicContact CD2-CB 4.43Å; F2-L69 HydrophobicContact CD2-CD2 4.32Å; F2-L69 HydrophobicContact CE2-CD2 3.96Å; F2-L69 PolarHBondContact N-O 3.33Å; M61-L69 HydrophobicContact CB-CD2 4.41Å; M61-L69 HydrophobicContact CE-CD2 4.25Å; M61-L69 HydrophobicContact CG-CD2 3.91Å; P62-L69 HydrophobicContact CB-CD2 4.14Å; P62-L69 HydrophobicContact CG-CD2 4.24Å; L69-L71 HydrophobicContact CB-CD1 3.89Å; L69-L71 HydrophobicContact CB-CG 4.08Å; L69-L71 HydrophobicContact CD1-CD1 3.78Å; L69-L71 HydrophobicContact CG-CD1 4.42Å; L69-L153 WeakPolarHBondContact CB-O 3.49Å; L69-D154 PolarHBondContact N-O 3.12Å; L69-I156 HydrophobicContact CD1-CD1 3.86Å; L69-I156 HydrophobicContact CD1-CG1 3.86Å | ||
| 70 | G | 96.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 41 Ų | 41 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | trans | 80 | 48.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q7 L153 D154 | Q7-G70 PolarHBondContact NE2-O 2.92Å; G70-L153 PolarHBondContact N-O 3.44Å; G70-D154 PolarHBondContact N-OD1 3.1Å | ||
| 71 | L | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -100.3 | 130 | 179.2 | -64.9 | 159.7 | 0 | 0 | 0 | 109.9 | F2 Q7 F12 L14 L69 T152 L153 T169 | F2-L71 HydrophobicContact CB-CD2 3.9Å; F2-L71 HydrophobicContact CD2-CD1 4.35Å; F2-L71 HydrophobicContact CD2-CD2 3.84Å; F2-L71 HydrophobicContact CD2-CG 4.15Å; F2-L71 HydrophobicContact CG-CD2 4.25Å; Q7-L71 VanDerWaalsContact OE1-CA 3.22Å; F12-L71 HydrophobicContact CD1-CD2 3.58Å; F12-L71 HydrophobicContact CE1-CD2 3.66Å; F12-L71 HydrophobicContact CG-CD2 4.22Å; F12-L71 HydrophobicContact CZ-CD2 4.35Å; L14-L71 HydrophobicContact CD1-CD1 3.8Å; L14-L71 HydrophobicContact CD2-CD1 3.69Å; L14-L71 HydrophobicContact CD2-CD2 4.1Å; L14-L71 HydrophobicContact CG-CD1 4.38Å; L69-L71 HydrophobicContact CB-CD1 3.89Å; L69-L71 HydrophobicContact CB-CG 4.08Å; L69-L71 HydrophobicContact CD1-CD1 3.78Å; L69-L71 HydrophobicContact CG-CD1 4.42Å; L71-T152 CarbonylContact O-C 3.48Å; L71-T152 VanDerWaalsContact O-CA 3.22Å; L71-T152 WeakPolarHBondContact O-CA 3.46Å; L71-L153 HydrophobicContact CB-CB 4.2Å; L71-L153 HydrophobicContact CD1-CD2 4.18Å; L71-L153 PolarHBondContact N-O 3.09Å; L71-L153 PolarHBondContact O-N 2.75Å; L71-T169 HydrophobicContact CD1-CG2 4.48Å |
| 72 | I | 96.1 | Very high | 94.5 | Very high | 112 Ų | 112 | 39.4 Ų | 39.4 | 57% | 0.574 | 20% | 0.202 | S | C | * | . | trans | -102.7 | 2 | -172.6 | 61.1 | 167.5 | 0 | 0 | 0 | 113.8 | Q7 T152 | Q7-I72 HydrophobicContact CB-CD1 4.49Å; Q7-I72 HydrophobicContact CB-CG1 4.16Å; I72-T152 HydrophobicContact CG2-CG2 4.09Å | ||
| 73 | Q | 95.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.028 | 21% | 0.21 | C | C | . | . | trans | -83.5 | 129.2 | -176.7 | -74.6 | -174.4 | -12.1 | 0 | 0 | 111.3 | Q7 G9 F75 T169 K171 | Q7-Q73 PolarHBondContact O-NE2 3.31Å; G9-Q73 PolarHBondContact O-NE2 2.91Å; Q73-F75 PolarHBondContact O-N 3.25Å; Q73-T169 PolarHBondContact OE1-O 2.83Å; Q73-T169 PolarHBondContact OE1-OG1 3.03Å; Q73-K171 HydrophobicContact CG-CB 4.36Å | ||
| 74 | R | 93.7 | Very high | 93.5 | Very high | 67 Ų | 67 | 39.8 Ų | 39.8 | 25% | 0.253 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -60 | -38.3 | -171.5 | 173 | 169.4 | 175.7 | 165.2 | 0.6 | 114.5 | D138 L139 E140 M177 | R74-D138 WeakPolarHBondContact CG-OD1 3.33Å; R74-D138 IonicContact CZ-OD1 3.74Å; R74-D138 IonicContact CZ-OD2 2.8Å; R74-D138 IonicContact NE-OD1 3.63Å; R74-D138 PolarHBondContact NE-OD1 3.43Å; R74-D138 IonicContact NE-OD2 3.59Å; R74-D138 PolarHBondContact NE-OD2 3.28Å; R74-D138 IonicContact NH2-OD1 3.78Å; R74-D138 PolarHBondContact NH2-OD1 3.43Å; R74-D138 IonicContact NH2-OD2 3.52Å; R74-D138 PolarHBondContact NH2-OD2 2.94Å; R74-L139 VanDerWaalsContact O-CB 3.25Å; R74-L139 WeakPolarHBondContact O-CB 3.27Å; R74-L139 WeakPolarHBondContact O-CG 3.41Å; R74-L139 PolarHBondContact O-N 3.22Å; R74-E140 HydrophobicContact CG-CB 3.7Å; R74-M177 VanDerWaalsContact CZ-CE 3.47Å; R74-M177 VanDerWaalsContact NH2-CE 3.26Å |
| 75 | F | 95.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 131.8 | -174.7 | -73.2 | -84.8 | 0 | 0 | 0 | 111.4 | Q73 I77 C136 I137 D138 T169 M170 T172 M177 L187 | Q73-F75 PolarHBondContact O-N 3.25Å; F75-I77 HydrophobicContact CB-CD1 3.94Å; F75-C136 VanDerWaalsContact CD1-SG 3.56Å; F75-I137 WeakPolarHBondContact CA-O 3.34Å; F75-D138 HydrophobicContact CD1-CB 4.11Å; F75-D138 HydrophobicContact CE1-CB 3.55Å; F75-D138 HydrophobicContact CZ-CB 4.15Å; F75-T169 CarbonylContact O-C 3.56Å; F75-T169 WeakPolarHBondContact O-CA 3.47Å; F75-T169 VanDerWaalsContact O-CB 3.25Å; F75-T169 WeakPolarHBondContact O-CB 3.37Å; F75-M170 HydrophobicContact CB-CB 4.24Å; F75-M170 PolarHBondContact N-O 2.89Å; F75-M170 PolarHBondContact O-N 2.96Å; F75-T172 HydrophobicContact CD2-CG2 3.86Å; F75-T172 HydrophobicContact CE2-CG2 3.48Å; F75-T172 VanDerWaalsContact CE2-CG2 3.48Å; F75-T172 HydrophobicContact CZ-CG2 4.48Å; F75-M177 HydrophobicContact CZ-CE 4.21Å; F75-L187 HydrophobicContact CE1-CD2 4.5Å |
| 76 | L | 97.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 125.2 | 166.6 | 177.4 | 67 | 0 | 0 | 0 | 109.5 | L14 V78 L92 I137 L139 L153 I156 I167 T169 | L14-L76 HydrophobicContact CD1-CD1 4.2Å; L76-V78 HydrophobicContact CD2-CG2 4.43Å; L76-V78 HydrophobicContact CG-CG2 4.29Å; L76-L92 HydrophobicContact CD2-CD1 3.66Å; L76-L92 HydrophobicContact CD2-CD2 3.5Å; L76-L92 HydrophobicContact CD2-CG 4.26Å; L76-I137 HydrophobicContact CB-CB 4.49Å; L76-I137 PolarHBondContact N-O 3.18Å; L76-I137 PolarHBondContact O-N 3Å; L76-L139 HydrophobicContact CB-CD1 4.16Å; L76-L139 HydrophobicContact CB-CD2 4.28Å; L76-L139 HydrophobicContact CB-CG 4.34Å; L76-L153 HydrophobicContact CD1-CD2 4.01Å; L76-L153 HydrophobicContact CD2-CD2 4.04Å; L76-L153 HydrophobicContact CG-CD2 4.42Å; L76-I156 HydrophobicContact CD1-CD1 3.98Å; L76-I156 HydrophobicContact CD2-CD1 4.37Å; L76-I156 HydrophobicContact CD2-CG1 4.37Å; L76-I167 HydrophobicContact CD1-CG2 3.86Å; L76-T169 HydrophobicContact CB-CG2 4.37Å; L76-T169 HydrophobicContact CD1-CG2 3.76Å |
| 77 | I | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124 | 179 | -60.8 | 76.1 | 0 | 0 | 0 | 109.1 | F75 T134 L135 I167 F168 M170 | F75-I77 HydrophobicContact CB-CD1 3.94Å; I77-T134 HydrophobicContact CG2-CG2 3.7Å; I77-L135 VanDerWaalsContact CA-O 3.31Å; I77-L135 WeakPolarHBondContact CA-O 3.22Å; I77-I167 WeakPolarHBondContact O-CA 3.29Å; I77-F168 HydrophobicContact CB-CD1 4.32Å; I77-F168 HydrophobicContact CB-CD2 4.01Å; I77-F168 HydrophobicContact CB-CE1 4.01Å; I77-F168 HydrophobicContact CB-CE2 3.69Å; I77-F168 HydrophobicContact CB-CG 4.33Å; I77-F168 HydrophobicContact CB-CZ 3.69Å; I77-F168 HydrophobicContact CD1-CD2 4.27Å; I77-F168 HydrophobicContact CD1-CE2 4.13Å; I77-F168 HydrophobicContact CG1-CD2 4.38Å; I77-F168 HydrophobicContact CG1-CE2 3.88Å; I77-F168 HydrophobicContact CG1-CZ 4.22Å; I77-F168 HydrophobicContact CG2-CD1 4.39Å; I77-F168 HydrophobicContact CG2-CE1 3.66Å; I77-F168 HydrophobicContact CG2-CE2 3.94Å; I77-F168 HydrophobicContact CG2-CZ 3.41Å; I77-F168 VanDerWaalsContact CG2-CZ 3.41Å; I77-F168 PolarHBondContact N-O 3.27Å; I77-F168 PolarHBondContact O-N 2.92Å; I77-M170 HydrophobicContact CD1-CB 3.73Å; I77-M170 HydrophobicContact CD1-CG 3.68Å; I77-M170 HydrophobicContact CD1-SD 3.58Å; I77-M170 VanDerWaalsContact CD1-SD 3.58Å; I77-M170 HydrophobicContact CG1-SD 4.06Å |
| 78 | V | 97.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 119.9 | 175.2 | -179.1 | 0 | 0 | 0 | 0 | 109 | L76 V80 L135 L158 I167 | L76-V78 HydrophobicContact CD2-CG2 4.43Å; L76-V78 HydrophobicContact CG-CG2 4.29Å; V78-V80 HydrophobicContact CG1-CB 4.11Å; V78-V80 HydrophobicContact CG1-CG1 4.11Å; V78-L135 HydrophobicContact CB-CB 4.3Å; V78-L135 PolarHBondContact N-O 3.22Å; V78-L135 PolarHBondContact O-N 3.23Å; V78-L158 HydrophobicContact CG1-CD1 4.27Å; V78-L158 HydrophobicContact CG1-CD2 4.44Å; V78-I167 HydrophobicContact CG1-CG1 4.42Å; V78-I167 HydrophobicContact CG2-CG2 4.22Å |
| 79 | Q | 96.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 106.9 | 175.5 | -77.2 | -178.9 | -8.9 | 0 | 0 | 109.9 | S133 R165 R166 F168 F195 Y197 | Q79-S133 WeakPolarHBondContact CA-O 3.38Å; Q79-R165 HydrophobicContact CB-CB 4.12Å; Q79-R165 PolarHBondContact O-N 3.16Å; Q79-R166 HydrophobicContact CB-CB 4.21Å; Q79-R166 PolarHBondContact N-O 3.45Å; Q79-F168 HydrophobicContact CG-CE1 4.49Å; Q79-F195 PolarHBondContact NE2-O 2.77Å; Q79-Y197 HydrophobicContact CB-CE2 4.41Å; Q79-Y197 WeakPolarHBondContact CB-OH 3.31Å; Q79-Y197 HydrophobicContact CG-CE2 3.89Å |
| 80 | V | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 146 | -166.4 | 62.7 | 0 | 0 | 0 | 0 | 111.8 | V78 I82 F88 S133 L135 C162 K163 V164 | V78-V80 HydrophobicContact CG1-CB 4.11Å; V78-V80 HydrophobicContact CG1-CG1 4.11Å; V80-I82 HydrophobicContact CG2-CG1 4.27Å; V80-F88 HydrophobicContact CG1-CZ 4.46Å; V80-F88 HydrophobicContact CG2-CE2 4.23Å; V80-F88 HydrophobicContact CG2-CZ 4.36Å; V80-S133 PolarHBondContact N-O 2.98Å; V80-S133 PolarHBondContact O-N 2.8Å; V80-L135 HydrophobicContact CG1-CD1 3.74Å; V80-L135 HydrophobicContact CG1-CG 4Å; V80-C162 HydrophobicContact CG2-CB 3.68Å; V80-K163 CarbonylContact C-O 3.59Å; V80-K163 VanDerWaalsContact CA-O 3.31Å; V80-K163 WeakPolarHBondContact CA-O 3.39Å; V80-V164 HydrophobicContact CG2-CG2 4.31Å |
| 81 | N | 95.6 | Very high | 92.8 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 6% | 0.059 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 135.8 | 165.9 | -178 | -34.9 | 0 | 0 | 0 | 108.3 | N130 W132 C162 K163 | N81-N130 WeakPolarHBondContact OD1-CA 3.32Å; N81-W132 HydrophobicContact CB-CD2 3.6Å; N81-W132 HydrophobicContact CB-CE3 3.68Å; N81-W132 HydrophobicContact CB-CG 4.16Å; N81-W132 HydrophobicContact CB-CH2 3.92Å; N81-W132 HydrophobicContact CB-CZ2 3.85Å; N81-W132 HydrophobicContact CB-CZ3 3.84Å; N81-W132 PolarHBondContact ND2-NE1 2.95Å; N81-C162 CarbonylContact O-C 3.59Å; N81-C162 WeakPolarHBondContact O-CA 3.33Å; N81-C162 WeakPolarHBondContact O-CB 3.39Å; N81-K163 PolarHBondContact N-O 3.5Å; N81-K163 PolarHBondContact O-N 2.86Å |
| 82 | I | 92.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125.6 | -171.8 | -66 | 160.6 | 0 | 0 | 0 | 109 | V80 F88 L127 R129 N130 C162 | V80-I82 HydrophobicContact CG2-CG1 4.27Å; I82-F88 HydrophobicContact CB-CB 4.43Å; I82-F88 HydrophobicContact CD1-CB 3.75Å; I82-F88 HydrophobicContact CD1-CD1 3.41Å; I82-F88 VanDerWaalsContact CD1-CD1 3.41Å; I82-F88 HydrophobicContact CD1-CD2 4.43Å; I82-F88 HydrophobicContact CD1-CE1 4.11Å; I82-F88 HydrophobicContact CD1-CG 3.6Å; I82-F88 HydrophobicContact CG1-CB 3.81Å; I82-F88 HydrophobicContact CG1-CD1 4.05Å; I82-F88 HydrophobicContact CG1-CD2 4.17Å; I82-F88 HydrophobicContact CG1-CG 3.73Å; I82-F88 HydrophobicContact CG2-CB 3.74Å; I82-L127 HydrophobicContact CD1-CD1 4.13Å; I82-L127 HydrophobicContact CD1-CD2 3.42Å; I82-L127 VanDerWaalsContact CD1-CD2 3.42Å; I82-L127 HydrophobicContact CD1-CG 3.7Å; I82-R129 CarbonylContact O-C 3.57Å; I82-R129 WeakPolarHBondContact O-CA 3.41Å; I82-N130 PolarHBondContact O-N 2.82Å; I82-C162 HydrophobicContact CG1-CB 4.48Å |
| 83 | S | 88.3 | Confident | 93 | Very high | 29 Ų | 29 | 34 Ų | 34 | 20% | 0.203 | 16% | 0.158 | C | C | . | . | trans | -68.4 | 148.3 | -171.8 | -60 | 0 | 0 | 0 | 0 | 113.5 | R85 H86 | S83-R85 PolarHBondContact O-N 3.12Å; S83-H86 PolarHBondContact O-N 3.08Å | ||
| 84 | E | 79.3 | Confident | 93.1 | Very high | 115 Ų | 115 | 33.8 Ų | 33.8 | 54% | 0.537 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -33.3 | -169.7 | -64.7 | -175.4 | 168.5 | 0 | 0 | 115.6 | R129 N130 | E84-R129 WeakPolarHBondContact O-CD 3.44Å; E84-N130 HydrophobicContact CG-CB 3.58Å; E84-N130 PolarHBondContact OE1-ND2 3.05Å |
| 85 | R | 77.7 | Confident | 93.3 | Very high | 214 Ų | 214 | 31.1 Ų | 31.1 | 81% | 0.808 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | 13.2 | -169.1 | -60.7 | 179.9 | -176.8 | -99.2 | -3.9 | 113.8 | S83 | S83-R85 PolarHBondContact O-N 3.12Š|
| 86 | H | 82.8 | Confident | 93.4 | Very high | 90 Ų | 90 | 31 Ų | 31 | 42% | 0.417 | 15% | 0.148 | S | C | . | . | trans | -133 | 132.7 | -173.1 | -59.2 | -50.4 | 0 | 0 | 0 | 112 | S83 R129 T161 | S83-H86 PolarHBondContact O-N 3.08Å; H86-R129 VanDerWaalsContact C-NH1 3.32Å; H86-R129 PolarHBondContact O-NH1 3.38Å; H86-T161 HydrophobicContact CB-CG2 4.35Å | ||
| 87 | D | 87.6 | Confident | 93.3 | Very high | 65 Ų | 65 | 36.1 Ų | 36.1 | 35% | 0.348 | 18% | 0.175 | S | C | . | . | trans | -71.7 | 152.8 | 173.8 | -69 | -57.6 | 0 | 0 | 0 | 112.3 | T108 V109 R129 | D87-T108 VanDerWaalsContact CA-OG1 3.28Å; D87-T108 WeakPolarHBondContact CA-OG1 3.25Å; D87-T108 WeakPolarHBondContact CB-OG1 3.34Å; D87-T108 PolarHBondContact OD1-OG1 2.94Å; D87-V109 HydrophobicContact CB-CG1 4.15Å; D87-V109 HydrophobicContact CB-CG2 4.5Å; D87-V109 WeakPolarHBondContact OD2-CG1 3.41Å; D87-R129 IonicContact OD1-CZ 2.72Å; D87-R129 IonicContact OD1-NH1 3.65Å; D87-R129 IonicContact OD1-NH2 3.99Å; D87-R129 PolarHBondContact OD1-NH2 3.13Å | ||
| 88 | F | 92.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | trans | -123.8 | 138.8 | -176.3 | 171.9 | -107.8 | 0 | 0 | 0 | 109.8 | V80 I82 S107 T108 F124 L127 L135 L158 C162 | V80-F88 HydrophobicContact CG1-CZ 4.46Å; V80-F88 HydrophobicContact CG2-CE2 4.23Å; V80-F88 HydrophobicContact CG2-CZ 4.36Å; I82-F88 HydrophobicContact CB-CB 4.43Å; I82-F88 HydrophobicContact CD1-CB 3.75Å; I82-F88 HydrophobicContact CD1-CD1 3.41Å; I82-F88 VanDerWaalsContact CD1-CD1 3.41Å; I82-F88 HydrophobicContact CD1-CD2 4.43Å; I82-F88 HydrophobicContact CD1-CE1 4.11Å; I82-F88 HydrophobicContact CD1-CG 3.6Å; I82-F88 HydrophobicContact CG1-CB 3.81Å; I82-F88 HydrophobicContact CG1-CD1 4.05Å; I82-F88 HydrophobicContact CG1-CD2 4.17Å; I82-F88 HydrophobicContact CG1-CG 3.73Å; I82-F88 HydrophobicContact CG2-CB 3.74Å; F88-S107 WeakPolarHBondContact O-CA 3.11Å; F88-T108 HydrophobicContact CB-CG2 4.3Å; F88-T108 PolarHBondContact N-OG1 3.04Å; F88-T108 PolarHBondContact O-N 2.99Å; F88-T108 PolarHBondContact O-OG1 3.22Å; F88-F124 HydrophobicContact CD1-CD2 4.09Å; F88-F124 AromaticContact CD1-CE2 3.47Å; F88-F124 HydrophobicContact CD1-CE2 3.47Å; F88-F124 VanDerWaalsContact CD1-CE2 3.47Å; F88-F124 HydrophobicContact CD1-CZ 4.05Å; F88-F124 AromaticContact CE1-CE2 3.56Å; F88-F124 HydrophobicContact CE1-CE2 3.56Å; F88-F124 AromaticContact CE1-CZ 3.68Å; F88-F124 HydrophobicContact CE1-CZ 3.68Å; F88-L127 HydrophobicContact CD1-CD2 4.26Å; F88-L135 HydrophobicContact CE1-CD1 3.86Å; F88-L135 HydrophobicContact CZ-CD1 4.48Å; F88-L158 HydrophobicContact CZ-CD2 4.37Å; F88-C162 HydrophobicContact CD2-CB 3.83Å; F88-C162 HydrophobicContact CE2-CB 4.06Å | ||
| 89 | S | 95.1 | Very high | 93.2 | Very high | 25 Ų | 25 | 48.1 Ų | 48.1 | 18% | 0.175 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 157.3 | 172.7 | 63.7 | 0 | 0 | 0 | 0 | 112 | F106 F159 | S89-F106 CarbonylContact C-O 3.35Å; S89-F106 WeakPolarHBondContact CA-O 3.34Å; S89-F106 VanDerWaalsContact CB-O 3.28Å; S89-F106 WeakPolarHBondContact CB-O 3.46Å; S89-F159 WeakPolarHBondContact O-CD2 3.25Å; S89-F159 PolarHBondContact O-N 3.12Å; S89-F159 WeakPolarHBondContact OG-CD2 3.42Å |
| 90 | T | 97.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 134.2 | 169.1 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | F106 F124 T157 L158 | T90-F106 HydrophobicContact CG2-CB 3.86Å; T90-F106 HydrophobicContact CG2-CD2 4.25Å; T90-F106 HydrophobicContact CG2-CG 4.38Å; T90-F106 PolarHBondContact N-O 2.76Å; T90-F106 PolarHBondContact O-N 3.11Å; T90-F124 HydrophobicContact CG2-CE2 4.38Å; T90-F124 HydrophobicContact CG2-CZ 3.9Å; T90-T157 CarbonylContact C-O 3.45Å; T90-T157 WeakPolarHBondContact CA-O 3.45Å; T90-T157 WeakPolarHBondContact CB-O 3.49Å; T90-T157 PolarHBondContact OG1-O 2.98Å; T90-L158 WeakPolarHBondContact OG1-CD2 3.44Å |
| 91 | E | 97.7 | Very high | 93.2 | Very high | 43 Ų | 43 | 56.5 Ų | 56.5 | 20% | 0.201 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120.9 | 171.2 | -72.5 | -172.4 | 137.7 | 0 | 0 | 109.3 | R103 L104 C105 I156 T157 F159 | E91-R103 WeakPolarHBondContact OE1-CD 3.07Å; E91-R103 IonicContact OE1-CZ 3.44Å; E91-R103 IonicContact OE1-NE 2.72Å; E91-R103 IonicContact OE1-NH1 3.38Å; E91-R103 PolarHBondContact OE1-NH1 2.82Å; E91-R103 IonicContact OE2-NH1 3.22Å; E91-R103 PolarHBondContact OE2-NH1 3.07Å; E91-L104 WeakPolarHBondContact CA-O 3.38Å; E91-C105 HydrophobicContact CG-CB 4.45Å; E91-I156 CarbonylContact O-C 3.58Å; E91-T157 PolarHBondContact N-O 2.8Å; E91-T157 PolarHBondContact O-N 3.26Å; E91-F159 HydrophobicContact CB-CE2 3.96Å; E91-F159 HydrophobicContact CB-CZ 4.35Å; E91-F159 HydrophobicContact CG-CE2 3.7Å; E91-F159 HydrophobicContact CG-CZ 3.88Å |
| 92 | L | 98.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 141.5 | 167.1 | -48.3 | -175.3 | 0 | 0 | 0 | 109.1 | L76 R103 L104 F106 I137 L139 L153 G155 I156 | L76-L92 HydrophobicContact CD2-CD1 3.66Å; L76-L92 HydrophobicContact CD2-CD2 3.5Å; L76-L92 HydrophobicContact CD2-CG 4.26Å; L92-R103 CarbonylContact O-C 3.5Å; L92-R103 WeakPolarHBondContact O-CA 3.48Å; L92-L104 HydrophobicContact CB-CB 4.27Å; L92-L104 PolarHBondContact N-O 2.98Å; L92-L104 PolarHBondContact O-N 3.2Å; L92-F106 HydrophobicContact CD1-CD2 4.47Å; L92-F106 HydrophobicContact CD1-CE2 3.8Å; L92-F106 HydrophobicContact CG-CD2 4.41Å; L92-F106 HydrophobicContact CG-CE2 4.13Å; L92-I137 HydrophobicContact CD1-CD1 4.12Å; L92-I137 HydrophobicContact CD1-CG2 4.32Å; L92-L139 HydrophobicContact CD1-CD2 3.63Å; L92-L153 HydrophobicContact CB-CD1 4.04Å; L92-G155 WeakPolarHBondContact CA-O 3.42Å; L92-I156 HydrophobicContact CD2-CB 4.43Å; L92-I156 HydrophobicContact CD2-CG1 4.24Å; L92-I156 HydrophobicContact CD2-CG2 4.1Å |
| 93 | V | 98.3 | Very high | 93.6 | Very high | 41 Ų | 41 | 61.9 Ų | 61.9 | 25% | 0.248 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.5 | 167.4 | 179.8 | 0 | 0 | 0 | 0 | 107 | K101 D154 G155 | V93-K101 HydrophobicContact CG1-CB 4.45Å; V93-K101 HydrophobicContact CG1-CD 4.43Å; V93-D154 HydrophobicContact CG1-CB 4.24Å; V93-D154 CarbonylContact O-C 3.56Å; V93-D154 WeakPolarHBondContact O-CA 3.5Å; V93-D154 WeakPolarHBondContact O-CB 3.45Å; V93-D154 PolarHBondContact O-N 2.94Å; V93-G155 PolarHBondContact N-O 3.31Å; V93-G155 PolarHBondContact O-N 3.21Å |
| 94 | I | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 158.3 | 173.9 | 61.4 | 167.3 | 0 | 0 | 0 | 109.8 | K101 R102 L104 A143 F147 F150 T152 L153 | I94-K101 CarbonylContact O-C 3.52Å; I94-K101 VanDerWaalsContact O-CA 3.31Å; I94-K101 WeakPolarHBondContact O-CA 3.41Å; I94-R102 HydrophobicContact CD1-CB 4.4Å; I94-R102 HydrophobicContact CG1-CB 3.98Å; I94-R102 PolarHBondContact N-O 3.25Å; I94-R102 PolarHBondContact O-N 2.72Å; I94-L104 HydrophobicContact CD1-CD1 4.26Å; I94-L104 HydrophobicContact CD1-CD2 4.44Å; I94-L104 HydrophobicContact CD1-CG 4.38Å; I94-L104 HydrophobicContact CG2-CD1 4.35Å; I94-A143 HydrophobicContact CD1-CB 3.62Å; I94-F147 HydrophobicContact CD1-CD2 4.46Å; I94-F150 HydrophobicContact CB-CD2 4.37Å; I94-F150 HydrophobicContact CB-CE2 4.42Å; I94-F150 HydrophobicContact CG2-CD2 4.21Å; I94-F150 HydrophobicContact CG2-CE2 3.98Å; I94-T152 CarbonylContact C-O 3.54Å; I94-T152 VanDerWaalsContact CA-O 3.25Å; I94-T152 WeakPolarHBondContact CA-O 3.48Å; I94-L153 HydrophobicContact CG2-CD1 4.03Å |
| 95 | T | 97.9 | Very high | 94.9 | Very high | 11 Ų | 11 | 56 Ų | 56 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 137 | 162.6 | -57.4 | 0 | 0 | 0 | 0 | 107.7 | L100 L151 T152 D154 | T95-L100 WeakPolarHBondContact CA-O 3.41Å; T95-L151 HydrophobicContact CG2-CD2 4.19Å; T95-L151 WeakPolarHBondContact O-CB 3.37Å; T95-L151 PolarHBondContact O-N 3.13Å; T95-T152 PolarHBondContact N-O 3.04Å; T95-T152 PolarHBondContact O-N 3.48Å; T95-D154 PolarHBondContact OG1-OD2 2.9Å |
| 96 | D | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -177.6 | 178.6 | 70.5 | 7.3 | 0 | 0 | 0 | 113.3 | Q98 H99 L100 R102 G149 L151 | D96-Q98 PolarHBondContact O-N 3.22Å; D96-Q98 WeakPolarHBondContact OD1-CA 3.37Å; D96-Q98 WeakPolarHBondContact OD1-CB 3.47Å; D96-Q98 PolarHBondContact OD1-N 3Å; D96-H99 WeakPolarHBondContact O-CA 3.3Å; D96-H99 PolarHBondContact O-N 3.38Å; D96-H99 PolarHBondContact OD1-N 2.89Å; D96-L100 PolarHBondContact N-O 3.04Å; D96-L100 VanDerWaalsContact N-O 3.12Å; D96-L100 PolarHBondContact OD1-N 2.85Å; D96-R102 IonicContact OD2-CZ 2.66Å; D96-R102 IonicContact OD2-NE 2.75Å; D96-R102 PolarHBondContact OD2-NE 2.88Å; D96-R102 IonicContact OD2-NH2 2.65Å; D96-R102 PolarHBondContact OD2-NH2 2.84Å; D96-G149 WeakPolarHBondContact CA-O 3.47Å; D96-G149 WeakPolarHBondContact CB-O 3.4Å; D96-L151 WeakPolarHBondContact O-CB 3.31Å |
| 97 | L | 96.3 | Very high | 96.3 | Very high | 107 Ų | 107 | 42 Ų | 42 | 56% | 0.56 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -8.6 | 178.3 | -53.6 | 176.5 | 0 | 0 | 0 | 113.9 | H99 K148 F150 L151 | L97-H99 VanDerWaalsContact C-N 3.26Å; L97-K148 WeakPolarHBondContact CB-O 3.38Å; L97-K148 WeakPolarHBondContact CD1-O 3.12Å; L97-K148 WeakPolarHBondContact CG-O 3.25Å; L97-K148 PolarHBondContact N-O 2.86Å; L97-F150 WeakPolarHBondContact CD2-O 3.32Å; L97-L151 HydrophobicContact CD2-CB 4.27Å; L97-L151 HydrophobicContact CD2-CD1 4.16Å |
| 98 | Q | 96.5 | Very high | 96.6 | Very high | 109 Ų | 109 | 40.3 Ų | 40.3 | 51% | 0.509 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 5.8 | 166.8 | -64.1 | -171.3 | -43.1 | 0 | 0 | 112.2 | D96 L100 K148 | D96-Q98 PolarHBondContact O-N 3.22Å; D96-Q98 WeakPolarHBondContact OD1-CA 3.37Å; D96-Q98 WeakPolarHBondContact OD1-CB 3.47Å; D96-Q98 PolarHBondContact OD1-N 3Å; Q98-L100 HydrophobicContact CB-CD1 4.07Å; Q98-L100 HydrophobicContact CB-CG 4.13Å; Q98-L100 PolarHBondContact O-N 3.45Å; Q98-K148 HydrophobicContact CG-CB 4.03Å; Q98-K148 HydrophobicContact CG-CG 4Å |
| 99 | H | 96.3 | Very high | 96.4 | Very high | 144 Ų | 144 | 44.9 Ų | 44.9 | 67% | 0.667 | 23% | 0.225 | S | C | * | . | S | Bend | trans | 58.5 | 20.4 | -170.5 | -57.5 | -64.3 | 0 | 0 | 0 | 114.1 | D96 L97 L151 | D96-H99 WeakPolarHBondContact O-CA 3.3Å; D96-H99 PolarHBondContact O-N 3.38Å; D96-H99 PolarHBondContact OD1-N 2.89Å; L97-H99 VanDerWaalsContact C-N 3.26Å; H99-L151 VanDerWaalsContact CE1-CD2 3.45Å; H99-L151 WeakPolarHBondContact CE1-CD2 3.33Å; H99-L151 WeakPolarHBondContact ND1-CD2 3.31Å |
| 100 | L | 96.5 | Very high | 96.2 | Very high | 77 Ų | 77 | 46.5 Ų | 46.5 | 40% | 0.403 | 23% | 0.23 | S | C | . | . | trans | -92.5 | 134 | 179.2 | -68.8 | 174.5 | 0 | 0 | 0 | 110.4 | T95 D96 Q98 R102 | T95-L100 WeakPolarHBondContact CA-O 3.41Å; D96-L100 PolarHBondContact N-O 3.04Å; D96-L100 VanDerWaalsContact N-O 3.12Å; D96-L100 PolarHBondContact OD1-N 2.85Å; Q98-L100 HydrophobicContact CB-CD1 4.07Å; Q98-L100 HydrophobicContact CB-CG 4.13Å; Q98-L100 PolarHBondContact O-N 3.45Å; L100-R102 PolarHBondContact O-N 2.83Å | ||
| 101 | K | 96.7 | Very high | 95.7 | Very high | 101 Ų | 101 | 55.2 Ų | 55.2 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 120.6 | 177.5 | -71.9 | -170.4 | 173.9 | -156.7 | 0 | 110.4 | V93 I94 D154 | V93-K101 HydrophobicContact CG1-CB 4.45Å; V93-K101 HydrophobicContact CG1-CD 4.43Å; I94-K101 CarbonylContact O-C 3.52Å; I94-K101 VanDerWaalsContact O-CA 3.31Å; I94-K101 WeakPolarHBondContact O-CA 3.41Å; K101-D154 WeakPolarHBondContact CE-OD2 3.37Å; K101-D154 IonicContact NZ-OD2 2.75Å; K101-D154 PolarHBondContact NZ-OD2 2.99Å |
| 102 | R | 97.7 | Very high | 95.3 | Very high | 14 Ų | 14 | 59.9 Ų | 59.9 | 5% | 0.053 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 144.9 | 177.7 | -41.5 | -66.1 | -172.8 | 177.5 | -0 | 109.2 | I94 D96 L100 L117 L118 F147 | I94-R102 HydrophobicContact CD1-CB 4.4Å; I94-R102 HydrophobicContact CG1-CB 3.98Å; I94-R102 PolarHBondContact N-O 3.25Å; I94-R102 PolarHBondContact O-N 2.72Å; D96-R102 IonicContact OD2-CZ 2.66Å; D96-R102 IonicContact OD2-NE 2.75Å; D96-R102 PolarHBondContact OD2-NE 2.88Å; D96-R102 IonicContact OD2-NH2 2.65Å; D96-R102 PolarHBondContact OD2-NH2 2.84Å; L100-R102 PolarHBondContact O-N 2.83Å; R102-L117 WeakPolarHBondContact CD-O 3.3Å; R102-L117 PolarHBondContact NH1-O 3.35Å; R102-L118 WeakPolarHBondContact CA-O 3.41Å; R102-F147 HydrophobicContact CB-CD1 4.21Å; R102-F147 HydrophobicContact CB-CD2 3.92Å; R102-F147 HydrophobicContact CB-CE1 4Å; R102-F147 HydrophobicContact CB-CE2 3.71Å; R102-F147 HydrophobicContact CB-CG 4.18Å; R102-F147 HydrophobicContact CB-CZ 3.76Å; R102-F147 HydrophobicContact CG-CB 4.22Å; R102-F147 HydrophobicContact CG-CD1 3.71Å; R102-F147 HydrophobicContact CG-CD2 3.86Å; R102-F147 HydrophobicContact CG-CE1 3.98Å; R102-F147 HydrophobicContact CG-CE2 4.14Å; R102-F147 HydrophobicContact CG-CG 3.65Å; R102-F147 HydrophobicContact CG-CZ 4.21Å |
| 103 | R | 97.9 | Very high | 94.9 | Very high | 113 Ų | 113 | 61.3 Ų | 61.3 | 43% | 0.426 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.5 | 175.8 | -164.3 | -172.2 | -58 | -164.6 | 5.7 | 111.1 | E91 L92 C105 L118 H119 A120 | E91-R103 WeakPolarHBondContact OE1-CD 3.07Å; E91-R103 IonicContact OE1-CZ 3.44Å; E91-R103 IonicContact OE1-NE 2.72Å; E91-R103 IonicContact OE1-NH1 3.38Å; E91-R103 PolarHBondContact OE1-NH1 2.82Å; E91-R103 IonicContact OE2-NH1 3.22Å; E91-R103 PolarHBondContact OE2-NH1 3.07Å; L92-R103 CarbonylContact O-C 3.5Å; L92-R103 WeakPolarHBondContact O-CA 3.48Å; R103-C105 WeakPolarHBondContact CD-SG 3.24Å; R103-L118 PolarHBondContact N-O 3.05Å; R103-H119 HydrophobicContact CB-CB 4.02Å; R103-H119 CarbonylContact O-C 3.56Å; R103-H119 VanDerWaalsContact O-CA 3.27Å; R103-H119 WeakPolarHBondContact O-CA 2.93Å; R103-A120 PolarHBondContact O-N 2.76Å |
| 104 | L | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 112.5 | 170.6 | -51.5 | 178.8 | 0 | 0 | 0 | 108.5 | E91 L92 I94 F106 A120 I122 F142 L146 F147 | E91-L104 WeakPolarHBondContact CA-O 3.38Å; L92-L104 HydrophobicContact CB-CB 4.27Å; L92-L104 PolarHBondContact N-O 2.98Å; L92-L104 PolarHBondContact O-N 3.2Å; I94-L104 HydrophobicContact CD1-CD1 4.26Å; I94-L104 HydrophobicContact CD1-CD2 4.44Å; I94-L104 HydrophobicContact CD1-CG 4.38Å; I94-L104 HydrophobicContact CG2-CD1 4.35Å; L104-F106 HydrophobicContact CB-CD2 4.2Å; L104-F106 HydrophobicContact CB-CE2 3.58Å; L104-F106 HydrophobicContact CB-CZ 4.3Å; L104-F106 HydrophobicContact CD1-CE2 4.11Å; L104-F106 HydrophobicContact CD1-CZ 4.28Å; L104-F106 HydrophobicContact CG-CE2 4.49Å; L104-A120 HydrophobicContact CD2-CB 4.22Å; L104-I122 HydrophobicContact CB-CD1 4.17Å; L104-I122 HydrophobicContact CD2-CD1 4.23Å; L104-F142 HydrophobicContact CD1-CB 4.16Å; L104-L146 HydrophobicContact CD2-CD1 4.04Å; L104-F147 HydrophobicContact CD2-CE2 3.8Å |
| 105 | C | 97.1 | Very high | 94.5 | Very high | 21 Ų | 21 | 65 Ų | 65 | 14% | 0.142 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 95.1 | 179 | -56.5 | 0 | 0 | 0 | 0 | 109.5 | E91 R103 A120 I122 | E91-C105 HydrophobicContact CG-CB 4.45Å; R103-C105 WeakPolarHBondContact CD-SG 3.24Å; C105-A120 PolarHBondContact N-O 3.48Å; C105-I122 PolarHBondContact O-N 3.05Å |
| 106 | F | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 134.5 | 174.6 | -59.7 | -99.9 | 0 | 0 | 0 | 110 | S89 T90 L92 L104 I122 F124 I137 F142 | S89-F106 CarbonylContact C-O 3.35Å; S89-F106 WeakPolarHBondContact CA-O 3.34Å; S89-F106 VanDerWaalsContact CB-O 3.28Å; S89-F106 WeakPolarHBondContact CB-O 3.46Å; T90-F106 HydrophobicContact CG2-CB 3.86Å; T90-F106 HydrophobicContact CG2-CD2 4.25Å; T90-F106 HydrophobicContact CG2-CG 4.38Å; T90-F106 PolarHBondContact N-O 2.76Å; T90-F106 PolarHBondContact O-N 3.11Å; L92-F106 HydrophobicContact CD1-CD2 4.47Å; L92-F106 HydrophobicContact CD1-CE2 3.8Å; L92-F106 HydrophobicContact CG-CD2 4.41Å; L92-F106 HydrophobicContact CG-CE2 4.13Å; L104-F106 HydrophobicContact CB-CD2 4.2Å; L104-F106 HydrophobicContact CB-CE2 3.58Å; L104-F106 HydrophobicContact CB-CZ 4.3Å; L104-F106 HydrophobicContact CD1-CE2 4.11Å; L104-F106 HydrophobicContact CD1-CZ 4.28Å; L104-F106 HydrophobicContact CG-CE2 4.49Å; F106-I122 CarbonylContact C-O 3.51Å; F106-I122 VanDerWaalsContact CA-O 3.32Å; F106-I122 WeakPolarHBondContact CA-O 3.31Å; F106-I122 HydrophobicContact CD1-CB 3.82Å; F106-I122 HydrophobicContact CD1-CD1 4.16Å; F106-I122 HydrophobicContact CD1-CG2 3.56Å; F106-I122 HydrophobicContact CE1-CB 4.16Å; F106-I122 HydrophobicContact CE1-CD1 3.7Å; F106-I122 HydrophobicContact CE1-CG2 3.71Å; F106-I122 HydrophobicContact CE2-CD1 4.11Å; F106-I122 HydrophobicContact CG-CB 4.25Å; F106-I122 HydrophobicContact CG-CG2 4.45Å; F106-I122 HydrophobicContact CZ-CD1 3.66Å; F106-F124 HydrophobicContact CB-CD2 4.33Å; F106-F124 HydrophobicContact CB-CE1 3.94Å; F106-F124 HydrophobicContact CB-CE2 3.68Å; F106-F124 HydrophobicContact CB-CZ 3.46Å; F106-F124 VanDerWaalsContact CB-CZ 3.46Å; F106-F124 HydrophobicContact CD1-CE1 4.35Å; F106-F124 HydrophobicContact CG-CE1 4.48Å; F106-F124 HydrophobicContact CG-CZ 4.33Å; F106-I137 HydrophobicContact CE1-CG2 4.19Å; F106-I137 HydrophobicContact CE2-CD1 4.3Å; F106-I137 HydrophobicContact CE2-CG2 4.2Å; F106-I137 HydrophobicContact CZ-CD1 4.37Å; F106-I137 HydrophobicContact CZ-CG2 3.58Å; F106-F142 HydrophobicContact CE1-CD2 4.2Å; F106-F142 HydrophobicContact CE1-CE1 4.48Å; F106-F142 AromaticContact CE1-CE2 3.65Å; F106-F142 HydrophobicContact CE1-CE2 3.65Å; F106-F142 AromaticContact CE1-CZ 3.83Å; F106-F142 HydrophobicContact CE1-CZ 3.83Å; F106-F142 AromaticContact CZ-CD2 3.93Å; F106-F142 HydrophobicContact CZ-CD2 3.93Å; F106-F142 AromaticContact CZ-CE2 3.86Å; F106-F142 HydrophobicContact CZ-CE2 3.86Å; F106-F142 HydrophobicContact CZ-CG 4.48Å; F106-F142 HydrophobicContact CZ-CZ 4.36Å |
| 107 | S | 94.4 | Very high | 94.3 | Very high | 8 Ų | 8 | 74.5 Ų | 74.5 | 6% | 0.056 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 145.2 | -173.3 | -171.4 | 0 | 0 | 0 | 0 | 114.3 | F88 V109 H110 I122 F124 | F88-S107 WeakPolarHBondContact O-CA 3.11Å; S107-V109 VanDerWaalsContact OG-CG2 3.24Å; S107-V109 WeakPolarHBondContact OG-CG2 3.42Å; S107-H110 VanDerWaalsContact CB-CD2 3.44Å; S107-H110 WeakPolarHBondContact CB-CD2 3.38Å; S107-I122 PolarHBondContact N-O 3.3Å; S107-F124 PolarHBondContact O-N 3.09Å |
| 108 | T | 92.1 | Very high | 94.3 | Very high | 31 Ų | 31 | 74.7 Ų | 74.7 | 19% | 0.19 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -15.3 | 176.6 | 59.2 | 0 | 0 | 0 | 0 | 114.3 | D87 F88 H110 F124 L127 | D87-T108 VanDerWaalsContact CA-OG1 3.28Å; D87-T108 WeakPolarHBondContact CA-OG1 3.25Å; D87-T108 WeakPolarHBondContact CB-OG1 3.34Å; D87-T108 PolarHBondContact OD1-OG1 2.94Å; F88-T108 HydrophobicContact CB-CG2 4.3Å; F88-T108 PolarHBondContact N-OG1 3.04Å; F88-T108 PolarHBondContact O-N 2.99Å; F88-T108 PolarHBondContact O-OG1 3.22Å; T108-H110 VanDerWaalsContact C-N 3.35Å; T108-F124 HydrophobicContact CG2-CB 3.95Å; T108-F124 HydrophobicContact CG2-CD2 3.96Å; T108-F124 HydrophobicContact CG2-CG 4.39Å; T108-L127 HydrophobicContact CG2-CD2 4.24Å |
| 109 | V | 89.6 | Confident | 94.3 | Very high | 97 Ų | 97 | 72.7 Ų | 72.7 | 59% | 0.588 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -5.4 | 173.8 | -93.3 | 0 | 0 | 0 | 0 | 113.6 | D87 S107 | D87-V109 HydrophobicContact CB-CG1 4.15Å; D87-V109 HydrophobicContact CB-CG2 4.5Å; D87-V109 WeakPolarHBondContact OD2-CG1 3.41Å; S107-V109 VanDerWaalsContact OG-CG2 3.24Å; S107-V109 WeakPolarHBondContact OG-CG2 3.42Å |
| 110 | H | 89.4 | Confident | 94.3 | Very high | 58 Ų | 58 | 65.8 Ų | 65.8 | 27% | 0.269 | 34% | 0.34 | S | S | . | . | trans | -88.9 | 136 | 175.4 | -69.7 | -146 | 0 | 0 | 0 | 108.7 | S107 T108 P123 | S107-H110 VanDerWaalsContact CB-CD2 3.44Å; S107-H110 WeakPolarHBondContact CB-CD2 3.38Å; T108-H110 VanDerWaalsContact C-N 3.35Å; H110-P123 HydrophobicContact CB-CB 4.18Å; H110-P123 VanDerWaalsContact O-CB 3.22Å; H110-P123 WeakPolarHBondContact O-CB 3.33Å | ||
| 111 | K | 88.6 | Confident | 94.3 | Very high | 185 Ų | 185 | 66.3 Ų | 66.3 | 80% | 0.804 | 34% | 0.339 | S | S | * | . | trans | -97.6 | -59.3 | 176.8 | -63.3 | -177.9 | 179.6 | -178.6 | 0 | 110.9 | P123 | K111-P123 WeakPolarHBondContact O-CB 3.24Å; K111-P123 WeakPolarHBondContact O-CG 3.38Å | ||
| 112 | E | 88.3 | Confident | 94.3 | Very high | 141 Ų | 141 | 61.5 Ų | 61.5 | 66% | 0.659 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -94.1 | 159.3 | 178.7 | -64.9 | 128.7 | -120.4 | 0 | 0 | 112.3 | ||
| 113 | M | 90.3 | Very high | 94.1 | Very high | 29 Ų | 29 | 61.2 Ų | 61.2 | 14% | 0.143 | 32% | 0.318 | C | S | . | . | trans | -82.2 | 139.2 | 169 | -164 | 178.9 | -163.9 | 0 | 0 | 111.1 | I122 F142 L146 Y210 L213 E217 | M113-I122 HydrophobicContact CE-CD1 4.23Å; M113-I122 HydrophobicContact CE-CG1 3.92Å; M113-F142 HydrophobicContact CE-CD1 4.22Å; M113-F142 HydrophobicContact CE-CE1 4.1Å; M113-L146 HydrophobicContact CE-CD1 3.69Å; M113-L146 HydrophobicContact CE-CD2 3.56Å; M113-L146 HydrophobicContact CE-CG 4Å; M113-L146 HydrophobicContact SD-CD2 4.47Å; M113-Y210 HydrophobicContact CE-CD2 3.92Å; M113-Y210 HydrophobicContact CE-CE2 3.86Å; M113-Y210 HydrophobicContact SD-CD2 4.19Å; M113-Y210 HydrophobicContact SD-CE2 3.78Å; M113-L213 HydrophobicContact CE-CD2 3.87Å; M113-L213 HydrophobicContact CG-CD2 4.28Å; M113-L213 HydrophobicContact SD-CD2 3.57Å; M113-L213 VanDerWaalsContact SD-CD2 3.57Å; M113-L213 HydrophobicContact SD-CG 4.42Å; M113-E217 PolarHBondContact N-OE1 2.86Å; M113-E217 VanDerWaalsContact N-OE1 3.13Å | ||
| 114 | S | 92.9 | Very high | 93.7 | Very high | 58 Ų | 58 | 56.8 Ų | 56.8 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 139.5 | 171.9 | 42.9 | 0 | 0 | 0 | 0 | 112.4 | A120 K121 | S114-A120 CarbonylContact O-C 3.53Å; S114-A120 WeakPolarHBondContact O-CA 3.25Å; S114-K121 PolarHBondContact N-O 3Å; S114-K121 PolarHBondContact O-N 2.86Å; S114-K121 WeakPolarHBondContact OG-CB 3.14Å |
| 115 | A | 95.2 | Very high | 92.8 | Very high | 60 Ų | 60 | 59.7 Ų | 59.7 | 50% | 0.496 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A120 L146 | A115-A120 HydrophobicContact CB-CB 4.31Å; A115-L146 HydrophobicContact CB-CD2 3.74Å |
| 116 | T | 95.8 | Very high | 91.7 | Very high | 67 Ų | 67 | 67.2 Ų | 67.2 | 41% | 0.411 | 35% | 0.352 | S | S | . | . | trans | -123.9 | 171.1 | 168.1 | 67.8 | 0 | 0 | 0 | 0 | 108.2 | L118 H119 F147 | T116-L118 PolarHBondContact O-N 2.69Å; T116-L118 PolarHBondContact OG1-N 3.31Å; T116-H119 PolarHBondContact N-O 3.21Å; T116-H119 PolarHBondContact OG1-CE1 2.65Å; T116-H119 VanDerWaalsContact OG1-CE1 3.31Å; T116-H119 PolarHBondContact OG1-N 3.23Å; T116-H119 VanDerWaalsContact OG1-N 3.13Å; T116-H119 PolarHBondContact OG1-ND1 3.48Å; T116-H119 PolarHBondContact OG1-O 2.75Å; T116-F147 WeakPolarHBondContact O-CE1 3.07Å | ||
| 117 | L | 94.4 | Very high | 91.2 | Very high | 145 Ų | 145 | 68.1 Ų | 68.1 | 76% | 0.759 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -53.6 | -29.1 | 177.2 | -62.9 | 177.2 | 0 | 0 | 0 | 114.3 | R102 | R102-L117 WeakPolarHBondContact CD-O 3.3Å; R102-L117 PolarHBondContact NH1-O 3.35Å |
| 118 | L | 96.1 | Very high | 90.9 | Very high | 111 Ų | 111 | 73.7 Ų | 73.7 | 58% | 0.581 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -114.2 | -17 | -174 | -63.6 | 179.1 | 0 | 0 | 0 | 114.7 | R102 R103 T116 | R102-L118 WeakPolarHBondContact CA-O 3.41Å; R103-L118 PolarHBondContact N-O 3.05Å; T116-L118 PolarHBondContact O-N 2.69Å; T116-L118 PolarHBondContact OG1-N 3.31Å |
| 119 | H | 96.3 | Very high | 90.8 | Very high | 66 Ų | 66 | 76.8 Ų | 76.8 | 31% | 0.306 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 145.9 | 178.7 | 75.6 | -82.6 | 0 | 0 | 0 | 112.6 | R103 T116 | R103-H119 HydrophobicContact CB-CB 4.02Å; R103-H119 CarbonylContact O-C 3.56Å; R103-H119 VanDerWaalsContact O-CA 3.27Å; R103-H119 WeakPolarHBondContact O-CA 2.93Å; T116-H119 PolarHBondContact N-O 3.21Å; T116-H119 PolarHBondContact OG1-CE1 2.65Å; T116-H119 VanDerWaalsContact OG1-CE1 3.31Å; T116-H119 PolarHBondContact OG1-N 3.23Å; T116-H119 VanDerWaalsContact OG1-N 3.13Å; T116-H119 PolarHBondContact OG1-ND1 3.48Å; T116-H119 PolarHBondContact OG1-O 2.75Å |
| 120 | A | 97.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 141.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | R103 L104 C105 S114 A115 I122 L146 F147 | R103-A120 PolarHBondContact O-N 2.76Å; L104-A120 HydrophobicContact CD2-CB 4.22Å; C105-A120 PolarHBondContact N-O 3.48Å; S114-A120 CarbonylContact O-C 3.53Å; S114-A120 WeakPolarHBondContact O-CA 3.25Å; A115-A120 HydrophobicContact CB-CB 4.31Å; A120-I122 HydrophobicContact CB-CG1 4.39Å; A120-L146 HydrophobicContact CB-CD1 3.64Å; A120-L146 HydrophobicContact CB-CD2 4.25Å; A120-L146 HydrophobicContact CB-CG 4.48Å; A120-F147 HydrophobicContact CB-CE2 4.37Å; A120-F147 HydrophobicContact CB-CZ 4.08Å |
| 121 | K | 96.6 | Very high | 91.1 | Very high | 88 Ų | 88 | 74.6 Ų | 74.6 | 38% | 0.383 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 121.3 | 177.7 | -71.2 | -178.9 | -179.9 | 175.6 | 0 | 107 | S114 | S114-K121 PolarHBondContact N-O 3Å; S114-K121 PolarHBondContact O-N 2.86Å; S114-K121 WeakPolarHBondContact OG-CB 3.14Å |
| 122 | I | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 121.5 | -166.1 | -53.6 | 179.8 | 0 | 0 | 0 | 109.2 | L104 C105 F106 S107 M113 A120 F142 L146 L213 | L104-I122 HydrophobicContact CB-CD1 4.17Å; L104-I122 HydrophobicContact CD2-CD1 4.23Å; C105-I122 PolarHBondContact O-N 3.05Å; F106-I122 CarbonylContact C-O 3.51Å; F106-I122 VanDerWaalsContact CA-O 3.32Å; F106-I122 WeakPolarHBondContact CA-O 3.31Å; F106-I122 HydrophobicContact CD1-CB 3.82Å; F106-I122 HydrophobicContact CD1-CD1 4.16Å; F106-I122 HydrophobicContact CD1-CG2 3.56Å; F106-I122 HydrophobicContact CE1-CB 4.16Å; F106-I122 HydrophobicContact CE1-CD1 3.7Å; F106-I122 HydrophobicContact CE1-CG2 3.71Å; F106-I122 HydrophobicContact CE2-CD1 4.11Å; F106-I122 HydrophobicContact CG-CB 4.25Å; F106-I122 HydrophobicContact CG-CG2 4.45Å; F106-I122 HydrophobicContact CZ-CD1 3.66Å; S107-I122 PolarHBondContact N-O 3.3Å; M113-I122 HydrophobicContact CE-CD1 4.23Å; M113-I122 HydrophobicContact CE-CG1 3.92Å; A120-I122 HydrophobicContact CB-CG1 4.39Å; I122-F142 HydrophobicContact CD1-CD1 3.89Å; I122-F142 HydrophobicContact CD1-CE1 3.96Å; I122-F142 HydrophobicContact CD1-CG 4.42Å; I122-F142 HydrophobicContact CG2-CE1 4.15Å; I122-F142 HydrophobicContact CG2-CZ 4.27Å; I122-L146 HydrophobicContact CD1-CD1 4.36Å; I122-L213 HydrophobicContact CG2-CD2 3.66Å |
| 123 | P | 93.8 | Very high | 91.7 | Very high | 8 Ų | 8 | 59.1 Ų | 59.1 | 5% | 0.052 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 143.8 | 176.3 | 31.1 | -34.3 | 0 | 0 | 0 | 111.4 | H110 K111 T125 L213 | H110-P123 HydrophobicContact CB-CB 4.18Å; H110-P123 VanDerWaalsContact O-CB 3.22Å; H110-P123 WeakPolarHBondContact O-CB 3.33Å; K111-P123 WeakPolarHBondContact O-CB 3.24Å; K111-P123 WeakPolarHBondContact O-CG 3.38Å; P123-T125 PolarHBondContact O-N 2.7Å; P123-L213 HydrophobicContact CG-CD1 4.17Å |
| 124 | F | 90.1 | Very high | 91.9 | Very high | 19 Ų | 19 | 57.8 Ų | 57.8 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | trans | -86.6 | 101.9 | 166.7 | -84.4 | -56.4 | 0 | 0 | 0 | 110.1 | F88 T90 F106 S107 T108 L127 L135 L208 | F88-F124 HydrophobicContact CD1-CD2 4.09Å; F88-F124 AromaticContact CD1-CE2 3.47Å; F88-F124 HydrophobicContact CD1-CE2 3.47Å; F88-F124 VanDerWaalsContact CD1-CE2 3.47Å; F88-F124 HydrophobicContact CD1-CZ 4.05Å; F88-F124 AromaticContact CE1-CE2 3.56Å; F88-F124 HydrophobicContact CE1-CE2 3.56Å; F88-F124 AromaticContact CE1-CZ 3.68Å; F88-F124 HydrophobicContact CE1-CZ 3.68Å; T90-F124 HydrophobicContact CG2-CE2 4.38Å; T90-F124 HydrophobicContact CG2-CZ 3.9Å; F106-F124 HydrophobicContact CB-CD2 4.33Å; F106-F124 HydrophobicContact CB-CE1 3.94Å; F106-F124 HydrophobicContact CB-CE2 3.68Å; F106-F124 HydrophobicContact CB-CZ 3.46Å; F106-F124 VanDerWaalsContact CB-CZ 3.46Å; F106-F124 HydrophobicContact CD1-CE1 4.35Å; F106-F124 HydrophobicContact CG-CE1 4.48Å; F106-F124 HydrophobicContact CG-CZ 4.33Å; S107-F124 PolarHBondContact O-N 3.09Å; T108-F124 HydrophobicContact CG2-CB 3.95Å; T108-F124 HydrophobicContact CG2-CD2 3.96Å; T108-F124 HydrophobicContact CG2-CG 4.39Å; F124-L127 HydrophobicContact CB-CB 4.14Å; F124-L127 HydrophobicContact CB-CD2 3.87Å; F124-L127 HydrophobicContact CD1-CD2 3.78Å; F124-L127 HydrophobicContact CD2-CD2 3.9Å; F124-L127 HydrophobicContact CE1-CD2 4.23Å; F124-L127 HydrophobicContact CE2-CD2 4.35Å; F124-L127 HydrophobicContact CG-CD2 3.61Å; F124-L127 HydrophobicContact CZ-CD2 4.49Å; F124-L135 HydrophobicContact CE1-CD1 4.04Å; F124-L135 HydrophobicContact CZ-CD1 4.03Å; F124-L208 HydrophobicContact CD1-CD1 4.09Å; F124-L208 HydrophobicContact CD1-CD2 4.49Å; F124-L208 HydrophobicContact CE1-CD1 3.68Å | ||
| 125 | T | 78.1 | Confident | 91.9 | Very high | 62 Ų | 62 | 55.1 Ų | 55.1 | 38% | 0.38 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 132.9 | 175.9 | 47.3 | 0 | 0 | 0 | 0 | 112.1 | P123 L127 L213 A216 | P123-T125 PolarHBondContact O-N 2.7Å; T125-L127 PolarHBondContact O-N 2.76Å; T125-L213 HydrophobicContact CG2-CD1 4.03Å; T125-A216 HydrophobicContact CG2-CB 4.32Å |
| 126 | E | 73.8 | Confident | 91.9 | Very high | 179 Ų | 179 | 52.5 Ų | 52.5 | 84% | 0.836 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 22.2 | 171.4 | -58.2 | -172.9 | -178.1 | 0 | 0 | 117.1 | K128 H206 | E126-K128 PolarHBondContact O-N 3.01Å; E126-K128 VanDerWaalsContact O-N 3.11Å; E126-H206 PolarHBondContact O-CE1 3.25Å |
| 127 | L | 86.1 | Confident | 91.9 | Very high | 19 Ų | 19 | 49.3 Ų | 49.3 | 10% | 0.099 | 24% | 0.24 | C | C | . | . | trans | -69.5 | 108.4 | -174.8 | -176.3 | 48.6 | 0 | 0 | 0 | 112 | I82 F88 T108 F124 T125 L135 | I82-L127 HydrophobicContact CD1-CD1 4.13Å; I82-L127 HydrophobicContact CD1-CD2 3.42Å; I82-L127 VanDerWaalsContact CD1-CD2 3.42Å; I82-L127 HydrophobicContact CD1-CG 3.7Å; F88-L127 HydrophobicContact CD1-CD2 4.26Å; T108-L127 HydrophobicContact CG2-CD2 4.24Å; F124-L127 HydrophobicContact CB-CB 4.14Å; F124-L127 HydrophobicContact CB-CD2 3.87Å; F124-L127 HydrophobicContact CD1-CD2 3.78Å; F124-L127 HydrophobicContact CD2-CD2 3.9Å; F124-L127 HydrophobicContact CE1-CD2 4.23Å; F124-L127 HydrophobicContact CE2-CD2 4.35Å; F124-L127 HydrophobicContact CG-CD2 3.61Å; F124-L127 HydrophobicContact CZ-CD2 4.49Å; T125-L127 PolarHBondContact O-N 2.76Å; L127-L135 HydrophobicContact CD1-CD2 3.77Å; L127-L135 HydrophobicContact CD2-CD2 4.33Å | ||
| 128 | K | 87.5 | Confident | 91.9 | Very high | 125 Ų | 125 | 42.5 Ų | 42.5 | 54% | 0.543 | 20% | 0.204 | S | C | . | . | trans | -71 | 139.7 | -175.4 | -58.2 | -155.3 | -163.6 | 173.2 | 0 | 112.1 | E126 I204 | E126-K128 PolarHBondContact O-N 3.01Å; E126-K128 VanDerWaalsContact O-N 3.11Å; K128-I204 HydrophobicContact CB-CD1 4.02Å; K128-I204 HydrophobicContact CD-CD1 3.45Å; K128-I204 VanDerWaalsContact CD-CD1 3.45Å; K128-I204 HydrophobicContact CG-CD1 3.79Å | ||
| 129 | R | 90.8 | Very high | 91.9 | Very high | 96 Ų | 96 | 37.2 Ų | 37.2 | 36% | 0.362 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -92.1 | 152.6 | 178.4 | -55.9 | 174.3 | -179.4 | -95 | 4.3 | 110.1 | I82 E84 H86 D87 T131 | I82-R129 CarbonylContact O-C 3.57Å; I82-R129 WeakPolarHBondContact O-CA 3.41Å; E84-R129 WeakPolarHBondContact O-CD 3.44Å; H86-R129 VanDerWaalsContact C-NH1 3.32Å; H86-R129 PolarHBondContact O-NH1 3.38Å; D87-R129 IonicContact OD1-CZ 2.72Å; D87-R129 IonicContact OD1-NH1 3.65Å; D87-R129 IonicContact OD1-NH2 3.99Å; D87-R129 PolarHBondContact OD1-NH2 3.13Å; R129-T131 PolarHBondContact O-N 2.97Å; R129-T131 PolarHBondContact O-OG1 2.85Å |
| 130 | N | 90.9 | Very high | 91.8 | Very high | 87 Ų | 87 | 36.5 Ų | 36.5 | 47% | 0.465 | 17% | 0.173 | S | C | . | . | S | Bend | trans | 49.9 | 38.6 | -176.7 | -158.4 | 13.9 | 0 | 0 | 0 | 114.1 | N81 I82 E84 | N81-N130 WeakPolarHBondContact OD1-CA 3.32Å; I82-N130 PolarHBondContact O-N 2.82Å; E84-N130 HydrophobicContact CG-CB 3.58Å; E84-N130 PolarHBondContact OE1-ND2 3.05Å |
| 131 | T | 93.3 | Very high | 91.6 | Very high | 22 Ų | 22 | 37.3 Ų | 37.3 | 14% | 0.135 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -139.5 | 147.1 | 174.1 | -55.2 | 0 | 0 | 0 | 0 | 107.5 | R129 I204 | R129-T131 PolarHBondContact O-N 2.97Å; R129-T131 PolarHBondContact O-OG1 2.85Å; T131-I204 HydrophobicContact CG2-CD1 3.86Å; T131-I204 HydrophobicContact CG2-CG1 3.99Å |
| 132 | W | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 131.2 | 174.3 | -73.9 | 90.7 | 0 | 0 | 0 | 111 | E42 V43 V47 N81 K163 R165 Y197 V201 Q203 I204 | E42-W132 VanDerWaalsContact CD-NE1 3.33Å; E42-W132 PolarHBondContact OE2-NE1 2.8Å; V43-W132 HydrophobicContact CG1-CD2 3.58Å; V43-W132 HydrophobicContact CG1-CE3 4.25Å; V43-W132 HydrophobicContact CG1-CG 3.88Å; V43-W132 HydrophobicContact CG1-CH2 4.46Å; V43-W132 HydrophobicContact CG1-CZ2 3.82Å; V43-W132 HydrophobicContact CG2-CZ2 4.43Å; V47-W132 HydrophobicContact CB-CH2 4.29Å; V47-W132 HydrophobicContact CG1-CH2 3.74Å; V47-W132 HydrophobicContact CG1-CZ2 4.31Å; N81-W132 HydrophobicContact CB-CD2 3.6Å; N81-W132 HydrophobicContact CB-CE3 3.68Å; N81-W132 HydrophobicContact CB-CG 4.16Å; N81-W132 HydrophobicContact CB-CH2 3.92Å; N81-W132 HydrophobicContact CB-CZ2 3.85Å; N81-W132 HydrophobicContact CB-CZ3 3.84Å; N81-W132 PolarHBondContact ND2-NE1 2.95Å; W132-K163 HydrophobicContact CH2-CB 3.93Å; W132-K163 VanDerWaalsContact CZ3-O 3.3Å; W132-K163 WeakPolarHBondContact CZ3-O 3.35Å; W132-R165 HydrophobicContact CE3-CB 4.45Å; W132-R165 HydrophobicContact CH2-CB 4.48Å; W132-R165 HydrophobicContact CZ3-CB 3.86Å; W132-Y197 HydrophobicContact CB-CE1 3.8Å; W132-Y197 AromaticContact CD2-CE1 3.85Å; W132-Y197 HydrophobicContact CD2-CE1 3.85Å; W132-Y197 AromaticContact CE3-CE1 3.71Å; W132-Y197 HydrophobicContact CE3-CE1 3.71Å; W132-Y197 AromaticContact CG-CE1 3.89Å; W132-Y197 HydrophobicContact CG-CE1 3.89Å; W132-V201 HydrophobicContact CB-CG1 4.05Å; W132-V201 HydrophobicContact CG-CG1 4.13Å; W132-Q203 HydrophobicContact CB-CB 4.2Å; W132-Q203 CarbonylContact O-C 3.57Å; W132-Q203 WeakPolarHBondContact O-CA 3.37Å; W132-I204 PolarHBondContact O-N 3.4Å |
| 133 | S | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 140.7 | 179.3 | -66.6 | 0 | 0 | 0 | 0 | 110.8 | Q79 V80 Y197 I204 | Q79-S133 WeakPolarHBondContact CA-O 3.38Å; V80-S133 PolarHBondContact N-O 2.98Å; V80-S133 PolarHBondContact O-N 2.8Å; S133-Y197 PolarHBondContact O-OH 3.43Å; S133-Y197 VanDerWaalsContact O-OH 3.05Å; S133-I204 CarbonylContact C-O 3.52Å; S133-I204 VanDerWaalsContact CA-O 3.26Å; S133-I204 WeakPolarHBondContact CA-O 3.43Å |
| 134 | T | 94.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 99.2 | 162 | -65 | 0 | 0 | 0 | 0 | 106.6 | I77 C136 I191 Y197 Q203 I204 T205 H206 | I77-T134 HydrophobicContact CG2-CG2 3.7Å; T134-C136 PolarHBondContact O-N 2.72Å; T134-I191 HydrophobicContact CG2-CD1 3.96Å; T134-Y197 WeakPolarHBondContact OG1-CE2 3.49Å; T134-Q203 PolarHBondContact OG1-OE1 3.18Å; T134-I204 PolarHBondContact N-O 3.24Å; T134-T205 HydrophobicContact CG2-CG2 4.35Å; T134-T205 WeakPolarHBondContact O-CA 3.42Å; T134-H206 PolarHBondContact O-N 3.44Å |
| 135 | L | 94.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 112.4 | 173.7 | -52.6 | -178.2 | 0 | 0 | 0 | 108 | I77 V78 V80 F88 F124 L127 H206 L208 | I77-L135 VanDerWaalsContact CA-O 3.31Å; I77-L135 WeakPolarHBondContact CA-O 3.22Å; V78-L135 HydrophobicContact CB-CB 4.3Å; V78-L135 PolarHBondContact N-O 3.22Å; V78-L135 PolarHBondContact O-N 3.23Å; V80-L135 HydrophobicContact CG1-CD1 3.74Å; V80-L135 HydrophobicContact CG1-CG 4Å; F88-L135 HydrophobicContact CE1-CD1 3.86Å; F88-L135 HydrophobicContact CZ-CD1 4.48Å; F124-L135 HydrophobicContact CE1-CD1 4.04Å; F124-L135 HydrophobicContact CZ-CD1 4.03Å; L127-L135 HydrophobicContact CD1-CD2 3.77Å; L127-L135 HydrophobicContact CD2-CD2 4.33Å; L135-H206 HydrophobicContact CD2-CB 3.9Å; L135-L208 HydrophobicContact CB-CD1 4.4Å |
| 136 | C | 93.8 | Very high | 92.6 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.034 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 99.6 | 178.4 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | F75 T134 H206 L208 | F75-C136 VanDerWaalsContact CD1-SG 3.56Å; T134-C136 PolarHBondContact O-N 2.72Å; C136-H206 PolarHBondContact N-O 3.36Å; C136-L208 PolarHBondContact O-N 2.93Å |
| 137 | I | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 120 | -174.6 | -55.5 | 173.2 | 0 | 0 | 0 | 109.6 | F75 L76 L92 F106 L139 F142 L208 | F75-I137 WeakPolarHBondContact CA-O 3.34Å; L76-I137 HydrophobicContact CB-CB 4.49Å; L76-I137 PolarHBondContact N-O 3.18Å; L76-I137 PolarHBondContact O-N 3Å; L92-I137 HydrophobicContact CD1-CD1 4.12Å; L92-I137 HydrophobicContact CD1-CG2 4.32Å; F106-I137 HydrophobicContact CE1-CG2 4.19Å; F106-I137 HydrophobicContact CE2-CD1 4.3Å; F106-I137 HydrophobicContact CE2-CG2 4.2Å; F106-I137 HydrophobicContact CZ-CD1 4.37Å; F106-I137 HydrophobicContact CZ-CG2 3.58Å; I137-L139 HydrophobicContact CG2-CD2 3.93Å; I137-L139 PolarHBondContact O-N 3.16Å; I137-F142 HydrophobicContact CG2-CD2 4.07Å; I137-F142 HydrophobicContact CG2-CE2 4.18Å; I137-L208 HydrophobicContact CG1-CB 4.26Å; I137-L208 HydrophobicContact CG1-CD1 3.88Å |
| 138 | D | 94.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.011 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 96.3 | 173.9 | -169.1 | -22.7 | 0 | 0 | 0 | 110.4 | R74 F75 E140 S141 F142 L208 N209 | R74-D138 WeakPolarHBondContact CG-OD1 3.33Å; R74-D138 IonicContact CZ-OD1 3.74Å; R74-D138 IonicContact CZ-OD2 2.8Å; R74-D138 IonicContact NE-OD1 3.63Å; R74-D138 PolarHBondContact NE-OD1 3.43Å; R74-D138 IonicContact NE-OD2 3.59Å; R74-D138 PolarHBondContact NE-OD2 3.28Å; R74-D138 IonicContact NH2-OD1 3.78Å; R74-D138 PolarHBondContact NH2-OD1 3.43Å; R74-D138 IonicContact NH2-OD2 3.52Å; R74-D138 PolarHBondContact NH2-OD2 2.94Å; F75-D138 HydrophobicContact CD1-CB 4.11Å; F75-D138 HydrophobicContact CE1-CB 3.55Å; F75-D138 HydrophobicContact CZ-CB 4.15Å; D138-E140 VanDerWaalsContact C-N 3.29Å; D138-E140 PolarHBondContact O-N 3.21Å; D138-E140 PolarHBondContact OD1-N 2.94Å; D138-S141 PolarHBondContact O-N 2.99Å; D138-S141 PolarHBondContact OD1-N 2.97Å; D138-S141 WeakPolarHBondContact OD2-CB 3.48Å; D138-F142 VanDerWaalsContact O-CD2 3.31Å; D138-F142 WeakPolarHBondContact O-CD2 3.46Å; D138-F142 PolarHBondContact O-N 2.91Å; D138-F142 VanDerWaalsContact O-N 3.16Å; D138-L208 PolarHBondContact N-O 3.37Å; D138-N209 HydrophobicContact CB-CB 3.89Å |
| 139 | L | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.6 | -30.5 | -175.6 | -54.3 | 173.6 | 0 | 0 | 0 | 112.2 | R74 L76 L92 I137 A143 F150 L153 | R74-L139 VanDerWaalsContact O-CB 3.25Å; R74-L139 WeakPolarHBondContact O-CB 3.27Å; R74-L139 WeakPolarHBondContact O-CG 3.41Å; R74-L139 PolarHBondContact O-N 3.22Å; L76-L139 HydrophobicContact CB-CD1 4.16Å; L76-L139 HydrophobicContact CB-CD2 4.28Å; L76-L139 HydrophobicContact CB-CG 4.34Å; L92-L139 HydrophobicContact CD1-CD2 3.63Å; I137-L139 HydrophobicContact CG2-CD2 3.93Å; I137-L139 PolarHBondContact O-N 3.16Å; L139-A143 WeakPolarHBondContact O-CB 3.41Å; L139-A143 PolarHBondContact O-N 2.8Å; L139-F150 HydrophobicContact CB-CD2 3.76Å; L139-F150 HydrophobicContact CB-CE2 3.63Å; L139-F150 HydrophobicContact CB-CG 4.29Å; L139-F150 HydrophobicContact CB-CZ 4.05Å; L139-F150 HydrophobicContact CD1-CE2 3.69Å; L139-F150 HydrophobicContact CD1-CZ 3.65Å; L139-F150 HydrophobicContact CG-CE2 4.29Å; L139-L153 HydrophobicContact CD1-CB 3.94Å; L139-L153 HydrophobicContact CD1-CD1 4.36Å; L139-L153 HydrophobicContact CD1-CD2 4.13Å; L139-L153 HydrophobicContact CD1-CG 4.37Å |
| 140 | E | 94.2 | Very high | 94.7 | Very high | 51 Ų | 51 | 22.9 Ų | 22.9 | 24% | 0.238 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.6 | -47.3 | 176 | -175.3 | 63.7 | -96.5 | 0 | 0 | 110.7 | R74 D138 F142 A143 S144 G149 F150 | R74-E140 HydrophobicContact CG-CB 3.7Å; D138-E140 VanDerWaalsContact C-N 3.29Å; D138-E140 PolarHBondContact O-N 3.21Å; D138-E140 PolarHBondContact OD1-N 2.94Å; E140-F142 VanDerWaalsContact C-N 3.32Å; E140-F142 PolarHBondContact O-N 2.81Å; E140-A143 PolarHBondContact O-N 2.89Å; E140-S144 VanDerWaalsContact O-CB 3.24Å; E140-S144 WeakPolarHBondContact O-CB 3.33Å; E140-S144 PolarHBondContact O-N 2.97Å; E140-S144 PolarHBondContact O-OG 2.85Å; E140-S144 PolarHBondContact OE1-OG 2.83Å; E140-G149 WeakPolarHBondContact OE1-CA 3.46Å; E140-F150 HydrophobicContact CB-CB 4.36Å; E140-F150 PolarHBondContact OE1-N 2.73Å |
| 141 | S | 94.1 | Very high | 95 | Very high | 18 Ų | 18 | 21.8 Ų | 21.8 | 13% | 0.126 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.2 | -44.8 | 178.2 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | D138 G145 Y210 | D138-S141 PolarHBondContact O-N 2.99Å; D138-S141 PolarHBondContact OD1-N 2.97Å; D138-S141 WeakPolarHBondContact OD2-CB 3.48Å; S141-G145 PolarHBondContact O-N 2.86Å; S141-Y210 WeakPolarHBondContact O-CB 3.2Å; S141-Y210 WeakPolarHBondContact OG-CB 3.33Å; S141-Y210 PolarHBondContact OG-N 2.87Å |
| 142 | F | 95.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.9 | -42.5 | 174.7 | -78.3 | -64.8 | 0 | 0 | 0 | 113.3 | L104 F106 M113 I122 I137 D138 E140 L146 L208 Y210 L213 | L104-F142 HydrophobicContact CD1-CB 4.16Å; F106-F142 HydrophobicContact CE1-CD2 4.2Å; F106-F142 HydrophobicContact CE1-CE1 4.48Å; F106-F142 AromaticContact CE1-CE2 3.65Å; F106-F142 HydrophobicContact CE1-CE2 3.65Å; F106-F142 AromaticContact CE1-CZ 3.83Å; F106-F142 HydrophobicContact CE1-CZ 3.83Å; F106-F142 AromaticContact CZ-CD2 3.93Å; F106-F142 HydrophobicContact CZ-CD2 3.93Å; F106-F142 AromaticContact CZ-CE2 3.86Å; F106-F142 HydrophobicContact CZ-CE2 3.86Å; F106-F142 HydrophobicContact CZ-CG 4.48Å; F106-F142 HydrophobicContact CZ-CZ 4.36Å; M113-F142 HydrophobicContact CE-CD1 4.22Å; M113-F142 HydrophobicContact CE-CE1 4.1Å; I122-F142 HydrophobicContact CD1-CD1 3.89Å; I122-F142 HydrophobicContact CD1-CE1 3.96Å; I122-F142 HydrophobicContact CD1-CG 4.42Å; I122-F142 HydrophobicContact CG2-CE1 4.15Å; I122-F142 HydrophobicContact CG2-CZ 4.27Å; I137-F142 HydrophobicContact CG2-CD2 4.07Å; I137-F142 HydrophobicContact CG2-CE2 4.18Å; D138-F142 VanDerWaalsContact O-CD2 3.31Å; D138-F142 WeakPolarHBondContact O-CD2 3.46Å; D138-F142 PolarHBondContact O-N 2.91Å; D138-F142 VanDerWaalsContact O-N 3.16Å; E140-F142 VanDerWaalsContact C-N 3.32Å; E140-F142 PolarHBondContact O-N 2.81Å; F142-L146 HydrophobicContact CB-CD1 4.33Å; F142-L146 HydrophobicContact CD1-CD1 4.04Å; F142-L146 VanDerWaalsContact O-CB 3.22Å; F142-L146 WeakPolarHBondContact O-CB 3.48Å; F142-L146 WeakPolarHBondContact O-CD1 3.33Å; F142-L146 WeakPolarHBondContact O-CG 3.42Å; F142-L146 PolarHBondContact O-N 2.97Å; F142-L208 HydrophobicContact CE2-CB 4.17Å; F142-L208 WeakPolarHBondContact CE2-O 3.21Å; F142-Y210 HydrophobicContact CD1-CD2 4.21Å; F142-Y210 HydrophobicContact CE1-CD2 4.39Å; F142-L213 HydrophobicContact CE1-CD2 3.91Å; F142-L213 HydrophobicContact CZ-CD2 4.33Å |
| 143 | A | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -71.8 | -35.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I94 L139 E140 F147 K148 G149 F150 | I94-A143 HydrophobicContact CD1-CB 3.62Å; L139-A143 WeakPolarHBondContact O-CB 3.41Å; L139-A143 PolarHBondContact O-N 2.8Å; E140-A143 PolarHBondContact O-N 2.89Å; A143-F147 CarbonylContact O-C 3.49Å; A143-F147 WeakPolarHBondContact O-CA 3.18Å; A143-F147 WeakPolarHBondContact O-CB 3.49Å; A143-F147 PolarHBondContact O-N 2.87Å; A143-K148 PolarHBondContact O-N 3.06Å; A143-G149 VanDerWaalsContact CB-C 3.47Å; A143-G149 PolarHBondContact O-N 3.33Å; A143-G149 VanDerWaalsContact O-N 3.07Å; A143-F150 HydrophobicContact CB-CB 3.73Å |
| 144 | S | 94.7 | Very high | 95.6 | Very high | 70 Ų | 70 | 22.3 Ų | 22.3 | 49% | 0.49 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -71.9 | -39.7 | 173.3 | -76.6 | 0 | 0 | 0 | 0 | 111.9 | E140 G149 | E140-S144 VanDerWaalsContact O-CB 3.24Å; E140-S144 WeakPolarHBondContact O-CB 3.33Å; E140-S144 PolarHBondContact O-N 2.97Å; E140-S144 PolarHBondContact O-OG 2.85Å; E140-S144 PolarHBondContact OE1-OG 2.83Å; S144-G149 WeakPolarHBondContact OG-CA 3.27Å |
| 145 | G | 94.3 | Very high | 95.7 | Very high | 31 Ų | 31 | 22.6 Ų | 22.6 | 32% | 0.32 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -71.5 | -33.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | S141 | S141-G145 PolarHBondContact O-N 2.86Å |
| 146 | L | 95.2 | Very high | 95.9 | Very high | 32 Ų | 32 | 22.5 Ų | 22.5 | 17% | 0.168 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -103.7 | -26.2 | -174.5 | -66.9 | 163.5 | 0 | 0 | 0 | 114.9 | L104 M113 A115 A120 I122 F142 Y210 | L104-L146 HydrophobicContact CD2-CD1 4.04Å; M113-L146 HydrophobicContact CE-CD1 3.69Å; M113-L146 HydrophobicContact CE-CD2 3.56Å; M113-L146 HydrophobicContact CE-CG 4Å; M113-L146 HydrophobicContact SD-CD2 4.47Å; A115-L146 HydrophobicContact CB-CD2 3.74Å; A120-L146 HydrophobicContact CB-CD1 3.64Å; A120-L146 HydrophobicContact CB-CD2 4.25Å; A120-L146 HydrophobicContact CB-CG 4.48Å; I122-L146 HydrophobicContact CD1-CD1 4.36Å; F142-L146 HydrophobicContact CB-CD1 4.33Å; F142-L146 HydrophobicContact CD1-CD1 4.04Å; F142-L146 VanDerWaalsContact O-CB 3.22Å; F142-L146 WeakPolarHBondContact O-CB 3.48Å; F142-L146 WeakPolarHBondContact O-CD1 3.33Å; F142-L146 WeakPolarHBondContact O-CG 3.42Å; F142-L146 PolarHBondContact O-N 2.97Å; L146-Y210 HydrophobicContact CD2-CE2 4.02Å; L146-Y210 HydrophobicContact CG-CD2 4.37Å; L146-Y210 HydrophobicContact CG-CE2 4.18Å |
| 147 | F | 95.9 | Very high | 96.1 | Very high | 16 Ų | 16 | 22.6 Ų | 22.6 | 7% | 0.07 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -134.8 | -114.8 | -167.5 | -56.2 | -71.1 | 0 | 0 | 0 | 111.3 | I94 R102 L104 T116 A120 A143 | I94-F147 HydrophobicContact CD1-CD2 4.46Å; R102-F147 HydrophobicContact CB-CD1 4.21Å; R102-F147 HydrophobicContact CB-CD2 3.92Å; R102-F147 HydrophobicContact CB-CE1 4Å; R102-F147 HydrophobicContact CB-CE2 3.71Å; R102-F147 HydrophobicContact CB-CG 4.18Å; R102-F147 HydrophobicContact CB-CZ 3.76Å; R102-F147 HydrophobicContact CG-CB 4.22Å; R102-F147 HydrophobicContact CG-CD1 3.71Å; R102-F147 HydrophobicContact CG-CD2 3.86Å; R102-F147 HydrophobicContact CG-CE1 3.98Å; R102-F147 HydrophobicContact CG-CE2 4.14Å; R102-F147 HydrophobicContact CG-CG 3.65Å; R102-F147 HydrophobicContact CG-CZ 4.21Å; L104-F147 HydrophobicContact CD2-CE2 3.8Å; T116-F147 WeakPolarHBondContact O-CE1 3.07Å; A120-F147 HydrophobicContact CB-CE2 4.37Å; A120-F147 HydrophobicContact CB-CZ 4.08Å; A143-F147 CarbonylContact O-C 3.49Å; A143-F147 WeakPolarHBondContact O-CA 3.18Å; A143-F147 WeakPolarHBondContact O-CB 3.49Å; A143-F147 PolarHBondContact O-N 2.87Å |
| 148 | K | 94.5 | Very high | 96.2 | Very high | 123 Ų | 123 | 22.6 Ų | 22.6 | 54% | 0.535 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -142.6 | 44.5 | -176.4 | -61.6 | -63.9 | 164.6 | -154.5 | 0 | 111.3 | L97 Q98 A143 | L97-K148 WeakPolarHBondContact CB-O 3.38Å; L97-K148 WeakPolarHBondContact CD1-O 3.12Å; L97-K148 WeakPolarHBondContact CG-O 3.25Å; L97-K148 PolarHBondContact N-O 2.86Å; Q98-K148 HydrophobicContact CG-CB 4.03Å; Q98-K148 HydrophobicContact CG-CG 4Å; A143-K148 PolarHBondContact O-N 3.06Å |
| 149 | G | 95.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 4% | 0.041 | 13% | 0.132 | C | C | . | . | trans | 77.7 | 166.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | D96 E140 A143 S144 | D96-G149 WeakPolarHBondContact CA-O 3.47Å; D96-G149 WeakPolarHBondContact CB-O 3.4Å; E140-G149 WeakPolarHBondContact OE1-CA 3.46Å; A143-G149 VanDerWaalsContact CB-C 3.47Å; A143-G149 PolarHBondContact O-N 3.33Å; A143-G149 VanDerWaalsContact O-N 3.07Å; S144-G149 WeakPolarHBondContact OG-CA 3.27Å | ||
| 150 | F | 96.8 | Very high | 96.2 | Very high | 15 Ų | 15 | 23.3 Ų | 23.3 | 7% | 0.066 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 140.5 | -176.9 | 176.4 | -106.7 | 0 | 0 | 0 | 112.2 | I94 L97 L139 E140 A143 L153 | I94-F150 HydrophobicContact CB-CD2 4.37Å; I94-F150 HydrophobicContact CB-CE2 4.42Å; I94-F150 HydrophobicContact CG2-CD2 4.21Å; I94-F150 HydrophobicContact CG2-CE2 3.98Å; L97-F150 WeakPolarHBondContact CD2-O 3.32Å; L139-F150 HydrophobicContact CB-CD2 3.76Å; L139-F150 HydrophobicContact CB-CE2 3.63Å; L139-F150 HydrophobicContact CB-CG 4.29Å; L139-F150 HydrophobicContact CB-CZ 4.05Å; L139-F150 HydrophobicContact CD1-CE2 3.69Å; L139-F150 HydrophobicContact CD1-CZ 3.65Å; L139-F150 HydrophobicContact CG-CE2 4.29Å; E140-F150 HydrophobicContact CB-CB 4.36Å; E140-F150 PolarHBondContact OE1-N 2.73Å; A143-F150 HydrophobicContact CB-CB 3.73Å; F150-L153 HydrophobicContact CE2-CB 4.16Å; F150-L153 VanDerWaalsContact CE2-N 3.3Å; F150-L153 HydrophobicContact CZ-CB 4.11Å; F150-L153 VanDerWaalsContact CZ-N 3.27Å |
| 151 | L | 96.9 | Very high | 96.2 | Very high | 64 Ų | 64 | 21.2 Ų | 21.2 | 34% | 0.335 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | -52.6 | 170.7 | -174.9 | 70.7 | 0 | 0 | 0 | 111.9 | T95 D96 L97 H99 | T95-L151 HydrophobicContact CG2-CD2 4.19Å; T95-L151 WeakPolarHBondContact O-CB 3.37Å; T95-L151 PolarHBondContact O-N 3.13Å; D96-L151 WeakPolarHBondContact O-CB 3.31Å; L97-L151 HydrophobicContact CD2-CB 4.27Å; L97-L151 HydrophobicContact CD2-CD1 4.16Å; H99-L151 VanDerWaalsContact CE1-CD2 3.45Å; H99-L151 WeakPolarHBondContact CE1-CD2 3.33Å; H99-L151 WeakPolarHBondContact ND1-CD2 3.31Å |
| 152 | T | 97.7 | Very high | 96.3 | Very high | 23 Ų | 23 | 20.4 Ų | 20.4 | 14% | 0.141 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 147.5 | 174.1 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | L71 I72 I94 T95 D154 | L71-T152 CarbonylContact O-C 3.48Å; L71-T152 VanDerWaalsContact O-CA 3.22Å; L71-T152 WeakPolarHBondContact O-CA 3.46Å; I72-T152 HydrophobicContact CG2-CG2 4.09Å; I94-T152 CarbonylContact C-O 3.54Å; I94-T152 VanDerWaalsContact CA-O 3.25Å; I94-T152 WeakPolarHBondContact CA-O 3.48Å; T95-T152 PolarHBondContact N-O 3.04Å; T95-T152 PolarHBondContact O-N 3.48Å; T152-D154 WeakPolarHBondContact CB-OD1 3.47Å; T152-D154 PolarHBondContact OG1-OD1 3.31Å |
| 153 | L | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 127 | 155.1 | 179.8 | 68.9 | 0 | 0 | 0 | 108.1 | L69 G70 L71 L76 L92 I94 L139 F150 I156 T169 | L69-L153 WeakPolarHBondContact CB-O 3.49Å; G70-L153 PolarHBondContact N-O 3.44Å; L71-L153 HydrophobicContact CB-CB 4.2Å; L71-L153 HydrophobicContact CD1-CD2 4.18Å; L71-L153 PolarHBondContact N-O 3.09Å; L71-L153 PolarHBondContact O-N 2.75Å; L76-L153 HydrophobicContact CD1-CD2 4.01Å; L76-L153 HydrophobicContact CD2-CD2 4.04Å; L76-L153 HydrophobicContact CG-CD2 4.42Å; L92-L153 HydrophobicContact CB-CD1 4.04Å; I94-L153 HydrophobicContact CG2-CD1 4.03Å; L139-L153 HydrophobicContact CD1-CB 3.94Å; L139-L153 HydrophobicContact CD1-CD1 4.36Å; L139-L153 HydrophobicContact CD1-CD2 4.13Å; L139-L153 HydrophobicContact CD1-CG 4.37Å; F150-L153 HydrophobicContact CE2-CB 4.16Å; F150-L153 VanDerWaalsContact CE2-N 3.3Å; F150-L153 HydrophobicContact CZ-CB 4.11Å; F150-L153 VanDerWaalsContact CZ-N 3.27Å; L153-I156 HydrophobicContact CD1-CG1 4.44Å; L153-I156 HydrophobicContact CD2-CD1 3.9Å; L153-I156 HydrophobicContact CD2-CG1 3.93Å; L153-I156 HydrophobicContact CG-CG1 4.38Å; L153-T169 HydrophobicContact CD2-CG2 4.22Å |
| 154 | D | 97.9 | Very high | 96.3 | Very high | 11 Ų | 11 | 22.4 Ų | 22.4 | 6% | 0.059 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | -16.6 | -166 | -105.8 | 35.1 | 0 | 0 | 0 | 113.4 | S68 L69 G70 V93 T95 K101 T152 | S68-D154 CarbonylContact C-O 3.54Å; S68-D154 WeakPolarHBondContact CA-O 3.45Å; S68-D154 WeakPolarHBondContact CB-OD1 3.38Å; S68-D154 WeakPolarHBondContact CB-OD2 3.38Å; L69-D154 PolarHBondContact N-O 3.12Å; G70-D154 PolarHBondContact N-OD1 3.1Å; V93-D154 HydrophobicContact CG1-CB 4.24Å; V93-D154 CarbonylContact O-C 3.56Å; V93-D154 WeakPolarHBondContact O-CA 3.5Å; V93-D154 WeakPolarHBondContact O-CB 3.45Å; V93-D154 PolarHBondContact O-N 2.94Å; T95-D154 PolarHBondContact OG1-OD2 2.9Å; K101-D154 WeakPolarHBondContact CE-OD2 3.37Å; K101-D154 IonicContact NZ-OD2 2.75Å; K101-D154 PolarHBondContact NZ-OD2 2.99Å; T152-D154 WeakPolarHBondContact CB-OD1 3.47Å; T152-D154 PolarHBondContact OG1-OD1 3.31Å |
| 155 | G | 98.1 | Very high | 96.4 | Very high | 7 Ų | 7 | 20.9 Ų | 20.9 | 7% | 0.072 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 151.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M61 L92 V93 | M61-G155 CarbonylContact O-C 3.58Å; M61-G155 WeakPolarHBondContact O-CA 3.15Å; L92-G155 WeakPolarHBondContact CA-O 3.42Å; V93-G155 PolarHBondContact N-O 3.31Å; V93-G155 PolarHBondContact O-N 3.21Å |
| 156 | I | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 131.2 | 177.5 | -57.8 | 165.7 | 0 | 0 | 0 | 107.9 | L14 W26 Q60 M61 L69 L76 E91 L92 L153 I167 | L14-I156 HydrophobicContact CD1-CD1 3.8Å; W26-I156 HydrophobicContact CH2-CB 4.37Å; W26-I156 HydrophobicContact CH2-CG2 4.12Å; W26-I156 HydrophobicContact CZ3-CG2 4.5Å; Q60-I156 CarbonylContact C-O 3.58Å; Q60-I156 WeakPolarHBondContact CA-O 3.34Å; M61-I156 PolarHBondContact N-O 2.82Å; M61-I156 PolarHBondContact O-N 2.66Å; L69-I156 HydrophobicContact CD1-CD1 3.86Å; L69-I156 HydrophobicContact CD1-CG1 3.86Å; L76-I156 HydrophobicContact CD1-CD1 3.98Å; L76-I156 HydrophobicContact CD2-CD1 4.37Å; L76-I156 HydrophobicContact CD2-CG1 4.37Å; E91-I156 CarbonylContact O-C 3.58Å; L92-I156 HydrophobicContact CD2-CB 4.43Å; L92-I156 HydrophobicContact CD2-CG1 4.24Å; L92-I156 HydrophobicContact CD2-CG2 4.1Å; L153-I156 HydrophobicContact CD1-CG1 4.44Å; L153-I156 HydrophobicContact CD2-CD1 3.9Å; L153-I156 HydrophobicContact CD2-CG1 3.93Å; L153-I156 HydrophobicContact CG-CG1 4.38Å; I156-I167 HydrophobicContact CD1-CG2 4.26Å |
| 157 | T | 97.9 | Very high | 96.7 | Very high | 6 Ų | 6 | 19.7 Ų | 19.7 | 4% | 0.037 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 125.6 | 172 | -46.5 | 0 | 0 | 0 | 0 | 109.7 | K58 M59 Q60 T90 E91 F159 | K58-T157 HydrophobicContact CB-CG2 4.23Å; K58-T157 HydrophobicContact CD-CG2 3.99Å; K58-T157 HydrophobicContact CG-CG2 4.41Å; M59-T157 CarbonylContact O-C 3.5Å; M59-T157 WeakPolarHBondContact O-CA 3.21Å; Q60-T157 HydrophobicContact CB-CG2 4.13Å; T90-T157 CarbonylContact C-O 3.45Å; T90-T157 WeakPolarHBondContact CA-O 3.45Å; T90-T157 WeakPolarHBondContact CB-O 3.49Å; T90-T157 PolarHBondContact OG1-O 2.98Å; E91-T157 PolarHBondContact N-O 2.8Å; E91-T157 PolarHBondContact O-N 3.26Å; T157-F159 HydrophobicContact CG2-CD2 4.26Å; T157-F159 HydrophobicContact CG2-CE1 4.15Å; T157-F159 HydrophobicContact CG2-CE2 3.65Å; T157-F159 HydrophobicContact CG2-CZ 3.6Å |
| 158 | L | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 137.6 | 170.3 | -55.8 | -174.2 | 0 | 0 | 0 | 109.3 | K58 M59 V78 F88 T90 V164 I167 | K58-L158 CarbonylContact C-O 3.49Å; K58-L158 VanDerWaalsContact CA-O 3.25Å; K58-L158 WeakPolarHBondContact CA-O 3.5Å; K58-L158 VanDerWaalsContact CB-O 3.26Å; K58-L158 WeakPolarHBondContact CB-O 3.24Å; M59-L158 HydrophobicContact CE-CD1 4.25Å; M59-L158 HydrophobicContact CG-CB 3.9Å; M59-L158 HydrophobicContact CG-CG 4.44Å; M59-L158 PolarHBondContact N-O 2.78Å; M59-L158 PolarHBondContact O-N 2.84Å; M59-L158 HydrophobicContact SD-CB 4.48Å; M59-L158 HydrophobicContact SD-CD1 4.29Å; V78-L158 HydrophobicContact CG1-CD1 4.27Å; V78-L158 HydrophobicContact CG1-CD2 4.44Å; F88-L158 HydrophobicContact CZ-CD2 4.37Å; T90-L158 WeakPolarHBondContact OG1-CD2 3.44Å; L158-V164 HydrophobicContact CD1-CB 4.43Å; L158-V164 HydrophobicContact CD1-CG1 3.9Å; L158-V164 HydrophobicContact CD1-CG2 3.63Å; L158-I167 HydrophobicContact CD1-CD1 3.65Å; L158-I167 HydrophobicContact CD1-CG1 4.44Å; L158-I167 HydrophobicContact CG-CD1 4.35Å |
| 159 | F | 96.7 | Very high | 96.9 | Very high | 17 Ų | 17 | 13.1 Ų | 13.1 | 8% | 0.075 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 156.8 | -177.3 | -59.7 | -98.7 | 0 | 0 | 0 | 110.9 | S54 K58 S89 E91 T157 C162 | S54-F159 VanDerWaalsContact O-CD1 3.25Å; S54-F159 WeakPolarHBondContact O-CD1 3.26Å; K58-F159 HydrophobicContact CB-CD1 3.75Å; K58-F159 HydrophobicContact CB-CE1 4.26Å; K58-F159 HydrophobicContact CB-CG 4.24Å; K58-F159 HydrophobicContact CD-CD1 3.65Å; K58-F159 HydrophobicContact CD-CE1 3.33Å; K58-F159 HydrophobicContact CD-CZ 4.16Å; K58-F159 HydrophobicContact CG-CD1 4.36Å; K58-F159 HydrophobicContact CG-CE1 4.45Å; S89-F159 WeakPolarHBondContact O-CD2 3.25Å; S89-F159 PolarHBondContact O-N 3.12Å; S89-F159 WeakPolarHBondContact OG-CD2 3.42Å; E91-F159 HydrophobicContact CB-CE2 3.96Å; E91-F159 HydrophobicContact CB-CZ 4.35Å; E91-F159 HydrophobicContact CG-CE2 3.7Å; E91-F159 HydrophobicContact CG-CZ 3.88Å; T157-F159 HydrophobicContact CG2-CD2 4.26Å; T157-F159 HydrophobicContact CG2-CE1 4.15Å; T157-F159 HydrophobicContact CG2-CE2 3.65Å; T157-F159 HydrophobicContact CG2-CZ 3.6Å; F159-C162 PolarHBondContact O-SG 3.38Å; F159-C162 VanDerWaalsContact O-SG 3.39Å |
| 160 | A | 93.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.008 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -67.2 | 153.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | L50 G52 S54 V57 | L50-A160 HydrophobicContact CB-CB 4.2Å; G52-A160 WeakPolarHBondContact O-CB 3.45Å; S54-A160 WeakPolarHBondContact CB-O 3.22Å; V57-A160 HydrophobicContact CB-CB 3.7Å; V57-A160 HydrophobicContact CG1-CB 3.81Å; V57-A160 PolarHBondContact O-N 2.76Å |
| 161 | T | 94.4 | Very high | 96.4 | Very high | 6 Ų | 6 | 18.2 Ų | 18.2 | 4% | 0.037 | 9% | 0.086 | C | C | . | . | S | Bend | cis | -110.8 | 120.6 | 4.2 | -69.8 | 0 | 0 | 0 | 0 | 112.4 | L50 E51 G52 H86 | L50-T161 CarbonylContact O-C 3.55Å; L50-T161 WeakPolarHBondContact O-CA 3.36Å; L50-T161 WeakPolarHBondContact O-CG2 3.41Å; E51-T161 HydrophobicContact CG-CG2 4.37Å; G52-T161 PolarHBondContact N-OG1 2.94Å; G52-T161 PolarHBondContact O-OG1 3.4Å; H86-T161 HydrophobicContact CB-CG2 4.35Å |
| 162 | C | 95.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.007 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 164.4 | -177.3 | 64.8 | 0 | 0 | 0 | 0 | 113.1 | L50 V80 N81 I82 F88 F159 | L50-C162 PolarHBondContact N-O 3.26Å; L50-C162 PolarHBondContact O-N 3.49Å; V80-C162 HydrophobicContact CG2-CB 3.68Å; N81-C162 CarbonylContact O-C 3.59Å; N81-C162 WeakPolarHBondContact O-CA 3.33Å; N81-C162 WeakPolarHBondContact O-CB 3.39Å; I82-C162 HydrophobicContact CG1-CB 4.48Å; F88-C162 HydrophobicContact CD2-CB 3.83Å; F88-C162 HydrophobicContact CE2-CB 4.06Å; F159-C162 PolarHBondContact O-SG 3.38Å; F159-C162 VanDerWaalsContact O-SG 3.39Å |
| 163 | K | 96.4 | Very high | 93.4 | Very high | 43 Ų | 43 | 18.6 Ų | 18.6 | 19% | 0.187 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 122.4 | 172.2 | -57.5 | -164.6 | 172.2 | -159.1 | 0 | 109.8 | E38 V47 Y48 C49 E51 V80 N81 W132 | E38-K163 IonicContact OE2-NZ 3.13Å; E38-K163 PolarHBondContact OE2-NZ 3.43Å; V47-K163 HydrophobicContact CG2-CB 4.44Å; Y48-K163 CarbonylContact O-C 3.57Å; Y48-K163 WeakPolarHBondContact O-CA 3.46Å; C49-K163 HydrophobicContact CB-CD 4.48Å; C49-K163 HydrophobicContact CB-CG 4.29Å; C49-K163 WeakPolarHBondContact SG-CD 3.44Å; C49-K163 WeakPolarHBondContact SG-CE 3.44Å; E51-K163 IonicContact OE1-NZ 3.86Å; V80-K163 CarbonylContact C-O 3.59Å; V80-K163 VanDerWaalsContact CA-O 3.31Å; V80-K163 WeakPolarHBondContact CA-O 3.39Å; N81-K163 PolarHBondContact N-O 3.5Å; N81-K163 PolarHBondContact O-N 2.86Å; W132-K163 HydrophobicContact CH2-CB 3.93Å; W132-K163 VanDerWaalsContact CZ3-O 3.3Å; W132-K163 WeakPolarHBondContact CZ3-O 3.35Å |
| 164 | V | 97.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 122.7 | -170.7 | -171.9 | 0 | 0 | 0 | 0 | 110.4 | F15 V47 Y48 L50 M59 V80 L158 I167 | F15-V164 HydrophobicContact CD1-CG1 4.1Å; F15-V164 HydrophobicContact CE1-CB 4.29Å; F15-V164 HydrophobicContact CE1-CG1 3.82Å; V47-V164 WeakPolarHBondContact CA-O 3.44Å; V47-V164 WeakPolarHBondContact CB-O 3.43Å; Y48-V164 PolarHBondContact N-O 2.85Å; Y48-V164 PolarHBondContact O-N 3.16Å; L50-V164 HydrophobicContact CD1-CG2 4.3Å; M59-V164 HydrophobicContact SD-CG2 4.5Å; V80-V164 HydrophobicContact CG2-CG2 4.31Å; L158-V164 HydrophobicContact CD1-CB 4.43Å; L158-V164 HydrophobicContact CD1-CG1 3.9Å; L158-V164 HydrophobicContact CD1-CG2 3.63Å; V164-I167 HydrophobicContact CG1-CD1 4.22Å; V164-I167 HydrophobicContact CG1-CG1 4.06Å |
| 165 | R | 97.1 | Very high | 88.7 | Confident | 38 Ų | 38 | 32.2 Ų | 32.2 | 14% | 0.143 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -48.1 | 177.7 | -179.6 | -175.6 | -177.3 | -113.3 | 9.2 | 112.2 | G17 V47 Q79 W132 F195 W196 | G17-R165 PolarHBondContact N-O 2.87Å; V47-R165 HydrophobicContact CG1-CB 4.16Å; Q79-R165 HydrophobicContact CB-CB 4.12Å; Q79-R165 PolarHBondContact O-N 3.16Å; W132-R165 HydrophobicContact CE3-CB 4.45Å; W132-R165 HydrophobicContact CH2-CB 4.48Å; W132-R165 HydrophobicContact CZ3-CB 3.86Å; R165-F195 PolarHBondContact NH1-O 3.46Å; R165-W196 PolarHBondContact NH1-O 2.84Å; R165-W196 PolarHBondContact NH2-O 3.03Å |
| 166 | R | 96.9 | Very high | 86.6 | Confident | 39 Ų | 39 | 36.7 Ų | 36.7 | 15% | 0.147 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 151.4 | -173.6 | -145.1 | 172.6 | -168.4 | 161.6 | -1.8 | 112.3 | D13 F15 Q79 F168 S194 F195 | D13-R166 IonicContact OD1-NE 3.09Å; D13-R166 IonicContact OD2-CZ 3.11Å; D13-R166 VanDerWaalsContact OD2-CZ 3.3Å; D13-R166 IonicContact OD2-NE 2.7Å; D13-R166 PolarHBondContact OD2-NE 3.28Å; D13-R166 VanDerWaalsContact OD2-NE 3.09Å; D13-R166 IonicContact OD2-NH2 3.3Å; D13-R166 PolarHBondContact OD2-NH2 3.27Å; F15-R166 CarbonylContact O-C 3.6Å; F15-R166 VanDerWaalsContact O-CA 3.24Å; F15-R166 WeakPolarHBondContact O-CA 3.47Å; F15-R166 WeakPolarHBondContact O-CG 3.31Å; Q79-R166 HydrophobicContact CB-CB 4.21Å; Q79-R166 PolarHBondContact N-O 3.45Å; R166-F168 HydrophobicContact CB-CD1 4.32Å; R166-F168 HydrophobicContact CB-CE1 4.45Å; R166-F168 HydrophobicContact CG-CD1 4.04Å; R166-F168 HydrophobicContact CG-CE1 4.48Å; R166-S194 PolarHBondContact NH1-O 2.97Å; R166-F195 VanDerWaalsContact CZ-CD1 3.41Å; R166-F195 VanDerWaalsContact NE-CE1 3.31Å |
| 167 | I | 98.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 130.7 | 170 | -51.3 | 168.6 | 0 | 0 | 0 | 107.3 | L14 F15 W26 M59 L76 I77 V78 I156 L158 V164 | L14-I167 WeakPolarHBondContact CA-O 3.25Å; L14-I167 HydrophobicContact CB-CG2 4.43Å; L14-I167 WeakPolarHBondContact CB-O 3.43Å; L14-I167 HydrophobicContact CD1-CG2 4.32Å; L14-I167 PolarHBondContact N-O 2.83Å; F15-I167 HydrophobicContact CB-CB 4.11Å; F15-I167 HydrophobicContact CB-CD1 4.23Å; F15-I167 HydrophobicContact CB-CG1 4.28Å; F15-I167 HydrophobicContact CD1-CD1 4.32Å; F15-I167 HydrophobicContact CD1-CG1 4.17Å; F15-I167 HydrophobicContact CG-CD1 4.48Å; F15-I167 PolarHBondContact N-O 2.84Å; F15-I167 PolarHBondContact O-N 3.04Å; W26-I167 HydrophobicContact CH2-CD1 3.5Å; W26-I167 VanDerWaalsContact CH2-CD1 3.5Å; W26-I167 HydrophobicContact CZ2-CD1 3.78Å; W26-I167 HydrophobicContact CZ3-CD1 4.47Å; M59-I167 HydrophobicContact CE-CD1 3.82Å; L76-I167 HydrophobicContact CD1-CG2 3.86Å; I77-I167 WeakPolarHBondContact O-CA 3.29Å; V78-I167 HydrophobicContact CG1-CG1 4.42Å; V78-I167 HydrophobicContact CG2-CG2 4.22Å; I156-I167 HydrophobicContact CD1-CG2 4.26Å; L158-I167 HydrophobicContact CD1-CD1 3.65Å; L158-I167 HydrophobicContact CD1-CG1 4.44Å; L158-I167 HydrophobicContact CG-CD1 4.35Å; V164-I167 HydrophobicContact CG1-CD1 4.22Å; V164-I167 HydrophobicContact CG1-CG1 4.06Å |
| 168 | F | 97.2 | Very high | 82.2 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 155.8 | -179.8 | 56.6 | -83.6 | 0 | 0 | 0 | 110.1 | V11 F12 I77 Q79 R166 M170 I191 F195 | V11-F168 HydrophobicContact CG1-CB 3.83Å; V11-F168 HydrophobicContact CG1-CD2 3.62Å; V11-F168 HydrophobicContact CG1-CG 4.03Å; V11-F168 HydrophobicContact CG2-CD2 4.21Å; V11-F168 HydrophobicContact CG2-CE2 4.43Å; F12-F168 VanDerWaalsContact O-CA 3.32Å; F12-F168 WeakPolarHBondContact O-CA 3.2Å; F12-F168 WeakPolarHBondContact O-CB 3.2Å; I77-F168 HydrophobicContact CB-CD1 4.32Å; I77-F168 HydrophobicContact CB-CD2 4.01Å; I77-F168 HydrophobicContact CB-CE1 4.01Å; I77-F168 HydrophobicContact CB-CE2 3.69Å; I77-F168 HydrophobicContact CB-CG 4.33Å; I77-F168 HydrophobicContact CB-CZ 3.69Å; I77-F168 HydrophobicContact CD1-CD2 4.27Å; I77-F168 HydrophobicContact CD1-CE2 4.13Å; I77-F168 HydrophobicContact CG1-CD2 4.38Å; I77-F168 HydrophobicContact CG1-CE2 3.88Å; I77-F168 HydrophobicContact CG1-CZ 4.22Å; I77-F168 HydrophobicContact CG2-CD1 4.39Å; I77-F168 HydrophobicContact CG2-CE1 3.66Å; I77-F168 HydrophobicContact CG2-CE2 3.94Å; I77-F168 HydrophobicContact CG2-CZ 3.41Å; I77-F168 VanDerWaalsContact CG2-CZ 3.41Å; I77-F168 PolarHBondContact N-O 3.27Å; I77-F168 PolarHBondContact O-N 2.92Å; Q79-F168 HydrophobicContact CG-CE1 4.49Å; R166-F168 HydrophobicContact CB-CD1 4.32Å; R166-F168 HydrophobicContact CB-CE1 4.45Å; R166-F168 HydrophobicContact CG-CD1 4.04Å; R166-F168 HydrophobicContact CG-CE1 4.48Å; F168-M170 HydrophobicContact CD2-CG 4.16Å; F168-M170 HydrophobicContact CD2-SD 4.4Å; F168-M170 HydrophobicContact CE2-CG 4.13Å; F168-M170 HydrophobicContact CE2-SD 3.78Å; F168-I191 HydrophobicContact CE2-CG2 4.24Å; F168-I191 HydrophobicContact CZ-CG2 4.03Å; F168-F195 HydrophobicContact CB-CD1 4.41Å; F168-F195 HydrophobicContact CB-CE1 4.14Å; F168-F195 AromaticContact CD1-CD1 3.65Å; F168-F195 HydrophobicContact CD1-CD1 3.65Å; F168-F195 HydrophobicContact CD1-CE1 4.16Å; F168-F195 AromaticContact CD2-CD1 3.92Å; F168-F195 HydrophobicContact CD2-CD1 3.92Å; F168-F195 HydrophobicContact CD2-CE1 4.31Å; F168-F195 HydrophobicContact CE1-CB 4.27Å; F168-F195 AromaticContact CE1-CD1 3.72Å; F168-F195 HydrophobicContact CE1-CD1 3.72Å; F168-F195 HydrophobicContact CE1-CG 4.46Å; F168-F195 HydrophobicContact CE2-CB 4.3Å; F168-F195 AromaticContact CE2-CD1 3.97Å; F168-F195 HydrophobicContact CE2-CD1 3.97Å; F168-F195 HydrophobicContact CE2-CG 4.36Å; F168-F195 AromaticContact CG-CD1 3.74Å; F168-F195 HydrophobicContact CG-CD1 3.74Å; F168-F195 AromaticContact CG-CE1 3.97Å; F168-F195 HydrophobicContact CG-CE1 3.97Å; F168-F195 HydrophobicContact CZ-CB 3.88Å; F168-F195 AromaticContact CZ-CD1 3.87Å; F168-F195 HydrophobicContact CZ-CD1 3.87Å; F168-F195 HydrophobicContact CZ-CG 4.26Å |
| 169 | T | 97.1 | Very high | 80 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 160.9 | 169.2 | 52.7 | 0 | 0 | 0 | 0 | 111.1 | V11 F12 L14 L71 Q73 F75 L76 L153 | V11-T169 VanDerWaalsContact CA-O 3.31Å; V11-T169 WeakPolarHBondContact CA-O 3.11Å; F12-T169 PolarHBondContact N-O 2.96Å; F12-T169 PolarHBondContact O-N 2.98Å; L14-T169 HydrophobicContact CD1-CG2 4.06Å; L71-T169 HydrophobicContact CD1-CG2 4.48Å; Q73-T169 PolarHBondContact OE1-O 2.83Å; Q73-T169 PolarHBondContact OE1-OG1 3.03Å; F75-T169 CarbonylContact O-C 3.56Å; F75-T169 WeakPolarHBondContact O-CA 3.47Å; F75-T169 VanDerWaalsContact O-CB 3.25Å; F75-T169 WeakPolarHBondContact O-CB 3.37Å; L76-T169 HydrophobicContact CB-CG2 4.37Å; L76-T169 HydrophobicContact CD1-CG2 3.76Å; L153-T169 HydrophobicContact CD2-CG2 4.22Å |
| 170 | M | 93.8 | Very high | 77.8 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 3% | 0.034 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 145.4 | 175.6 | -81.6 | 170.9 | 57 | 0 | 0 | 112.8 | A10 V11 F75 I77 F168 M190 I191 | A10-M170 WeakPolarHBondContact O-CA 3.41Å; V11-M170 HydrophobicContact CG2-CG 3.66Å; V11-M170 HydrophobicContact CG2-SD 4.37Å; F75-M170 HydrophobicContact CB-CB 4.24Å; F75-M170 PolarHBondContact N-O 2.89Å; F75-M170 PolarHBondContact O-N 2.96Å; I77-M170 HydrophobicContact CD1-CB 3.73Å; I77-M170 HydrophobicContact CD1-CG 3.68Å; I77-M170 HydrophobicContact CD1-SD 3.58Å; I77-M170 VanDerWaalsContact CD1-SD 3.58Å; I77-M170 HydrophobicContact CG1-SD 4.06Å; F168-M170 HydrophobicContact CD2-CG 4.16Å; F168-M170 HydrophobicContact CD2-SD 4.4Å; F168-M170 HydrophobicContact CE2-CG 4.13Å; F168-M170 HydrophobicContact CE2-SD 3.78Å; M170-M190 VanDerWaalsContact CE-C 3.47Å; M170-M190 HydrophobicContact CE-CB 3.65Å; M170-M190 HydrophobicContact CE-CE 3.9Å; M170-M190 VanDerWaalsContact CE-O 3.3Å; M170-M190 WeakPolarHBondContact CE-O 3.31Å; M170-I191 HydrophobicContact CE-CG1 4.03Å; M170-I191 HydrophobicContact SD-CB 4.28Å; M170-I191 HydrophobicContact SD-CG1 3.67Å |
| 171 | K | 86.9 | Confident | 75.6 | Confident | 119 Ų | 119 | 56.5 Ų | 56.5 | 52% | 0.517 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -90.3 | 134.5 | 167.4 | -174.9 | -175.4 | 178.3 | -169.1 | 0 | 109.8 | A10 Q73 | A10-K171 PolarHBondContact O-N 3.47Å; A10-K171 VanDerWaalsContact O-N 3.11Å; Q73-K171 HydrophobicContact CG-CB 4.36Å |
| 172 | T | 73 | Confident | 73.9 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 14% | 0.141 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -94.3 | 148.8 | 160.1 | 31.4 | 0 | 0 | 0 | 0 | 111 | F75 M190 | F75-T172 HydrophobicContact CD2-CG2 3.86Å; F75-T172 HydrophobicContact CE2-CG2 3.48Å; F75-T172 VanDerWaalsContact CE2-CG2 3.48Å; F75-T172 HydrophobicContact CZ-CG2 4.48Å; T172-M190 HydrophobicContact CG2-CE 3.31Å; T172-M190 HydrophobicContact CG2-SD 4.05Å |
| 173 | D | 59.1 | Low | 72.1 | Confident | 73 Ų | 73 | 63.5 Ų | 63.5 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -85.5 | 123.3 | 158.3 | -171.8 | -26.6 | 0 | 0 | 0 | 107.9 | K175 I176 | D173-K175 PolarHBondContact O-N 2.96Å; D173-K175 VanDerWaalsContact O-N 3.12Å; D173-K175 VanDerWaalsContact OD1-CB 3.29Å; D173-K175 WeakPolarHBondContact OD1-CB 3.45Å; D173-K175 WeakPolarHBondContact OD1-CG 3.42Å; D173-K175 PolarHBondContact OD1-N 3.48Å; D173-I176 HydrophobicContact CB-CD1 4.11Å; D173-I176 HydrophobicContact CB-CG1 4.27Å; D173-I176 PolarHBondContact O-N 2.85Å; D173-I176 VanDerWaalsContact O-N 3.08Å |
| 174 | P | 51.8 | Low | 70.2 | Confident | 105 Ų | 105 | 62.9 Ų | 62.9 | 68% | 0.682 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -58 | -21.5 | 175.9 | 24.3 | -34.6 | 0 | 0 | 0 | 113.4 | I176 M177 | P174-I176 PolarHBondContact O-N 2.88Å; P174-M177 WeakPolarHBondContact O-CB 3.3Å; P174-M177 PolarHBondContact O-N 2.94Å |
| 175 | K | 45.2 | Very low | 68.5 | Low | 191 Ų | 191 | 66.7 Ų | 66.7 | 83% | 0.83 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -67.2 | -19.4 | 175.9 | -64.4 | 174.8 | -179.9 | 178.1 | 0 | 114.2 | D173 M177 | D173-K175 PolarHBondContact O-N 2.96Å; D173-K175 VanDerWaalsContact O-N 3.12Å; D173-K175 VanDerWaalsContact OD1-CB 3.29Å; D173-K175 WeakPolarHBondContact OD1-CB 3.45Å; D173-K175 WeakPolarHBondContact OD1-CG 3.42Å; D173-K175 PolarHBondContact OD1-N 3.48Å; K175-M177 VanDerWaalsContact C-N 3.29Å |
| 176 | I | 54.6 | Low | 66.7 | Low | 102 Ų | 102 | 66.8 Ų | 66.8 | 52% | 0.523 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -85.5 | -10.4 | 175.4 | -60.6 | 173.6 | 0 | 0 | 0 | 110.4 | D173 P174 | D173-I176 HydrophobicContact CB-CD1 4.11Å; D173-I176 HydrophobicContact CB-CG1 4.27Å; D173-I176 PolarHBondContact O-N 2.85Å; D173-I176 VanDerWaalsContact O-N 3.08Å; P174-I176 PolarHBondContact O-N 2.88Å |
| 177 | M | 54 | Low | 65.3 | Low | 40 Ų | 40 | 65 Ų | 65 | 20% | 0.197 | 36% | 0.361 | C | S | . | . | trans | -112.8 | 93.1 | -160.1 | -160.8 | 161.4 | -166.5 | 0 | 0 | 112.2 | R74 F75 P174 K175 L182 | R74-M177 VanDerWaalsContact CZ-CE 3.47Å; R74-M177 VanDerWaalsContact NH2-CE 3.26Å; F75-M177 HydrophobicContact CZ-CE 4.21Å; P174-M177 WeakPolarHBondContact O-CB 3.3Å; P174-M177 PolarHBondContact O-N 2.94Å; K175-M177 VanDerWaalsContact C-N 3.29Å; M177-L182 HydrophobicContact CE-CD1 3.87Å; M177-L182 HydrophobicContact CE-CD2 4.09Å; M177-L182 HydrophobicContact CE-CG 4.28Å | ||
| 178 | S | 51.1 | Low | 63.9 | Low | 51 Ų | 51 | 67.4 Ų | 67.4 | 36% | 0.357 | 37% | 0.373 | S | S | . | . | trans | -98.5 | 148.5 | 143 | 80.6 | 0 | 0 | 0 | 0 | 108.7 | T180 F181 | S178-T180 PolarHBondContact O-N 2.88Å; S178-T180 PolarHBondContact OG-OG1 2.95Å; S178-F181 PolarHBondContact O-N 2.91Å; S178-F181 WeakPolarHBondContact OG-CD2 3.37Å; S178-F181 WeakPolarHBondContact OG-CE2 3.44Å | ||
| 179 | D | 50.5 | Low | 62.8 | Low | 109 Ų | 109 | 75.1 Ų | 75.1 | 58% | 0.583 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -64 | -15.9 | -169.1 | -47.9 | -63.2 | 0 | 0 | 0 | 113.1 | F181 | D179-F181 VanDerWaalsContact C-N 3.27Å; D179-F181 PolarHBondContact O-N 2.85Å |
| 180 | T | 49.9 | Very low | 61.9 | Low | 117 Ų | 117 | 77.4 Ų | 77.4 | 72% | 0.718 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -64 | -21.1 | 173.3 | -21.8 | 0 | 0 | 0 | 0 | 114.5 | S178 | S178-T180 PolarHBondContact O-N 2.88Å; S178-T180 PolarHBondContact OG-OG1 2.95Å |
| 181 | F | 47.4 | Very low | 61.7 | Low | 122 Ų | 122 | 77.4 Ų | 77.4 | 54% | 0.535 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -95.4 | -1.6 | -168.7 | -74.3 | -71.6 | 0 | 0 | 0 | 116.1 | S178 D179 N183 C186 | S178-F181 PolarHBondContact O-N 2.91Å; S178-F181 WeakPolarHBondContact OG-CD2 3.37Å; S178-F181 WeakPolarHBondContact OG-CE2 3.44Å; D179-F181 VanDerWaalsContact C-N 3.27Å; D179-F181 PolarHBondContact O-N 2.85Å; F181-N183 PolarHBondContact O-N 2.85Å; F181-C186 WeakPolarHBondContact O-CB 3.47Å |
| 182 | L | 58.4 | Low | 61.8 | Low | 28 Ų | 28 | 73.7 Ų | 73.7 | 15% | 0.147 | 41% | 0.408 | C | S | . | . | trans | -75.8 | 31.2 | -179 | -66 | -175.4 | 0 | 0 | 0 | 115.2 | M177 L187 N209 | M177-L182 HydrophobicContact CE-CD1 3.87Å; M177-L182 HydrophobicContact CE-CD2 4.09Å; M177-L182 HydrophobicContact CE-CG 4.28Å; L182-L187 HydrophobicContact CD2-CD1 4.11Å; L182-L187 HydrophobicContact CD2-CD2 4.3Å; L182-L187 HydrophobicContact CD2-CG 4.21Å; L182-N209 WeakPolarHBondContact CD1-ND2 3.47Å | ||
| 183 | N | 58.3 | Low | 62.6 | Low | 127 Ų | 127 | 82.5 Ų | 82.5 | 68% | 0.679 | 44% | 0.439 | S | S | * | . | trans | -69 | 138.6 | 163.8 | -83.3 | -18.1 | 0 | 0 | 0 | 110.1 | F181 A185 C186 | F181-N183 PolarHBondContact O-N 2.85Å; N183-A185 PolarHBondContact O-N 2.86Å; N183-C186 PolarHBondContact O-N 2.94Å | ||
| 184 | G | 57.4 | Low | 64 | Low | 30 Ų | 30 | 83.3 Ų | 83.3 | 31% | 0.309 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.3 | -20.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | M188 | G184-M188 PolarHBondContact O-N 2.88Å |
| 185 | A | 59.8 | Low | 66 | Low | 79 Ų | 79 | 79.3 Ų | 79.3 | 65% | 0.653 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.8 | -46.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N183 L187 M188 E189 | N183-A185 PolarHBondContact O-N 2.86Å; A185-L187 PolarHBondContact O-N 3.16Å; A185-M188 WeakPolarHBondContact O-CB 3.35Å; A185-M188 PolarHBondContact O-N 3.09Å; A185-M188 VanDerWaalsContact O-N 3.11Å; A185-E189 PolarHBondContact O-N 2.9Å |
| 186 | C | 60 | Low | 68.2 | Low | 40 Ų | 40 | 74.1 Ų | 74.1 | 27% | 0.27 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | -177.9 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | F181 N183 M188 E189 M190 | F181-C186 WeakPolarHBondContact O-CB 3.47Å; N183-C186 PolarHBondContact O-N 2.94Å; C186-M188 PolarHBondContact O-N 2.88Å; C186-E189 PolarHBondContact O-N 3.14Å; C186-E189 VanDerWaalsContact O-N 3.16Å; C186-M190 PolarHBondContact O-N 2.91Å |
| 187 | L | 67.8 | Low | 70 | Confident | 3 Ų | 3 | 69.9 Ų | 69.9 | 2% | 0.016 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.8 | -26.8 | 175.8 | -82.6 | 166.8 | 0 | 0 | 0 | 113.3 | F75 L182 A185 M190 I191 V207 | F75-L187 HydrophobicContact CE1-CD2 4.5Å; L182-L187 HydrophobicContact CD2-CD1 4.11Å; L182-L187 HydrophobicContact CD2-CD2 4.3Å; L182-L187 HydrophobicContact CD2-CG 4.21Å; A185-L187 PolarHBondContact O-N 3.16Å; L187-M190 HydrophobicContact CD2-CE 3.57Å; L187-M190 HydrophobicContact CD2-SD 3.84Å; L187-M190 PolarHBondContact O-N 2.86Å; L187-I191 WeakPolarHBondContact O-CG1 3.16Å; L187-I191 PolarHBondContact O-N 2.96Å; L187-V207 HydrophobicContact CD1-CB 4.06Å; L187-V207 HydrophobicContact CD1-CG1 3.4Å; L187-V207 HydrophobicContact CD1-CG2 3.47Å; L187-V207 VanDerWaalsContact CD1-CG2 3.47Å |
| 188 | M | 68.8 | Low | 71.7 | Confident | 50 Ų | 50 | 69.7 Ų | 69.7 | 25% | 0.246 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -71.5 | -32.3 | 175.6 | -123.4 | -145.5 | 75.7 | 0 | 0 | 112.6 | G184 A185 C186 M190 I191 W196 Q203 | G184-M188 PolarHBondContact O-N 2.88Å; A185-M188 WeakPolarHBondContact O-CB 3.35Å; A185-M188 PolarHBondContact O-N 3.09Å; A185-M188 VanDerWaalsContact O-N 3.11Å; C186-M188 PolarHBondContact O-N 2.88Å; M188-M190 VanDerWaalsContact C-N 3.34Å; M188-I191 PolarHBondContact O-N 2.99Å; M188-W196 HydrophobicContact CE-CD2 3.63Å; M188-W196 VanDerWaalsContact CE-CE2 3.44Å; M188-W196 HydrophobicContact CE-CE3 4.08Å; M188-W196 HydrophobicContact CE-CG 4.04Å; M188-W196 HydrophobicContact CE-CH2 4.19Å; M188-W196 HydrophobicContact CE-CZ2 3.76Å; M188-W196 HydrophobicContact CE-CZ3 4.34Å; M188-W196 PolarHBondContact O-NE1 3.41Å; M188-W196 VanDerWaalsContact O-NE1 3.12Å; M188-Q203 PolarHBondContact SD-NE2 3.11Å; M188-Q203 VanDerWaalsContact SD-NE2 3.41Å |
| 189 | E | 73.1 | Confident | 73.4 | Confident | 162 Ų | 162 | 73.6 Ų | 73.6 | 76% | 0.757 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -69.7 | -31.5 | 176.1 | -59.9 | -169.5 | 151.1 | 0 | 0 | 112.4 | A185 C186 | A185-E189 PolarHBondContact O-N 2.9Å; C186-E189 PolarHBondContact O-N 3.14Å; C186-E189 VanDerWaalsContact O-N 3.16Å |
| 190 | M | 79.9 | Confident | 75.3 | Confident | 48 Ų | 48 | 73.2 Ų | 73.2 | 24% | 0.236 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68.2 | -31.8 | 174.3 | -70.8 | 173.9 | 28 | 0 | 0 | 113.5 | M170 T172 C186 L187 M188 P192 | M170-M190 VanDerWaalsContact CE-C 3.47Å; M170-M190 HydrophobicContact CE-CB 3.65Å; M170-M190 HydrophobicContact CE-CE 3.9Å; M170-M190 VanDerWaalsContact CE-O 3.3Å; M170-M190 WeakPolarHBondContact CE-O 3.31Å; T172-M190 HydrophobicContact CG2-CE 3.31Å; T172-M190 HydrophobicContact CG2-SD 4.05Å; C186-M190 PolarHBondContact O-N 2.91Å; L187-M190 HydrophobicContact CD2-CE 3.57Å; L187-M190 HydrophobicContact CD2-SD 3.84Å; L187-M190 PolarHBondContact O-N 2.86Å; M188-M190 VanDerWaalsContact C-N 3.34Å; M190-P192 WeakPolarHBondContact O-CD 3.41Å |
| 191 | I | 88.2 | Confident | 77.3 | Confident | 7 Ų | 7 | 68.3 Ų | 68.3 | 4% | 0.036 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -69.6 | 125 | 178.7 | -61.1 | 166.4 | 0 | 0 | 0 | 107.8 | T134 F168 M170 L187 M188 F195 W196 | T134-I191 HydrophobicContact CG2-CD1 3.96Å; F168-I191 HydrophobicContact CE2-CG2 4.24Å; F168-I191 HydrophobicContact CZ-CG2 4.03Å; M170-I191 HydrophobicContact CE-CG1 4.03Å; M170-I191 HydrophobicContact SD-CB 4.28Å; M170-I191 HydrophobicContact SD-CG1 3.67Å; L187-I191 WeakPolarHBondContact O-CG1 3.16Å; L187-I191 PolarHBondContact O-N 2.96Å; M188-I191 PolarHBondContact O-N 2.99Å; I191-F195 HydrophobicContact CG2-CB 3.7Å; I191-W196 PolarHBondContact O-NE1 3.11Å |
| 192 | P | 89.7 | Confident | 79.3 | Confident | 40 Ų | 40 | 67.9 Ų | 67.9 | 26% | 0.26 | 38% | 0.375 | S | S | . | . | trans | -62.4 | 142.8 | 178.4 | -23.2 | 34.4 | 0 | 0 | 0 | 111.9 | V11 M190 S194 F195 | V11-P192 VanDerWaalsContact CG2-CD 3.5Å; V11-P192 HydrophobicContact CG2-CG 3.62Å; M190-P192 WeakPolarHBondContact O-CD 3.41Å; P192-S194 PolarHBondContact O-N 3.3Å; P192-F195 HydrophobicContact CB-CD2 4.21Å; P192-F195 WeakPolarHBondContact O-CA 3.44Å; P192-F195 WeakPolarHBondContact O-CB 3.17Å; P192-F195 PolarHBondContact O-N 2.91Å | ||
| 193 | R | 89.1 | Confident | 80.9 | Confident | 209 Ų | 209 | 68.8 Ų | 68.8 | 79% | 0.789 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -54.8 | -28.8 | -174.5 | -60.1 | -176.8 | -172.7 | 172.1 | 2.6 | 114.4 | F195 W196 | R193-F195 PolarHBondContact O-N 2.85Å; R193-W196 HydrophobicContact CB-CD2 4.41Å; R193-W196 HydrophobicContact CB-CE3 4.44Å; R193-W196 HydrophobicContact CG-CD2 4.33Å; R193-W196 HydrophobicContact CG-CE3 4.21Å; R193-W196 HydrophobicContact CG-CH2 4.05Å; R193-W196 HydrophobicContact CG-CZ2 4.13Å; R193-W196 HydrophobicContact CG-CZ3 4.08Å; R193-W196 PolarHBondContact O-N 2.86Å |
| 194 | S | 90.1 | Very high | 82.4 | Confident | 89 Ų | 89 | 64.6 Ų | 64.6 | 62% | 0.622 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -71.1 | -5.2 | 174.8 | 52.9 | 0 | 0 | 0 | 0 | 114.8 | R166 P192 | R166-S194 PolarHBondContact NH1-O 2.97Å; P192-S194 PolarHBondContact O-N 3.3Å |
| 195 | F | 92.4 | Very high | 84 | Confident | 22 Ų | 22 | 64.8 Ų | 64.8 | 10% | 0.096 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -109.8 | -13.2 | 174.7 | -71.7 | -102.7 | 0 | 0 | 0 | 112.9 | V11 D13 Q79 R165 R166 F168 I191 P192 R193 | V11-F195 HydrophobicContact CB-CE2 4.38Å; V11-F195 HydrophobicContact CB-CZ 4.25Å; V11-F195 HydrophobicContact CG1-CD1 4.1Å; V11-F195 HydrophobicContact CG1-CE1 3.5Å; V11-F195 HydrophobicContact CG1-CE2 4.06Å; V11-F195 HydrophobicContact CG1-CZ 3.49Å; V11-F195 VanDerWaalsContact CG1-CZ 3.49Å; V11-F195 HydrophobicContact CG2-CE2 4.48Å; D13-F195 HydrophobicContact CB-CE1 4.09Å; D13-F195 HydrophobicContact CB-CZ 4.18Å; Q79-F195 PolarHBondContact NE2-O 2.77Å; R165-F195 PolarHBondContact NH1-O 3.46Å; R166-F195 VanDerWaalsContact CZ-CD1 3.41Å; R166-F195 VanDerWaalsContact NE-CE1 3.31Å; F168-F195 HydrophobicContact CB-CD1 4.41Å; F168-F195 HydrophobicContact CB-CE1 4.14Å; F168-F195 AromaticContact CD1-CD1 3.65Å; F168-F195 HydrophobicContact CD1-CD1 3.65Å; F168-F195 HydrophobicContact CD1-CE1 4.16Å; F168-F195 AromaticContact CD2-CD1 3.92Å; F168-F195 HydrophobicContact CD2-CD1 3.92Å; F168-F195 HydrophobicContact CD2-CE1 4.31Å; F168-F195 HydrophobicContact CE1-CB 4.27Å; F168-F195 AromaticContact CE1-CD1 3.72Å; F168-F195 HydrophobicContact CE1-CD1 3.72Å; F168-F195 HydrophobicContact CE1-CG 4.46Å; F168-F195 HydrophobicContact CE2-CB 4.3Å; F168-F195 AromaticContact CE2-CD1 3.97Å; F168-F195 HydrophobicContact CE2-CD1 3.97Å; F168-F195 HydrophobicContact CE2-CG 4.36Å; F168-F195 AromaticContact CG-CD1 3.74Å; F168-F195 HydrophobicContact CG-CD1 3.74Å; F168-F195 AromaticContact CG-CE1 3.97Å; F168-F195 HydrophobicContact CG-CE1 3.97Å; F168-F195 HydrophobicContact CZ-CB 3.88Å; F168-F195 AromaticContact CZ-CD1 3.87Å; F168-F195 HydrophobicContact CZ-CD1 3.87Å; F168-F195 HydrophobicContact CZ-CG 4.26Å; I191-F195 HydrophobicContact CG2-CB 3.7Å; P192-F195 HydrophobicContact CB-CD2 4.21Å; P192-F195 WeakPolarHBondContact O-CA 3.44Å; P192-F195 WeakPolarHBondContact O-CB 3.17Å; P192-F195 PolarHBondContact O-N 2.91Å; R193-F195 PolarHBondContact O-N 2.85Å |
| 196 | W | 91.8 | Very high | 85.4 | Confident | 82 Ų | 82 | 62.4 Ų | 62.4 | 31% | 0.311 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -60 | 163.2 | 173.8 | -66.3 | -1 | 0 | 0 | 0 | 112.3 | R165 M188 I191 R193 | R165-W196 PolarHBondContact NH1-O 2.84Å; R165-W196 PolarHBondContact NH2-O 3.03Å; M188-W196 HydrophobicContact CE-CD2 3.63Å; M188-W196 VanDerWaalsContact CE-CE2 3.44Å; M188-W196 HydrophobicContact CE-CE3 4.08Å; M188-W196 HydrophobicContact CE-CG 4.04Å; M188-W196 HydrophobicContact CE-CH2 4.19Å; M188-W196 HydrophobicContact CE-CZ2 3.76Å; M188-W196 HydrophobicContact CE-CZ3 4.34Å; M188-W196 PolarHBondContact O-NE1 3.41Å; M188-W196 VanDerWaalsContact O-NE1 3.12Å; I191-W196 PolarHBondContact O-NE1 3.11Å; R193-W196 HydrophobicContact CB-CD2 4.41Å; R193-W196 HydrophobicContact CB-CE3 4.44Å; R193-W196 HydrophobicContact CG-CD2 4.33Å; R193-W196 HydrophobicContact CG-CE3 4.21Å; R193-W196 HydrophobicContact CG-CH2 4.05Å; R193-W196 HydrophobicContact CG-CZ2 4.13Å; R193-W196 HydrophobicContact CG-CZ3 4.08Å; R193-W196 PolarHBondContact O-N 2.86Å |
| 197 | Y | 91.6 | Very high | 86.7 | Confident | 13 Ų | 13 | 61.9 Ų | 61.9 | 5% | 0.051 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 160.1 | 162.5 | -68.5 | -92.8 | 0 | 0 | 0 | 110.2 | V43 Q79 W132 S133 T134 V201 Q203 | V43-Y197 HydrophobicContact CB-CD1 4.32Å; V43-Y197 HydrophobicContact CG1-CD1 3.75Å; V43-Y197 HydrophobicContact CG1-CE1 3.83Å; Q79-Y197 HydrophobicContact CB-CE2 4.41Å; Q79-Y197 WeakPolarHBondContact CB-OH 3.31Å; Q79-Y197 HydrophobicContact CG-CE2 3.89Å; W132-Y197 HydrophobicContact CB-CE1 3.8Å; W132-Y197 AromaticContact CD2-CE1 3.85Å; W132-Y197 HydrophobicContact CD2-CE1 3.85Å; W132-Y197 AromaticContact CE3-CE1 3.71Å; W132-Y197 HydrophobicContact CE3-CE1 3.71Å; W132-Y197 AromaticContact CG-CE1 3.89Å; W132-Y197 HydrophobicContact CG-CE1 3.89Å; S133-Y197 PolarHBondContact O-OH 3.43Å; S133-Y197 VanDerWaalsContact O-OH 3.05Å; T134-Y197 WeakPolarHBondContact OG1-CE2 3.49Å; Y197-V201 HydrophobicContact CD1-CB 4.44Å; Y197-V201 HydrophobicContact CD1-CG1 3.95Å; Y197-V201 HydrophobicContact CD1-CG2 4.44Å; Y197-V201 HydrophobicContact CG-CB 4.45Å; Y197-V201 HydrophobicContact CG-CG1 4.23Å; Y197-Q203 HydrophobicContact CD2-CB 3.92Å; Y197-Q203 VanDerWaalsContact CD2-CD 3.49Å; Y197-Q203 HydrophobicContact CD2-CG 3.81Å; Y197-Q203 VanDerWaalsContact CD2-OE1 3.26Å; Y197-Q203 HydrophobicContact CE2-CB 4.04Å; Y197-Q203 HydrophobicContact CE2-CG 4.35Å; Y197-Q203 HydrophobicContact CG-CB 4.41Å; Y197-Q203 HydrophobicContact CG-CG 4.35Å |
| 198 | P | 90.3 | Very high | 87.8 | Confident | 36 Ų | 36 | 62.2 Ų | 62.2 | 23% | 0.234 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 144.7 | 163.3 | -22.4 | 32.2 | 0 | 0 | 0 | 111.1 | K44 D200 V201 | K44-P198 HydrophobicContact CB-CG 4.46Å; K44-P198 HydrophobicContact CD-CB 4.5Å; P198-D200 WeakPolarHBondContact CB-OD1 3.41Å; P198-D200 PolarHBondContact O-N 2.99Å; P198-V201 HydrophobicContact CB-CG2 4.17Å; P198-V201 HydrophobicContact CG-CG2 4.17Å; P198-V201 PolarHBondContact O-N 3.24Å |
| 199 | S | 86.9 | Confident | 88.8 | Confident | 133 Ų | 133 | 60.2 Ų | 60.2 | 93% | 0.93 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -11.4 | -173.7 | -52.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 200 | D | 91.2 | Very high | 89.7 | Confident | 101 Ų | 101 | 54.8 Ų | 54.8 | 54% | 0.54 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 2.9 | 175.7 | 62.7 | -56.6 | 0 | 0 | 0 | 114.3 | K44 P198 | K44-D200 WeakPolarHBondContact CE-OD2 3.34Å; K44-D200 IonicContact NZ-OD1 2.65Å; K44-D200 PolarHBondContact NZ-OD1 2.95Å; K44-D200 IonicContact NZ-OD2 2.79Å; K44-D200 PolarHBondContact NZ-OD2 2.89Å; P198-D200 WeakPolarHBondContact CB-OD1 3.41Å; P198-D200 PolarHBondContact O-N 2.99Å |
| 201 | V | 92.1 | Very high | 89.9 | Confident | 13 Ų | 13 | 56 Ų | 56 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -82.5 | 125.6 | 169.8 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | E42 V43 W132 Y197 P198 Q203 | E42-V201 HydrophobicContact CG-CG1 4.44Å; E42-V201 VanDerWaalsContact O-CG2 3.3Å; E42-V201 WeakPolarHBondContact O-CG2 3.47Å; V43-V201 HydrophobicContact CB-CG2 4.41Å; V43-V201 HydrophobicContact CG1-CG1 4.29Å; V43-V201 HydrophobicContact CG1-CG2 4.17Å; W132-V201 HydrophobicContact CB-CG1 4.05Å; W132-V201 HydrophobicContact CG-CG1 4.13Å; Y197-V201 HydrophobicContact CD1-CB 4.44Å; Y197-V201 HydrophobicContact CD1-CG1 3.95Å; Y197-V201 HydrophobicContact CD1-CG2 4.44Å; Y197-V201 HydrophobicContact CG-CB 4.45Å; Y197-V201 HydrophobicContact CG-CG1 4.23Å; P198-V201 HydrophobicContact CB-CG2 4.17Å; P198-V201 HydrophobicContact CG-CG2 4.17Å; P198-V201 PolarHBondContact O-N 3.24Å; V201-Q203 HydrophobicContact CG1-CB 4.3Å; V201-Q203 PolarHBondContact O-N 3.13Å |
| 202 | N | 88.7 | Confident | 89.5 | Confident | 114 Ų | 114 | 58.8 Ų | 58.8 | 61% | 0.61 | 31% | 0.306 | S | S | * | . | trans | -71.7 | 106.5 | 165.4 | -175.9 | 15.5 | 0 | 0 | 0 | 109.3 | ||||
| 203 | Q | 91.1 | Very high | 89.1 | Confident | 46 Ų | 46 | 57.3 Ų | 57.3 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 148.3 | 179.9 | 64 | 124.6 | 3.8 | 0 | 0 | 113.5 | W132 T134 M188 Y197 V201 | W132-Q203 HydrophobicContact CB-CB 4.2Å; W132-Q203 CarbonylContact O-C 3.57Å; W132-Q203 WeakPolarHBondContact O-CA 3.37Å; T134-Q203 PolarHBondContact OG1-OE1 3.18Å; M188-Q203 PolarHBondContact SD-NE2 3.11Å; M188-Q203 VanDerWaalsContact SD-NE2 3.41Å; Y197-Q203 HydrophobicContact CD2-CB 3.92Å; Y197-Q203 VanDerWaalsContact CD2-CD 3.49Å; Y197-Q203 HydrophobicContact CD2-CG 3.81Å; Y197-Q203 VanDerWaalsContact CD2-OE1 3.26Å; Y197-Q203 HydrophobicContact CE2-CB 4.04Å; Y197-Q203 HydrophobicContact CE2-CG 4.35Å; Y197-Q203 HydrophobicContact CG-CB 4.41Å; Y197-Q203 HydrophobicContact CG-CG 4.35Å; V201-Q203 HydrophobicContact CG1-CB 4.3Å; V201-Q203 PolarHBondContact O-N 3.13Å |
| 204 | I | 90.9 | Very high | 88.8 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 20% | 0.2 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 131 | -179.1 | -57.6 | 176.4 | 0 | 0 | 0 | 109.2 | K128 T131 W132 S133 T134 H206 | K128-I204 HydrophobicContact CB-CD1 4.02Å; K128-I204 HydrophobicContact CD-CD1 3.45Å; K128-I204 VanDerWaalsContact CD-CD1 3.45Å; K128-I204 HydrophobicContact CG-CD1 3.79Å; T131-I204 HydrophobicContact CG2-CD1 3.86Å; T131-I204 HydrophobicContact CG2-CG1 3.99Å; W132-I204 PolarHBondContact O-N 3.4Å; S133-I204 CarbonylContact C-O 3.52Å; S133-I204 VanDerWaalsContact CA-O 3.26Å; S133-I204 WeakPolarHBondContact CA-O 3.43Å; T134-I204 PolarHBondContact N-O 3.24Å; I204-H206 WeakPolarHBondContact CG2-NE2 3.47Å |
| 205 | T | 89.9 | Confident | 88.1 | Confident | 34 Ų | 34 | 52.8 Ų | 52.8 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 115 | 175.5 | -60.8 | 0 | 0 | 0 | 0 | 109.7 | T134 V207 | T134-T205 HydrophobicContact CG2-CG2 4.35Å; T134-T205 WeakPolarHBondContact O-CA 3.42Å; T205-V207 HydrophobicContact CG2-CG2 4.47Å |
| 206 | H | 88.9 | Confident | 87 | Confident | 30 Ų | 30 | 53.4 Ų | 53.4 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 119.4 | 175.5 | -69.5 | -93.8 | 0 | 0 | 0 | 109.3 | E126 T134 L135 C136 I204 | E126-H206 PolarHBondContact O-CE1 3.25Å; T134-H206 PolarHBondContact O-N 3.44Å; L135-H206 HydrophobicContact CD2-CB 3.9Å; C136-H206 PolarHBondContact N-O 3.36Å; I204-H206 WeakPolarHBondContact CG2-NE2 3.47Å |
| 207 | V | 88.6 | Confident | 85.6 | Confident | 28 Ų | 28 | 53.1 Ų | 53.1 | 17% | 0.17 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 107.3 | 179.9 | -175 | 0 | 0 | 0 | 0 | 108.8 | L187 T205 | L187-V207 HydrophobicContact CD1-CB 4.06Å; L187-V207 HydrophobicContact CD1-CG1 3.4Å; L187-V207 HydrophobicContact CD1-CG2 3.47Å; L187-V207 VanDerWaalsContact CD1-CG2 3.47Å; T205-V207 HydrophobicContact CG2-CG2 4.47Å |
| 208 | L | 90.7 | Very high | 84.1 | Confident | 10 Ų | 10 | 58.2 Ų | 58.2 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 99.8 | -174.6 | -66.6 | 162.9 | 0 | 0 | 0 | 108.8 | F124 L135 C136 I137 D138 F142 | F124-L208 HydrophobicContact CD1-CD1 4.09Å; F124-L208 HydrophobicContact CD1-CD2 4.49Å; F124-L208 HydrophobicContact CE1-CD1 3.68Å; L135-L208 HydrophobicContact CB-CD1 4.4Å; C136-L208 PolarHBondContact O-N 2.93Å; I137-L208 HydrophobicContact CG1-CB 4.26Å; I137-L208 HydrophobicContact CG1-CD1 3.88Å; D138-L208 PolarHBondContact N-O 3.37Å; F142-L208 HydrophobicContact CE2-CB 4.17Å; F142-L208 WeakPolarHBondContact CE2-O 3.21Å |
| 209 | N | 90 | Very high | 82.4 | Confident | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.043 | 34% | 0.342 | C | S | . | . | trans | -127.2 | 167.6 | 169.6 | 72.6 | 24.7 | 0 | 0 | 0 | 109.2 | D138 L182 E211 N212 | D138-N209 HydrophobicContact CB-CB 3.89Å; L182-N209 WeakPolarHBondContact CD1-ND2 3.47Å; N209-E211 PolarHBondContact OD1-N 3.05Å; N209-N212 WeakPolarHBondContact OD1-CB 3.28Å; N209-N212 PolarHBondContact OD1-N 2.89Å; N209-N212 PolarHBondContact OD1-ND2 2.82Å | ||
| 210 | Y | 90.8 | Very high | 80.7 | Confident | 49 Ų | 49 | 62.7 Ų | 62.7 | 19% | 0.192 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.9 | -38.5 | -173.9 | -178.8 | -115.3 | 0 | 0 | 0 | 112.6 | M113 S141 F142 L146 L213 Q214 | M113-Y210 HydrophobicContact CE-CD2 3.92Å; M113-Y210 HydrophobicContact CE-CE2 3.86Å; M113-Y210 HydrophobicContact SD-CD2 4.19Å; M113-Y210 HydrophobicContact SD-CE2 3.78Å; S141-Y210 WeakPolarHBondContact O-CB 3.2Å; S141-Y210 WeakPolarHBondContact OG-CB 3.33Å; S141-Y210 PolarHBondContact OG-N 2.87Å; F142-Y210 HydrophobicContact CD1-CD2 4.21Å; F142-Y210 HydrophobicContact CE1-CD2 4.39Å; L146-Y210 HydrophobicContact CD2-CE2 4.02Å; L146-Y210 HydrophobicContact CG-CD2 4.37Å; L146-Y210 HydrophobicContact CG-CE2 4.18Å; Y210-L213 WeakPolarHBondContact O-CB 3.24Å; Y210-L213 PolarHBondContact O-N 3.49Å; Y210-Q214 HydrophobicContact CE1-CG 4.27Å; Y210-Q214 VanDerWaalsContact CZ-NE2 3.31Å; Y210-Q214 PolarHBondContact O-N 3.34Å; Y210-Q214 VanDerWaalsContact O-N 3.1Å; Y210-Q214 PolarHBondContact OH-NE2 2.9Å; Y210-Q214 VanDerWaalsContact OH-NE2 3.09Å |
| 211 | E | 84.5 | Confident | 78.3 | Confident | 72 Ų | 72 | 64 Ų | 64 | 34% | 0.336 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.9 | -43.3 | -178.2 | -64.4 | 178.3 | -139 | 0 | 0 | 113.6 | N209 L213 Q214 K215 | N209-E211 PolarHBondContact OD1-N 3.05Å; E211-L213 PolarHBondContact O-N 2.72Å; E211-Q214 PolarHBondContact O-N 3.02Å; E211-K215 WeakPolarHBondContact O-CB 3.44Å; E211-K215 WeakPolarHBondContact O-CD 3.15Å; E211-K215 WeakPolarHBondContact O-CG 3.4Å; E211-K215 PolarHBondContact O-N 2.88Å; E211-K215 IonicContact OE2-NZ 3.68Å; E211-K215 PolarHBondContact OE2-NZ 2.8Å |
| 212 | N | 80.5 | Confident | 75.9 | Confident | 66 Ų | 66 | 69.4 Ų | 69.4 | 35% | 0.353 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66 | -26.2 | 179.2 | -69.2 | -7.2 | 0 | 0 | 0 | 111 | N209 A216 | N209-N212 WeakPolarHBondContact OD1-CB 3.28Å; N209-N212 PolarHBondContact OD1-N 2.89Å; N209-N212 PolarHBondContact OD1-ND2 2.82Å; N212-A216 WeakPolarHBondContact O-CB 3.32Å; N212-A216 PolarHBondContact O-N 2.86Å |
| 213 | L | 81.7 | Confident | 73.7 | Confident | 10 Ų | 10 | 71.9 Ų | 71.9 | 5% | 0.052 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -72.5 | -47.6 | 174.2 | -164.6 | 63 | 0 | 0 | 0 | 111.5 | M113 I122 P123 T125 F142 Y210 E211 K215 A216 E217 | M113-L213 HydrophobicContact CE-CD2 3.87Å; M113-L213 HydrophobicContact CG-CD2 4.28Å; M113-L213 HydrophobicContact SD-CD2 3.57Å; M113-L213 VanDerWaalsContact SD-CD2 3.57Å; M113-L213 HydrophobicContact SD-CG 4.42Å; I122-L213 HydrophobicContact CG2-CD2 3.66Å; P123-L213 HydrophobicContact CG-CD1 4.17Å; T125-L213 HydrophobicContact CG2-CD1 4.03Å; F142-L213 HydrophobicContact CE1-CD2 3.91Å; F142-L213 HydrophobicContact CZ-CD2 4.33Å; Y210-L213 WeakPolarHBondContact O-CB 3.24Å; Y210-L213 PolarHBondContact O-N 3.49Å; E211-L213 PolarHBondContact O-N 2.72Å; L213-K215 VanDerWaalsContact C-N 3.31Å; L213-K215 PolarHBondContact O-N 3.09Å; L213-A216 WeakPolarHBondContact O-CB 3.49Å; L213-A216 PolarHBondContact O-N 3.31Å; L213-A216 VanDerWaalsContact O-N 3.07Å; L213-E217 PolarHBondContact O-N 2.92Å |
| 214 | Q | 81.7 | Confident | 71 | Confident | 85 Ų | 85 | 75.4 Ų | 75.4 | 40% | 0.397 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -56.6 | -44 | 171.1 | -70.4 | -175.1 | -26.1 | 0 | 0 | 112 | Y210 E211 A216 E217 V218 | Y210-Q214 HydrophobicContact CE1-CG 4.27Å; Y210-Q214 VanDerWaalsContact CZ-NE2 3.31Å; Y210-Q214 PolarHBondContact O-N 3.34Å; Y210-Q214 VanDerWaalsContact O-N 3.1Å; Y210-Q214 PolarHBondContact OH-NE2 2.9Å; Y210-Q214 VanDerWaalsContact OH-NE2 3.09Å; E211-Q214 PolarHBondContact O-N 3.02Å; Q214-A216 PolarHBondContact O-N 3.29Å; Q214-E217 PolarHBondContact O-N 3.31Å; Q214-V218 WeakPolarHBondContact O-CG2 3.11Å; Q214-V218 PolarHBondContact O-N 3.1Å; Q214-V218 VanDerWaalsContact O-N 3.11Å |
| 215 | K | 76.6 | Confident | 68.3 | Low | 118 Ų | 118 | 79.3 Ų | 79.3 | 51% | 0.513 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.4 | -25.2 | 177.6 | -66.7 | 160.9 | -162.4 | 165.1 | 0 | 112.7 | E211 L213 | E211-K215 WeakPolarHBondContact O-CB 3.44Å; E211-K215 WeakPolarHBondContact O-CD 3.15Å; E211-K215 WeakPolarHBondContact O-CG 3.4Å; E211-K215 PolarHBondContact O-N 2.88Å; E211-K215 IonicContact OE2-NZ 3.68Å; E211-K215 PolarHBondContact OE2-NZ 2.8Å; L213-K215 VanDerWaalsContact C-N 3.31Å; L213-K215 PolarHBondContact O-N 3.09Å |
| 216 | A | 69.5 | Low | 65.6 | Low | 34 Ų | 34 | 82.5 Ų | 82.5 | 28% | 0.281 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -80 | -41.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T125 N212 L213 Q214 K219 S220 | T125-A216 HydrophobicContact CG2-CB 4.32Å; N212-A216 WeakPolarHBondContact O-CB 3.32Å; N212-A216 PolarHBondContact O-N 2.86Å; L213-A216 WeakPolarHBondContact O-CB 3.49Å; L213-A216 PolarHBondContact O-N 3.31Å; L213-A216 VanDerWaalsContact O-N 3.07Å; Q214-A216 PolarHBondContact O-N 3.29Å; A216-K219 CarbonylContact O-C 3.56Å; A216-K219 WeakPolarHBondContact O-CA 3.45Å; A216-K219 WeakPolarHBondContact O-CB 3.3Å; A216-K219 PolarHBondContact O-N 2.84Å; A216-S220 PolarHBondContact O-N 2.94Å; A216-S220 VanDerWaalsContact O-N 3.12Å; A216-S220 PolarHBondContact O-OG 3.39Å |
| 217 | E | 60.6 | Low | 63 | Low | 77 Ų | 77 | 86.8 Ų | 86.8 | 36% | 0.36 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 179.5 | -159.7 | 158.1 | -125.9 | 0 | 0 | 111.2 | M113 L213 Q214 K219 S220 | M113-E217 PolarHBondContact N-OE1 2.86Å; M113-E217 VanDerWaalsContact N-OE1 3.13Å; L213-E217 PolarHBondContact O-N 2.92Å; Q214-E217 PolarHBondContact O-N 3.31Å; E217-K219 PolarHBondContact O-N 3.44Å; E217-S220 WeakPolarHBondContact CA-OG 3.49Å; E217-S220 PolarHBondContact O-N 2.87Å; E217-S220 VanDerWaalsContact O-N 3.12Å; E217-S220 PolarHBondContact O-OG 2.99Å |
| 218 | V | 60.6 | Low | 60.3 | Low | 120 Ų | 120 | 89.6 Ų | 89.6 | 73% | 0.727 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -19.2 | 173.3 | 175.6 | 0 | 0 | 0 | 0 | 113.2 | Q214 | Q214-V218 WeakPolarHBondContact O-CG2 3.11Å; Q214-V218 PolarHBondContact O-N 3.1Å; Q214-V218 VanDerWaalsContact O-N 3.11Å |
| 219 | K | 55.9 | Low | 57.4 | Low | 179 Ų | 179 | 97.8 Ų | 97.8 | 78% | 0.778 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -13.3 | 177.8 | -164.8 | -176.2 | 173.8 | -166.3 | 0 | 112.8 | A216 E217 | A216-K219 CarbonylContact O-C 3.56Å; A216-K219 WeakPolarHBondContact O-CA 3.45Å; A216-K219 WeakPolarHBondContact O-CB 3.3Å; A216-K219 PolarHBondContact O-N 2.84Å; E217-K219 PolarHBondContact O-N 3.44Å |
| 220 | S | 50.7 | Low | 54.4 | Low | 83 Ų | 83 | 103 Ų | 103 | 58% | 0.58 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -81.9 | -13.1 | 179.3 | 23.5 | 0 | 0 | 0 | 0 | 115 | A216 E217 P222 | A216-S220 PolarHBondContact O-N 2.94Å; A216-S220 VanDerWaalsContact O-N 3.12Å; A216-S220 PolarHBondContact O-OG 3.39Å; E217-S220 WeakPolarHBondContact CA-OG 3.49Å; E217-S220 PolarHBondContact O-N 2.87Å; E217-S220 VanDerWaalsContact O-N 3.12Å; E217-S220 PolarHBondContact O-OG 2.99Å; S220-P222 VanDerWaalsContact O-CD 3.27Å; S220-P222 WeakPolarHBondContact O-CD 3.31Å |
| 221 | D | 39.9 | Very low | 51.5 | Low | 129 Ų | 129 | 105.9 Ų | 105.9 | 69% | 0.69 | 62% | 0.622 | S | S | * | * | trans | -78.1 | 109.1 | 173.7 | -79.2 | -33.9 | 0 | 0 | 0 | 111.3 | L223 | D221-L223 PolarHBondContact O-N 3.5Š| ||
| 222 | P | 41.7 | Very low | 48.8 | Very low | 126 Ų | 126 | 109.8 Ų | 109.8 | 82% | 0.818 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 41.7 | -168.7 | 38 | -35.7 | 0 | 0 | 0 | 112.5 | S220 | S220-P222 VanDerWaalsContact O-CD 3.27Å; S220-P222 WeakPolarHBondContact O-CD 3.31Å |
| 223 | L | 42.2 | Very low | 46.4 | Very low | 166 Ų | 166 | 114 Ų | 114 | 87% | 0.869 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.3 | 20 | -170.6 | -110.5 | 160 | 0 | 0 | 0 | 115.7 | D221 | D221-L223 PolarHBondContact O-N 3.5Š|
| 224 | S | 36 | Very low | 44 | Very low | 120 Ų | 120 | 118.7 Ų | 118.7 | 84% | 0.839 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -148.2 | 63.8 | 169.1 | -160.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 225 | S | 33.7 | Very low | 41.8 | Very low | 121 Ų | 121 | 121 Ų | 121 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | trans | -159 | 77.2 | 160.2 | -158 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 226 | A | 32.3 | Very low | 39.4 | Very low | 102 Ų | 102 | 118.5 Ų | 118.5 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | trans | -130.4 | 45 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A228 | A226-A228 PolarHBondContact O-N 2.85Š| ||
| 227 | S | 35.1 | Very low | 37.5 | Very low | 119 Ų | 119 | 123.1 Ų | 123.1 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | -74.5 | 103.5 | 171.7 | -58.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 228 | A | 31.8 | Very low | 36 | Very low | 88 Ų | 88 | 125.9 Ų | 125.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -70.9 | 128.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A226 V230 | A226-A228 PolarHBondContact O-N 2.85Å; A228-V230 PolarHBondContact O-N 2.9Å; A228-V230 VanDerWaalsContact O-N 3.17Å | ||
| 229 | E | 28.6 | Very low | 34.5 | Very low | 181 Ų | 181 | 126.4 Ų | 126.4 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -71.9 | 102.1 | 158.5 | -79 | -156.8 | 131.3 | 0 | 0 | 109.6 | V231 | E229-V231 VanDerWaalsContact C-N 3.35Å; E229-V231 PolarHBondContact O-N 3.49Å | ||
| 230 | V | 27.8 | Very low | 33.1 | Very low | 118 Ų | 118 | 123 Ų | 123 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | trans | -78.3 | 86.6 | 170.1 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | A228 L232 | A228-V230 PolarHBondContact O-N 2.9Å; A228-V230 VanDerWaalsContact O-N 3.17Å; V230-L232 HydrophobicContact CG1-CD2 4.33Å; V230-L232 PolarHBondContact O-N 2.97Å; V230-L232 VanDerWaalsContact O-N 3.11Å | ||
| 231 | V | 29.3 | Very low | 32.1 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 67% | 0.667 | 79% | 0.788 | S | S | * | * | trans | -70.4 | 104.4 | 172.2 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | E229 I233 | E229-V231 VanDerWaalsContact C-N 3.35Å; E229-V231 PolarHBondContact O-N 3.49Å; V231-I233 HydrophobicContact CG1-CG1 4.31Å; V231-I233 PolarHBondContact O-N 2.97Å | ||
| 232 | L | 28.5 | Very low | 31.6 | Very low | 154 Ų | 154 | 129.2 Ų | 129.2 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -71.4 | 117.3 | 175.6 | -68.5 | 172 | 0 | 0 | 0 | 110.8 | V230 | V230-L232 HydrophobicContact CG1-CD2 4.33Å; V230-L232 PolarHBondContact O-N 2.97Å; V230-L232 VanDerWaalsContact O-N 3.11Å | ||
| 233 | I | 30.8 | Very low | 31.1 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -124 | 123.2 | 163 | -57 | -178.5 | 0 | 0 | 0 | 107.9 | V231 | V231-I233 HydrophobicContact CG1-CG1 4.31Å; V231-I233 PolarHBondContact O-N 2.97Å | ||
| 234 | S | 29.8 | Very low | 30.4 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -104.1 | 157.2 | 175.4 | -77.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 235 | P | 36.3 | Very low | 30.1 | Very low | 135 Ų | 135 | 136 Ų | 136 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -94.4 | 160.1 | -146.6 | 35.6 | -37.5 | 0 | 0 | 0 | 115.6 | ||||
| 236 | G | 26.7 | Very low | 30 | Very low | 65 Ų | 65 | 138.9 Ų | 138.9 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | trans | -157.4 | 95.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 237 | T | 30.2 | Very low | 30.5 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | 57.8 | 135.7 | 144.2 | 48 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 238 | D | 27.8 | Very low | 30.3 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | 86.6 | 85.8 | 139.2 | -61.2 | 2.2 | 0 | 0 | 0 | 123 | ||||
| 239 | T | 28.6 | Very low | 30.2 | Very low | 132 Ų | 132 | 142 Ų | 142 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | 38.1 | 119.3 | 119.2 | 61.4 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 240 | A | 28.2 | Very low | 30.2 | Very low | 107 Ų | 107 | 140 Ų | 140 | 88% | 0.884 | 79% | 0.787 | S | S | * | * | -155.8 | 144.8 | 124.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 241 | S | 29.7 | Very low | 30.3 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -117.5 | 144.8 | -178.6 | 69.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 242 | Y | 29.5 | Very low | 30.7 | Very low | 237 Ų | 237 | 144.8 Ų | 144.8 | 93% | 0.929 | 80% | 0.799 | S | S | * | * | trans | -139 | 157.8 | 155.4 | -94.2 | -75.8 | 0 | 0 | 0 | 112.3 | ||||
| 243 | R | 30.1 | Very low | 30.8 | Very low | 223 Ų | 223 | 142.4 Ų | 142.4 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -85.5 | 177.3 | -168.7 | -54.6 | 178.3 | 178.8 | 177.1 | -3.2 | 110.3 | ||||
| 244 | R | 28.4 | Very low | 30.7 | Very low | 209 Ų | 209 | 139.4 Ų | 139.4 | 79% | 0.789 | 79% | 0.789 | S | S | * | * | cis | -174.3 | 153.2 | 37.9 | -152 | -173.4 | -171.9 | 154.1 | 0.2 | 114.8 | ||||
| 245 | T | 29 | Very low | 30.6 | Very low | 121 Ų | 121 | 139 Ų | 139 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 67.5 | 119.5 | 148.8 | 29 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 246 | K | 31.9 | Very low | 30.2 | Very low | 183 Ų | 183 | 135.8 Ų | 135.8 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | -85.4 | 169.3 | 137.6 | -57.8 | -179.5 | 177.5 | -179.5 | 0 | 109.4 | ||||
| 247 | P | 42.3 | Very low | 30.6 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | -135 | 168.4 | 81.1 | 26.1 | -6.1 | 0 | 0 | 0 | 112.9 | |||||
| 248 | Q | 30.7 | Very low | 30.7 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | cis | 105.1 | 120.2 | 10.4 | -167.5 | 174.3 | 0.1 | 0 | 0 | 115.9 | ||||
| 249 | G | 29.9 | Very low | 30.9 | Very low | 70 Ų | 70 | 140.9 Ų | 140.9 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 128.5 | 148.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 250 | V | 28.4 | Very low | 30.8 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | cis | -144.2 | 160.1 | 1.1 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 251 | L | 29.9 | Very low | 30.7 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -80.1 | 169.3 | -179.2 | -60.1 | 76.2 | 0 | 0 | 0 | 113.3 | ||||
| 252 | Q | 37.2 | Very low | 30.7 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | 162.7 | 154.1 | 115.5 | -77.1 | -130.6 | 37.4 | 0 | 0 | 111.8 | |||||
| 253 | T | 31.3 | Very low | 30.7 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 63% | 0.632 | 78% | 0.783 | S | S | * | * | cis | -168.4 | 161.4 | -25.9 | -73.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 254 | A | 29.3 | Very low | 31.1 | Very low | 91 Ų | 91 | 128.2 Ų | 128.2 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | 76.3 | 160.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 255 | A | 28 | Very low | 31.1 | Very low | 100 Ų | 100 | 124.6 Ų | 124.6 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | cis | -174.9 | 153 | -34.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 256 | G | 26.5 | Very low | 31.1 | Very low | 68 Ų | 68 | 125.3 Ų | 125.3 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | 107.4 | 118.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 257 | S | 35.4 | Very low | 30.8 | Very low | 117 Ų | 117 | 120.1 Ų | 120.1 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | cis | 93.4 | 132.4 | 41.7 | 73.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 258 | R | 33.4 | Very low | 30.1 | Very low | 236 Ų | 236 | 125.3 Ų | 125.3 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | cis | -163.5 | 156.4 | 0 | -142.4 | 178.6 | 178.1 | -176.5 | -1.3 | 110.2 | ||||
| 259 | A | 30.4 | Very low | 30.1 | Very low | 84 Ų | 84 | 122.8 Ų | 122.8 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | trans | 20 | 148.6 | 148.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 260 | S | 27.3 | Very low | 29.9 | Very low | 108 Ų | 108 | 123.9 Ų | 123.9 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | 173.8 | -177.8 | 65.3 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 261 | S | 26.6 | Very low | 29.9 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | 88.4 | 164.7 | 167.5 | 81.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 262 | A | 28.5 | Very low | 29.9 | Very low | 93 Ų | 93 | 122.6 Ų | 122.6 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -139.4 | 177 | -155.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 263 | S | 30.7 | Very low | 29.5 | Very low | 102 Ų | 102 | 122 Ų | 122 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | -53 | 153.8 | 179.3 | -175.6 | 0 | 0 | 0 | 0 | 114.4 | N265 | S263-N265 PolarHBondContact OG-N 2.86Š| ||
| 264 | P | 38.7 | Very low | 29.4 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | -132.4 | 137.2 | 116.3 | 36.8 | -29.3 | 0 | 0 | 0 | 115.3 | |||||
| 265 | N | 28.1 | Very low | 29.4 | Very low | 133 Ų | 133 | 127.5 Ų | 127.5 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | 14.3 | 153.8 | 122.2 | -45.3 | -27.5 | 0 | 0 | 0 | 118.6 | S263 | S263-N265 PolarHBondContact OG-N 2.86Š| |||
| 266 | T | 28.9 | Very low | 29.4 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | cis | -166.2 | 138.8 | 32.4 | -33.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 267 | G | 25.3 | Very low | 29.5 | Very low | 73 Ų | 73 | 136.4 Ų | 136.4 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | 73 | 167.8 | 145.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 268 | R | 28.8 | Very low | 29.2 | Very low | 230 Ų | 230 | 137 Ų | 137 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | cis | -164.9 | 158.6 | -15.3 | -153.4 | -178.4 | -174.7 | -179.4 | 1.1 | 109.1 | ||||
| 269 | T | 29.3 | Very low | 29 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 63.5 | 150.4 | 168.7 | 40 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 270 | S | 26.5 | Very low | 28.8 | Very low | 94 Ų | 94 | 138.3 Ų | 138.3 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | cis | -165.5 | 152.3 | -7.3 | 42.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 271 | I | 28.4 | Very low | 28.9 | Very low | 167 Ų | 167 | 139 Ų | 139 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | 36.9 | 116.6 | 146.4 | -51.8 | 161.3 | 0 | 0 | 0 | 118.8 | ||||
| 272 | A | 29.5 | Very low | 28.8 | Very low | 96 Ų | 96 | 138 Ų | 138 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | -170.7 | 159.3 | 134.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 273 | N | 29.3 | Very low | 28.7 | Very low | 165 Ų | 165 | 142.9 Ų | 142.9 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | trans | -72.1 | 150.6 | -178.6 | -56.9 | -53.8 | 0 | 0 | 0 | 113.3 | ||||
| 274 | L | 28.5 | Very low | 28.5 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -90.1 | 105.7 | 166.1 | -175.7 | 78.3 | 0 | 0 | 0 | 109.5 | ||||
| 275 | D | 29.4 | Very low | 27.9 | Very low | 150 Ų | 150 | 150.1 Ų | 150.1 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -97.7 | 127 | 165.7 | -172.4 | 13.1 | 0 | 0 | 0 | 109.4 | ||||
| 276 | R | 28.3 | Very low | 28 | Very low | 184 Ų | 184 | 151.1 Ų | 151.1 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | trans | -123.1 | 75.6 | -170.4 | -173.4 | -176.7 | 174.9 | 147.2 | -4.9 | 110.5 | E278 | R276-E278 HydrophobicContact CG-CG 4.01Å; R276-E278 IonicContact CZ-OE1 3.12Å; R276-E278 IonicContact NE-OE1 2.58Å; R276-E278 PolarHBondContact NE-OE1 3.45Å; R276-E278 IonicContact NH2-OE1 2.8Å; R276-E278 PolarHBondContact NH2-OE1 3.14Å; R276-E278 PolarHBondContact O-N 3.05Å | ||
| 277 | M | 29.5 | Very low | 27.9 | Very low | 170 Ų | 170 | 149.7 Ų | 149.7 | 84% | 0.837 | 78% | 0.782 | S | S | * | * | trans | -78.8 | 98.7 | 166.9 | -174.9 | 68.9 | 82.2 | 0 | 0 | 109.8 | R279 | M277-R279 PolarHBondContact O-N 3.16Š| ||
| 278 | E | 28.9 | Very low | 28.1 | Very low | 131 Ų | 131 | 152.2 Ų | 152.2 | 61% | 0.612 | 78% | 0.782 | S | S | * | * | trans | -73.8 | 125.3 | 178.9 | -62.4 | -162.9 | 139.8 | 0 | 0 | 112.2 | R276 S280 | R276-E278 HydrophobicContact CG-CG 4.01Å; R276-E278 IonicContact CZ-OE1 3.12Å; R276-E278 IonicContact NE-OE1 2.58Å; R276-E278 PolarHBondContact NE-OE1 3.45Å; R276-E278 IonicContact NH2-OE1 2.8Å; R276-E278 PolarHBondContact NH2-OE1 3.14Å; R276-E278 PolarHBondContact O-N 3.05Å; E278-S280 PolarHBondContact O-N 3.31Å | ||
| 279 | R | 29 | Very low | 28.2 | Very low | 238 Ų | 238 | 147.2 Ų | 147.2 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | -85.1 | 89.8 | 168 | -71.7 | -179.9 | 175.6 | 157 | -0.7 | 109.2 | M277 V281 | M277-R279 PolarHBondContact O-N 3.16Å; R279-V281 PolarHBondContact O-N 3.19Å | ||
| 280 | S | 25.8 | Very low | 28.2 | Very low | 109 Ų | 109 | 151.6 Ų | 151.6 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 121.1 | 171.2 | -171 | 0 | 0 | 0 | 0 | 110.2 | E278 | E278-S280 PolarHBondContact O-N 3.31Š|
| 281 | V | 28.3 | Very low | 28.3 | Very low | 123 Ų | 123 | 154.5 Ų | 154.5 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 119.4 | 169.3 | 177.7 | 0 | 0 | 0 | 0 | 107.4 | R279 F283 | R279-V281 PolarHBondContact O-N 3.19Å; V281-F283 PolarHBondContact O-N 2.6Å |
| 282 | C | 25.2 | Very low | 28.4 | Very low | 105 Ų | 105 | 153.7 Ų | 153.7 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 117.2 | -171 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 283 | F | 25.6 | Very low | 28.5 | Very low | 196 Ų | 196 | 155 Ų | 155 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 122.4 | 158.1 | -79.5 | -92 | 0 | 0 | 0 | 109.3 | V281 Y285 | V281-F283 PolarHBondContact O-N 2.6Å; F283-Y285 PolarHBondContact O-N 2.72Å |
| 284 | I | 28.1 | Very low | 28.4 | Very low | 153 Ų | 153 | 155.9 Ų | 155.9 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -83.1 | 98.1 | -174.1 | -58.2 | 176 | 0 | 0 | 0 | 110.2 | I286 | I284-I286 HydrophobicContact CG2-CG1 4.46Š| ||
| 285 | Y | 25.7 | Very low | 28.4 | Very low | 210 Ų | 210 | 151.8 Ų | 151.8 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -74.9 | 124.9 | 158.6 | -98.5 | -101.3 | 0 | 0 | 0 | 109.6 | F283 T287 | F283-Y285 PolarHBondContact O-N 2.72Å; Y285-T287 PolarHBondContact O-N 2.99Å | ||
| 286 | I | 29.7 | Very low | 28.4 | Very low | 153 Ų | 153 | 154.1 Ų | 154.1 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -80.9 | 84.5 | 176 | -59.8 | 176.1 | 0 | 0 | 0 | 109.3 | I284 V288 | I284-I286 HydrophobicContact CG2-CG1 4.46Å; I286-V288 HydrophobicContact CG2-CG2 4.48Å | ||
| 287 | T | 26.3 | Very low | 28.4 | Very low | 107 Ų | 107 | 154.4 Ų | 154.4 | 66% | 0.656 | 79% | 0.789 | S | S | * | * | trans | -81.9 | 112.1 | 169.7 | -54.6 | 0 | 0 | 0 | 0 | 109.6 | Y285 I289 | Y285-T287 PolarHBondContact O-N 2.99Å; T287-I289 HydrophobicContact CG2-CD1 4.45Å; T287-I289 HydrophobicContact CG2-CG1 3.96Å; T287-I289 PolarHBondContact O-N 3.02Å | ||
| 288 | V | 30.5 | Very low | 28.4 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | trans | -77.1 | 93.9 | 177.5 | -178.2 | 0 | 0 | 0 | 0 | 110 | I286 | I286-V288 HydrophobicContact CG2-CG2 4.48Š| ||
| 289 | I | 31.3 | Very low | 28.3 | Very low | 125 Ų | 125 | 153.2 Ų | 153.2 | 64% | 0.641 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 126.8 | 172.7 | -61 | -179.5 | 0 | 0 | 0 | 109.3 | T287 L291 | T287-I289 HydrophobicContact CG2-CD1 4.45Å; T287-I289 HydrophobicContact CG2-CG1 3.96Å; T287-I289 PolarHBondContact O-N 3.02Å; I289-L291 HydrophobicContact CG2-CD2 4.29Å; I289-L291 PolarHBondContact O-N 2.98Å |
| 290 | Y | 28.3 | Very low | 28.3 | Very low | 222 Ų | 222 | 148.4 Ų | 148.4 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 117.2 | 166.8 | -83.3 | -95.8 | 0 | 0 | 0 | 109.7 | ||
| 291 | L | 28.7 | Very low | 28.3 | Very low | 155 Ų | 155 | 149 Ų | 149 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 118.2 | 171.6 | -71.1 | 176.6 | 0 | 0 | 0 | 110.8 | I289 | I289-L291 HydrophobicContact CG2-CD2 4.29Å; I289-L291 PolarHBondContact O-N 2.98Å |
| 292 | I | 30.2 | Very low | 28.2 | Very low | 149 Ų | 149 | 149.8 Ų | 149.8 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 129.3 | 166.9 | -59.9 | 171.1 | 0 | 0 | 0 | 107.4 | E294 | I292-E294 PolarHBondContact O-N 3.04Š|
| 293 | P | 31.8 | Very low | 28.2 | Very low | 124 Ų | 124 | 154.9 Ų | 154.9 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | trans | -83.7 | 89.8 | 178.7 | 32.7 | -33.6 | 0 | 0 | 0 | 111.6 | ||||
| 294 | E | 28.1 | Very low | 28.3 | Very low | 183 Ų | 183 | 149.1 Ų | 149.1 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 129.5 | 155.2 | -73.2 | -160 | 140.2 | 0 | 0 | 109.9 | I292 | I292-E294 PolarHBondContact O-N 3.04Š|
| 295 | G | 28.6 | Very low | 28.2 | Very low | 75 Ų | 75 | 151.7 Ų | 151.7 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81 | 127.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q297 | G295-Q297 PolarHBondContact O-N 3.19Š|
| 296 | Q | 29.4 | Very low | 28.2 | Very low | 200 Ų | 200 | 146.3 Ų | 146.3 | 94% | 0.935 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 127.7 | 173 | -69.7 | -174 | -59.1 | 0 | 0 | 111.4 | ||
| 297 | Q | 27.7 | Very low | 28 | Very low | 190 Ų | 190 | 146.4 Ų | 146.4 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 138.4 | 158.9 | -61.5 | -179.8 | 15.7 | 0 | 0 | 108.9 | G295 | G295-Q297 PolarHBondContact O-N 3.19Š|
| 298 | S | 29 | Very low | 27.9 | Very low | 124 Ų | 124 | 153 Ų | 153 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 139.2 | 166.8 | -170.5 | 0 | 0 | 0 | 0 | 110 | ||
| 299 | L | 26 | Very low | 27.6 | Very low | 152 Ų | 152 | 153.9 Ų | 153.9 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 126.8 | -166.6 | -167 | 81.7 | 0 | 0 | 0 | 111.9 | ||
| 300 | T | 29.4 | Very low | 27.2 | Very low | 137 Ų | 137 | 152.4 Ų | 152.4 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | trans | -133.2 | 133.5 | 160.7 | 40.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 301 | T | 25.6 | Very low | 27.1 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -101.4 | 113.9 | -162.7 | -57.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 302 | V | 27.3 | Very low | 26.8 | Very low | 139 Ų | 139 | 146.2 Ų | 146.2 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | trans | -138.4 | 133.3 | 162.3 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 303 | K | 26 | Very low | 26.6 | Very low | 211 Ų | 211 | 148.7 Ų | 148.7 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | -74.3 | 125 | 169 | -86.4 | 174.5 | 171.4 | 171.6 | 0 | 110 | ||||
| 304 | G | 26 | Very low | 26.3 | Very low | 75 Ų | 75 | 150.8 Ų | 150.8 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -152.2 | 153 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 305 | K | 26.5 | Very low | 26.1 | Very low | 208 Ų | 208 | 147.9 Ų | 147.9 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | trans | -120 | 161.4 | 175.5 | -74.8 | -176.8 | 176.1 | -178.4 | 0 | 110.1 | ||||
| 306 | S | 24.9 | Very low | 26 | Very low | 96 Ų | 96 | 156.1 Ų | 156.1 | 67% | 0.671 | 81% | 0.81 | S | S | * | * | trans | 83.7 | 152.4 | 149.9 | -112.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 307 | E | 26.6 | Very low | 25.9 | Very low | 156 Ų | 156 | 154 Ų | 154 | 73% | 0.729 | 80% | 0.801 | S | S | * | * | trans | 53.5 | 115.3 | 154.8 | -72.9 | 133 | -112.7 | 0 | 0 | 121.1 | ||||
| 308 | Y | 23.7 | Very low | 26 | Very low | 244 Ų | 244 | 152.1 Ų | 152.1 | 96% | 0.957 | 80% | 0.795 | S | S | * | * | trans | -98 | 107.7 | 157.3 | -110.8 | -92.6 | 0 | 0 | 0 | 109.3 | ||||
| 309 | I | 25.4 | Very low | 26.1 | Very low | 144 Ų | 144 | 153 Ų | 153 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | -139.8 | 120.5 | 173 | -66.7 | -173.7 | 0 | 0 | 0 | 111.9 | ||||
| 310 | S | 22.5 | Very low | 26.2 | Very low | 94 Ų | 94 | 153.5 Ų | 153.5 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | trans | 64 | 117.4 | 148.6 | -157.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 311 | N | 24.7 | Very low | 26 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | trans | 33.6 | 131.9 | 131.8 | -55.5 | -75.6 | 0 | 0 | 0 | 122.8 | ||||
| 312 | C | 24.1 | Very low | 26.2 | Very low | 122 Ų | 122 | 150.9 Ų | 150.9 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | -171.3 | 135.2 | 103.8 | -86.6 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 313 | Y | 25.1 | Very low | 26.4 | Very low | 201 Ų | 201 | 153.3 Ų | 153.3 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | 72.4 | 94.1 | 58.1 | -90.1 | -70 | 0 | 0 | 0 | 116.8 | |||||
| 314 | L | 24.8 | Very low | 26.5 | Very low | 168 Ų | 168 | 147.2 Ų | 147.2 | 88% | 0.88 | 76% | 0.763 | S | S | * | * | trans | -169.7 | 132.2 | 138.2 | -133.5 | 59.8 | 0 | 0 | 0 | 108.8 | ||||
| 315 | N | 24.9 | Very low | 26.7 | Very low | 122 Ų | 122 | 151 Ų | 151 | 65% | 0.652 | 77% | 0.765 | S | S | * | * | cis | 123 | 114.4 | 2.4 | -178.9 | 16.5 | 0 | 0 | 0 | 111.5 | ||||
| 316 | R | 26 | Very low | 26.7 | Very low | 247 Ų | 247 | 149.5 Ų | 149.5 | 93% | 0.932 | 76% | 0.759 | S | S | * | * | trans | -153.8 | 123.5 | 154.4 | -177.4 | 166.6 | -77.1 | -119.3 | 1.4 | 110.7 | ||||
| 317 | Q | 28.1 | Very low | 26.8 | Very low | 157 Ų | 157 | 151.5 Ų | 151.5 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -96.7 | 178.3 | 177.6 | -64.7 | -178.1 | -15 | 0 | 0 | 113.1 | ||||
| 318 | I | 30.5 | Very low | 26.7 | Very low | 150 Ų | 150 | 151.8 Ų | 151.8 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | 139.3 | 127 | 139 | -75.3 | 168.6 | 0 | 0 | 0 | 110.6 | ||||
| 319 | K | 29.6 | Very low | 26.9 | Very low | 143 Ų | 143 | 144.8 Ų | 144.8 | 62% | 0.622 | 75% | 0.752 | S | S | * | * | cis | -158.6 | 143.5 | -10.6 | -118.9 | -179.8 | 179.6 | -79.4 | 0 | 111.7 | ||||
| 320 | E | 29.6 | Very low | 26.9 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | trans | 50 | 134.6 | 135.4 | -72.6 | 159.7 | -164 | 0 | 0 | 124.6 | ||||
| 321 | G | 24.7 | Very low | 27 | Very low | 74 Ų | 74 | 149.2 Ų | 149.2 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | -159.7 | 12.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 322 | N | 29 | Very low | 27.1 | Very low | 130 Ų | 130 | 150.5 Ų | 150.5 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | 62.1 | 114.8 | 171.1 | -79 | -51 | 0 | 0 | 0 | 121.6 | ||||
| 323 | K | 31.2 | Very low | 27.6 | Very low | 189 Ų | 189 | 149.7 Ų | 149.7 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | 66.5 | 148.6 | 124.6 | -64.4 | 171.1 | -176.8 | 168.8 | 0 | 121 | |||||
| 324 | A | 29.8 | Very low | 27.6 | Very low | 83 Ų | 83 | 146 Ų | 146 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | cis | -170.7 | 177.6 | -16.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 325 | L | 28.9 | Very low | 27.7 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | 82.4 | 110 | -179.5 | -51.2 | 172.2 | 0 | 0 | 0 | 113.8 | ||||
| 326 | F | 26.8 | Very low | 27.7 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | 77 | 133 | 62 | -80.3 | -68 | 0 | 0 | 0 | 112.6 | |||||
| 327 | Q | 26.1 | Very low | 27.7 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | cis | -153.6 | 171.4 | 8 | -163.8 | 147.3 | -18.1 | 0 | 0 | 112.8 | ||||
| 328 | E | 26.3 | Very low | 27.5 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | trans | -11.1 | 161.3 | 167 | -64.1 | 163.6 | 131.6 | 0 | 0 | 121 | ||||
| 329 | A | 27.1 | Very low | 27.3 | Very low | 97 Ų | 97 | 144 Ų | 144 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | cis | -151.3 | 168.2 | 27 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 330 | L | 25.3 | Very low | 27.1 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -96.7 | 150.2 | 164.6 | -64.5 | 106.4 | 0 | 0 | 0 | 111.2 | ||||
| 331 | L | 24.2 | Very low | 27 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | 172.8 | 150.7 | 110.3 | -90.9 | 168.7 | 0 | 0 | 0 | 114.1 | |||||
| 332 | I | 26.4 | Very low | 27.1 | Very low | 153 Ų | 153 | 151.4 Ų | 151.4 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -100.9 | 144.1 | 169.4 | -55.4 | 154.7 | 0 | 0 | 0 | 104.4 | ||||
| 333 | P | 35.8 | Very low | 27.2 | Very low | 105 Ų | 105 | 151 Ų | 151 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | -166.5 | 173.2 | 76.1 | 42.8 | -18.1 | 0 | 0 | 0 | 122.7 | |||||
| 334 | T | 24.5 | Very low | 27.1 | Very low | 124 Ų | 124 | 147.7 Ų | 147.7 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | 78.8 | 140.3 | 139.3 | 39.4 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 335 | S | 26.6 | Very low | 27 | Very low | 102 Ų | 102 | 146.8 Ų | 146.8 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | 64.6 | 88.7 | 139 | 65 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 336 | F | 25 | Very low | 27 | Very low | 192 Ų | 192 | 150.9 Ų | 150.9 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | 22.6 | 106.1 | 106.5 | -153.2 | -87.8 | 0 | 0 | 0 | 118.9 | |||||
| 337 | W | 25.5 | Very low | 27.1 | Very low | 240 Ų | 240 | 152.9 Ų | 152.9 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | -162.3 | 165.8 | 125.6 | -126 | 2.7 | 0 | 0 | 0 | 113.5 | |||||
| 338 | S | 25.6 | Very low | 27.3 | Very low | 105 Ų | 105 | 152 Ų | 152 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -87.9 | 152.2 | -169.3 | -49 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 339 | L | 25.1 | Very low | 27.4 | Very low | 164 Ų | 164 | 151.1 Ų | 151.1 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -140.9 | 140.9 | 154.1 | -151 | 74.5 | 0 | 0 | 0 | 112.7 | ||||
| 340 | K | 26.2 | Very low | 27.7 | Very low | 188 Ų | 188 | 151.6 Ų | 151.6 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | trans | -90.8 | 134.3 | 173.6 | -69.3 | 173.7 | 175.6 | 173.8 | 0 | 110.4 | ||||
| 341 | N | 27.7 | Very low | 29 | Very low | 152 Ų | 152 | 148.6 Ų | 148.6 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -133.7 | 120.3 | 147.5 | -78.2 | -42.1 | 0 | 0 | 0 | 106.4 | ||||
| 342 | K | 26.3 | Very low | 29.4 | Very low | 193 Ų | 193 | 149.4 Ų | 149.4 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | cis | 78.1 | 67.6 | 25.4 | -151.1 | -171.2 | -173.4 | -173.8 | 0 | 113.9 | ||||
| 343 | S | 29.8 | Very low | 30.5 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -80 | 127 | 154.7 | 44.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 344 | S | 30.4 | Very low | 30.1 | Very low | 120 Ų | 120 | 148 Ų | 148 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -88.5 | 156.3 | 164.6 | 49.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 345 | G | 28 | Very low | 30.3 | Very low | 64 Ų | 64 | 147.5 Ų | 147.5 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | cis | 150.5 | 171.4 | -2.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 346 | R | 27.9 | Very low | 30.4 | Very low | 240 Ų | 240 | 151 Ų | 151 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | 70.5 | 125.7 | -172.6 | -48.5 | -179.6 | 176.6 | -125.4 | 2.8 | 112.5 | ||||
| 347 | R | 30 | Very low | 31.4 | Very low | 218 Ų | 218 | 147.2 Ų | 147.2 | 82% | 0.823 | 79% | 0.788 | S | S | * | * | cis | 60.9 | 131.6 | 49 | -59.4 | -155.6 | -64.4 | -155.4 | -1.5 | 111.5 | ||||
| 348 | D | 28.7 | Very low | 31.4 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 65% | 0.652 | 79% | 0.787 | S | S | * | * | cis | -153.3 | 169.4 | 37.9 | -80.8 | -69.2 | 0 | 0 | 0 | 114.6 | ||||
| 349 | N | 28.9 | Very low | 31.6 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | 79.2 | 108.5 | 145.6 | -70.1 | -20.7 | 0 | 0 | 0 | 125.3 | ||||
| 350 | S | 34.6 | Very low | 31.7 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | 93.1 | 166 | 110.3 | 98.5 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 351 | P | 52.8 | Low | 31.9 | Very low | 97 Ų | 97 | 140.7 Ų | 140.7 | 63% | 0.63 | 78% | 0.777 | S | S | * | * | -144 | -158.2 | -114.6 | 35.2 | -7.9 | 0 | 0 | 0 | 116.9 | |||||
| 352 | F | 31.5 | Very low | 32 | Very low | 187 Ų | 187 | 140.5 Ų | 140.5 | 82% | 0.82 | 77% | 0.772 | S | S | * | * | trans | 89.1 | 170 | 165.9 | -62.8 | -63.8 | 0 | 0 | 0 | 117.3 | ||||
| 353 | P | 48.9 | Very low | 32.2 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | -144.6 | 168.8 | -91.5 | 40.1 | -18.7 | 0 | 0 | 0 | 117.4 | |||||
| 354 | S | 28.4 | Very low | 32.2 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 163.1 | 156.9 | 152.8 | 51 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 355 | S | 28.7 | Very low | 32.1 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | cis | -166.2 | 167.2 | -28.7 | 59.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 356 | H | 29.3 | Very low | 32.1 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | -61.4 | 175.4 | 158.2 | -86.1 | -74.8 | 0 | 0 | 0 | 112 | ||||
| 357 | P | 46.1 | Very low | 32.1 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | cis | -128.1 | -162.9 | 13.6 | 35.7 | -11.8 | 0 | 0 | 0 | 112.6 | ||||
| 358 | E | 25.1 | Very low | 31.9 | Very low | 190 Ų | 190 | 135 Ų | 135 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | cis | -135.7 | -169 | 14.9 | -70.4 | -170 | 120.6 | 0 | 0 | 113.3 | ||||
| 359 | S | 28.4 | Very low | 31.9 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | trans | -144.5 | 140.5 | -171.4 | 173.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 360 | S | 28 | Very low | 31.8 | Very low | 96 Ų | 96 | 133.5 Ų | 133.5 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | trans | 179.7 | 125.3 | 151.5 | -87.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 361 | Q | 31.5 | Very low | 31.5 | Very low | 162 Ų | 162 | 133 Ų | 133 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | 69.4 | 138.4 | 89 | -66.6 | -174.3 | 30.5 | 0 | 0 | 114.1 | |||||
| 362 | Q | 29.2 | Very low | 30.4 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 70% | 0.696 | 74% | 0.739 | S | S | * | * | cis | -165.3 | 173.3 | 0.7 | -132.9 | -178.9 | 10.6 | 0 | 0 | 113.8 | ||||
| 363 | L | 30.7 | Very low | 30.3 | Very low | 135 Ų | 135 | 134 Ų | 134 | 71% | 0.707 | 74% | 0.74 | S | S | * | * | trans | 82.3 | 138.7 | 162 | -58.3 | 142.4 | 0 | 0 | 0 | 116.9 | ||||
| 364 | Q | 29 | Very low | 29.4 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | cis | -146.3 | 173.9 | 4.8 | -145 | 159.2 | 20.3 | 0 | 0 | 113.3 | ||||
| 365 | T | 28.1 | Very low | 29.5 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | trans | -58.8 | 153.8 | -176.9 | 38.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 366 | Q | 28.2 | Very low | 29.5 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 73% | 0.729 | 75% | 0.75 | S | S | * | * | 52.8 | 133.3 | 76.7 | -115.1 | -177.9 | -47.6 | 0 | 0 | 111.9 | |||||
| 367 | E | 27.1 | Very low | 29.7 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 62% | 0.621 | 75% | 0.754 | S | S | * | * | cis | -164.7 | 170.5 | 11.5 | -155.5 | 179.1 | -107.8 | 0 | 0 | 112 | ||||
| 368 | Q | 27.1 | Very low | 29.3 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 66% | 0.659 | 75% | 0.753 | S | S | * | * | trans | 71 | 138.4 | 156.8 | -54.5 | -157 | 20.5 | 0 | 0 | 124.7 | ||||
| 369 | N | 27.6 | Very low | 29.2 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | 76.5 | 142.6 | 138.4 | -65.9 | -19.9 | 0 | 0 | 0 | 126.1 | ||||
| 370 | S | 27.8 | Very low | 29.8 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | 61.1 | 94.3 | 144 | 56.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 371 | S | 27.9 | Very low | 29.8 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | 46.9 | 131.2 | 118 | 65.3 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 372 | N | 30 | Very low | 29.5 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | trans | 86.6 | 124.7 | 141.5 | -67.3 | -20.6 | 0 | 0 | 0 | 122.3 | ||||
| 373 | L | 30.3 | Very low | 29.5 | Very low | 160 Ų | 160 | 138 Ų | 138 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | trans | 55.9 | 138 | 155.1 | -78.8 | 73.2 | 0 | 0 | 0 | 117.3 | ||||
| 374 | V | 29.3 | Very low | 29.5 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | -151.5 | 170.8 | 55.7 | 162.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 375 | M | 30.5 | Very low | 29.7 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | trans | -68.7 | 158.5 | 177.3 | -60.4 | -141.5 | -59.6 | 0 | 0 | 115.8 | ||||
| 376 | G | 29.6 | Very low | 30.2 | Very low | 77 Ų | 77 | 142.2 Ų | 142.2 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | 162.6 | 117.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 377 | K | 31.6 | Very low | 30.4 | Very low | 208 Ų | 208 | 140.6 Ų | 140.6 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | trans | -87.6 | 174.6 | 156.9 | -75.3 | -176 | 175.1 | -178.2 | 0 | 108.9 | ||||
| 378 | P | 37.7 | Very low | 30.7 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | cis | -147 | 164.2 | 16 | 42.5 | -23.1 | 0 | 0 | 0 | 119.7 | ||||
| 379 | C | 23.4 | Very low | 31.2 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | 60.8 | 173.8 | 146.1 | -92.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 380 | P | 41.7 | Very low | 31.2 | Very low | 98 Ų | 98 | 146.9 Ų | 146.9 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | cis | -132.1 | -176.4 | -21 | 39 | -22.9 | 0 | 0 | 0 | 114.5 | ||||
| 381 | Q | 27.6 | Very low | 31.4 | Very low | 166 Ų | 166 | 147.1 Ų | 147.1 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | 66.1 | 152.6 | 153.3 | -78.7 | 176.6 | -16.3 | 0 | 0 | 118.2 | ||||
| 382 | M | 25.4 | Very low | 31.8 | Very low | 148 Ų | 148 | 147.8 Ų | 147.8 | 73% | 0.729 | 80% | 0.803 | S | S | * | * | cis | -139.5 | 179.2 | -9.3 | -97.4 | -87 | -174.7 | 0 | 0 | 106 | ||||
| 383 | E | 28.6 | Very low | 32.1 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | cis | -162.8 | 154.5 | 21.3 | -153.8 | 173.9 | -111.6 | 0 | 0 | 110.1 | ||||
| 384 | S | 30.3 | Very low | 32.5 | Very low | 99 Ų | 99 | 147.7 Ų | 147.7 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | 157 | 115.4 | 122 | 71.6 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 385 | K | 34.1 | Very low | 32.8 | Very low | 206 Ų | 206 | 150.2 Ų | 150.2 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | trans | 67.5 | 136.1 | 153.5 | -61.9 | 178.5 | -179.1 | 175.7 | 0 | 119 | ||||
| 386 | E | 37.6 | Very low | 33.1 | Very low | 195 Ų | 195 | 146.8 Ų | 146.8 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | -119.6 | 176.1 | -159.3 | -63.4 | -175 | 120 | 0 | 0 | 114.6 | ||||
| 387 | V | 33.7 | Very low | 33.3 | Very low | 122 Ų | 122 | 149.1 Ų | 149.1 | 74% | 0.739 | 80% | 0.802 | S | S | * | * | trans | -92.8 | 147.7 | -170.8 | 172.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 388 | F | 32.4 | Very low | 33.5 | Very low | 210 Ų | 210 | 149 Ų | 149 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -111.6 | 136.5 | 155.2 | -83.9 | -82 | 0 | 0 | 0 | 111.1 | ||||
| 389 | T | 37.4 | Very low | 33.2 | Very low | 117 Ų | 117 | 153.3 Ų | 153.3 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | trans | -102.3 | 146.5 | -171.9 | -51.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 390 | F | 29.2 | Very low | 33.6 | Very low | 210 Ų | 210 | 151 Ų | 151 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -131.7 | 149.6 | 158.3 | -113.4 | -86.1 | 0 | 0 | 0 | 112.2 | ||||
| 391 | S | 31.8 | Very low | 33.4 | Very low | 107 Ų | 107 | 152.6 Ų | 152.6 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -130 | 146.9 | -177.9 | 176.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 392 | S | 35.9 | Very low | 33.5 | Very low | 112 Ų | 112 | 150.5 Ų | 150.5 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -149 | 121.2 | 174 | 59.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 393 | Q | 35.7 | Very low | 34 | Very low | 178 Ų | 178 | 151.2 Ų | 151.2 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -100.7 | 155.4 | 155.9 | -79 | -171.2 | -4 | 0 | 0 | 109.1 | ||||
| 394 | P | 39.9 | Very low | 34 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -73.9 | 155.6 | -173.8 | 30.2 | -36 | 0 | 0 | 0 | 113.2 | ||||
| 395 | H | 34.9 | Very low | 34 | Very low | 190 Ų | 190 | 150.9 Ų | 150.9 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | trans | -125.3 | 140.1 | 171.2 | -91.3 | 8.5 | 0 | 0 | 0 | 111.8 | ||||
| 396 | S | 36.5 | Very low | 34 | Very low | 112 Ų | 112 | 149.5 Ų | 149.5 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -84.9 | 148.2 | 178.1 | -47.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 397 | P | 34.3 | Very low | 33.6 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -76.2 | 139.1 | 178.1 | 30.9 | -34.9 | 0 | 0 | 0 | 112.7 | ||||
| 398 | K | 34.7 | Very low | 33.7 | Very low | 206 Ų | 206 | 151.5 Ų | 151.5 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | trans | -151.5 | 131.5 | 162.4 | -74.9 | -170.2 | 178.1 | -179.8 | 0 | 110.7 | ||||
| 399 | R | 33 | Very low | 33.7 | Very low | 200 Ų | 200 | 150 Ų | 150 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | 155 | 147.8 | 109.2 | -169.4 | 167.5 | -161 | -142.4 | 4.6 | 112.6 | Q401 | R399-Q401 HydrophobicContact CG-CB 3.99Š| |||
| 400 | G | 31.2 | Very low | 33.4 | Very low | 76 Ų | 76 | 151.5 Ų | 151.5 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | 153.3 | 59.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 401 | Q | 36.8 | Very low | 33.6 | Very low | 133 Ų | 133 | 149.2 Ų | 149.2 | 62% | 0.621 | 80% | 0.798 | S | S | * | * | 77.1 | 90.3 | 62.3 | -167.2 | -178.4 | -15.1 | 0 | 0 | 114 | R399 | R399-Q401 HydrophobicContact CG-CB 3.99Š| |||
| 402 | S | 29.6 | Very low | 33.5 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -134.1 | 161.7 | 139 | 58.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 403 | Q | 35.5 | Very low | 33.4 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 76% | 0.757 | 81% | 0.805 | S | S | * | * | trans | -153.8 | 179.5 | -176.5 | -171 | 171.8 | -14.4 | 0 | 0 | 106.7 | ||||
| 404 | V | 28.7 | Very low | 33.2 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | 89.9 | 128.7 | -175.3 | -176.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 405 | D | 31.7 | Very low | 32.9 | Very low | 134 Ų | 134 | 148.7 Ų | 148.7 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | cis | -157.9 | -162.2 | -25.8 | -109.1 | -38.9 | 0 | 0 | 0 | 111.4 | ||||
| 406 | Q | 32.6 | Very low | 32.8 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -83.5 | 150.6 | -167.5 | -53.9 | 169.4 | -44.3 | 0 | 0 | 115.8 | ||||
| 407 | E | 30.3 | Very low | 32.6 | Very low | 174 Ų | 174 | 146.9 Ų | 146.9 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | 167.1 | 139.5 | 132.4 | -89.7 | -175.4 | 155.3 | 0 | 0 | 107.9 | ||||
| 408 | K | 35.9 | Very low | 32.4 | Very low | 184 Ų | 184 | 145.8 Ų | 145.8 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | cis | 93.3 | 53.1 | 29.6 | -163.6 | -123.5 | 167.1 | -173.3 | 0 | 116.1 | ||||
| 409 | M | 31.5 | Very low | 32.2 | Very low | 180 Ų | 180 | 142.6 Ų | 142.6 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | -150.5 | 146.4 | 147.5 | -53.8 | -175.9 | -160.9 | 0 | 0 | 107.5 | ||||
| 410 | D | 32.6 | Very low | 32.1 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | cis | 100.1 | 142.1 | 2 | -146.5 | 6.7 | 0 | 0 | 0 | 118.3 | ||||
| 411 | L | 32.9 | Very low | 32.3 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | 29.1 | 123.9 | 179.3 | -69.1 | 175.8 | 0 | 0 | 0 | 122.5 | ||||
| 412 | G | 30.2 | Very low | 31.9 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | 106.6 | 104.7 | 110.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 413 | D | 32.8 | Very low | 32.3 | Very low | 180 Ų | 180 | 139.8 Ų | 139.8 | 96% | 0.963 | 81% | 0.812 | S | S | * | * | trans | 54 | 156.5 | 153.8 | -72.3 | -32.8 | 0 | 0 | 0 | 122.2 | ||||
| 414 | G | 31.9 | Very low | 32.3 | Very low | 73 Ų | 73 | 142.4 Ų | 142.4 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | 172.3 | -15.5 | 179 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 415 | Q | 33 | Very low | 32.5 | Very low | 189 Ų | 189 | 145.6 Ų | 145.6 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | 54.6 | 110.5 | 159.7 | -172.2 | 171.1 | -20.1 | 0 | 0 | 122.2 | ||||
| 416 | A | 33.5 | Very low | 32.4 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 74% | 0.736 | 82% | 0.822 | S | S | * | * | trans | 69 | 153.2 | 146.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 417 | Q | 32.5 | Very low | 32.6 | Very low | 176 Ų | 176 | 143.4 Ų | 143.4 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | cis | -141.9 | 161.3 | 28.2 | -63.5 | 179.7 | -5.2 | 0 | 0 | 114.9 | ||||
| 418 | S | 29.9 | Very low | 34 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | trans | 59.6 | 143.9 | 154 | -68.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 419 | T | 30.6 | Very low | 33.8 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | cis | -170.3 | 145.5 | -29.4 | 22.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 420 | G | 29.9 | Very low | 34 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | trans | 112.5 | 65.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 421 | G | 36.7 | Very low | 35.2 | Very low | 86 Ų | 86 | 139.3 Ų | 139.3 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -152.1 | 122.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 422 | G | 28.6 | Very low | 35.4 | Very low | 77 Ų | 77 | 139.8 Ų | 139.8 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | 160.8 | 153.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 423 | R | 36.8 | Very low | 35.8 | Very low | 221 Ų | 221 | 143.2 Ų | 143.2 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | cis | -169.6 | 159.2 | -13.4 | -152 | 178.5 | -172.8 | -170.9 | 2.7 | 110.1 | ||||
| 424 | R | 35.1 | Very low | 35.9 | Very low | 217 Ų | 217 | 137.3 Ų | 137.3 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | trans | 105.9 | 156.5 | 155.5 | -59.5 | 158.1 | -167.9 | -78.9 | 3 | 117.4 | ||||
| 425 | Q | 34 | Very low | 36.3 | Very low | 193 Ų | 193 | 140 Ų | 140 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -116.6 | 177.3 | 171.5 | -62.9 | 168.8 | -41.7 | 0 | 0 | 108.5 | ||||
| 426 | A | 30 | Very low | 36.8 | Very low | 89 Ų | 89 | 140 Ų | 140 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | 88.4 | 94.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 427 | Q | 36.3 | Very low | 37.2 | Very low | 178 Ų | 178 | 141.6 Ų | 141.6 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | 64.3 | -164.5 | 132.4 | -54.4 | -154.6 | -81.3 | 0 | 0 | 118.4 | ||||
| 428 | P | 58.5 | Low | 37.6 | Very low | 99 Ų | 99 | 140.2 Ų | 140.2 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | -137.6 | 128.4 | -92.1 | 41.5 | -23 | 0 | 0 | 0 | 117.6 | |||||
| 429 | E | 33.1 | Very low | 38.6 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -148.8 | 128.8 | 160.9 | 23.1 | -86.2 | 125.8 | 0 | 0 | 108.3 | ||||
| 430 | D | 35.4 | Very low | 39.2 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | 76.4 | 78.5 | 72.8 | -91.9 | -11.9 | 0 | 0 | 0 | 113.9 | |||||
| 431 | D | 58.5 | Low | 39.5 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 95% | 0.952 | 79% | 0.794 | S | S | * | * | trans | -87.1 | 124.6 | 155.9 | -87.9 | -42.6 | 0 | 0 | 0 | 108.7 | ||||
| 432 | F | 35.5 | Very low | 39.3 | Very low | 171 Ų | 171 | 145 Ų | 145 | 75% | 0.75 | 79% | 0.785 | S | S | * | * | trans | -122.7 | 132.6 | -154.8 | -172.7 | -116.1 | 0 | 0 | 0 | 113.2 | ||||
| 433 | I | 39.3 | Very low | 39.2 | Very low | 140 Ų | 140 | 151.1 Ų | 151.1 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | trans | 65.5 | 134.5 | 174.3 | -56.3 | -65.2 | 0 | 0 | 0 | 114.2 | ||||
| 434 | G | 35.3 | Very low | 39.2 | Very low | 57 Ų | 57 | 146 Ų | 146 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | cis | 123.1 | 133.3 | 12 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 435 | S | 38.9 | Very low | 38.8 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | trans | -155.1 | 113.7 | 173 | -67.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 436 | E | 43.5 | Very low | 38.9 | Very low | 191 Ų | 191 | 142.4 Ų | 142.4 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | trans | -79 | 154.7 | 158.5 | 64.2 | -138.1 | 127.4 | 0 | 0 | 110.3 | ||||
| 437 | S | 41.9 | Very low | 39 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -170.7 | 146.8 | 154.2 | -170.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 438 | D | 41.7 | Very low | 38.5 | Very low | 146 Ų | 146 | 145.9 Ų | 145.9 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | trans | -88.5 | 169.1 | -174 | -82.7 | -48.7 | 0 | 0 | 0 | 115.9 | ||||
| 439 | E | 51.2 | Low | 37 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -1.2 | 140.7 | 141.6 | -52 | -71.1 | 142.3 | 0 | 0 | 119.4 | ||||
| 440 | D | 42.4 | Very low | 36.7 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | 174.6 | 163.8 | 126.9 | -101.7 | -8.4 | 0 | 0 | 0 | 111.8 | |||||
| 441 | V | 37.3 | Very low | 36.3 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 65% | 0.648 | 77% | 0.766 | S | S | * | * | -172.2 | 158.2 | -51.7 | 127 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 442 | S | 32.7 | Very low | 34.6 | Very low | 99 Ų | 99 | 142 Ų | 142 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | trans | 74.8 | 131.8 | 162.1 | 78.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 443 | Y | 26.4 | Very low | 34.5 | Very low | 206 Ų | 206 | 144.4 Ų | 144.4 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | -134.6 | 128.6 | 103.6 | -174 | -99.6 | 0 | 0 | 0 | 109.5 | K445 | Y443-K445 HydrophobicContact CE1-CB 4.25Š| |||
| 444 | I | 35.3 | Very low | 34.4 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 59% | 0.585 | 76% | 0.762 | S | S | * | * | trans | -103.5 | 141 | 179.4 | -73.5 | -73.2 | 0 | 0 | 0 | 109.4 | F446 | I444-F446 HydrophobicContact CG2-CD2 3.53Å; I444-F446 HydrophobicContact CG2-CE2 3.71Å | ||
| 445 | K | 28.2 | Very low | 33.9 | Very low | 178 Ų | 178 | 145.8 Ų | 145.8 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | trans | -141.4 | 103.8 | 157.3 | -163.8 | 168.3 | -174 | 175.6 | 0 | 112.4 | Y443 | Y443-K445 HydrophobicContact CE1-CB 4.25Š| ||
| 446 | F | 35.9 | Very low | 33.8 | Very low | 155 Ų | 155 | 146 Ų | 146 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | trans | -72.7 | 152.5 | 163.8 | -74.3 | -91 | 0 | 0 | 0 | 110.8 | I444 | I444-F446 HydrophobicContact CG2-CD2 3.53Å; I444-F446 HydrophobicContact CG2-CE2 3.71Å | ||
| 447 | H | 30.7 | Very low | 33.7 | Very low | 189 Ų | 189 | 142 Ų | 142 | 88% | 0.875 | 76% | 0.758 | S | S | * | * | -157.4 | 156.2 | 120.5 | -116.9 | -86 | 0 | 0 | 0 | 111.1 | |||||
| 448 | H | 27.8 | Very low | 33.1 | Very low | 152 Ų | 152 | 147.3 Ų | 147.3 | 70% | 0.704 | 76% | 0.759 | S | S | * | * | trans | -97.4 | -178.5 | -172.7 | -102.7 | -98.2 | 0 | 0 | 0 | 113.2 | ||||
| 449 | Q | 26.4 | Very low | 32.6 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | 82.7 | 144.9 | 161.1 | -76.9 | 160.2 | -0.5 | 0 | 0 | 116.4 | ||||
| 450 | S | 26.5 | Very low | 31.7 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | cis | -161.4 | 142.2 | 7.5 | 39.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 451 | V | 26 | Very low | 31.1 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | 65 | 143.1 | 138.2 | 179.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 452 | S | 24.4 | Very low | 30.8 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -154.4 | 163.5 | 25.7 | 3.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 453 | Y | 33 | Very low | 30.9 | Very low | 223 Ų | 223 | 141.1 Ų | 141.1 | 88% | 0.875 | 75% | 0.751 | S | S | * | * | trans | -88.5 | 154.7 | 146.7 | -67 | -85.8 | 0 | 0 | 0 | 109.1 | ||||
| 454 | P | 36.4 | Very low | 31.3 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | -147.1 | 145 | 95.1 | 37.2 | -20.7 | 0 | 0 | 0 | 116.9 | |||||
| 455 | S | 24.3 | Very low | 31.1 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | 37 | 134.9 | 128.3 | -43.2 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 456 | T | 38.7 | Very low | 31.5 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -59.7 | 165.4 | 148.3 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 457 | P | 40.4 | Very low | 31.1 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | -156.1 | 178.1 | 104.6 | 41.5 | -24.2 | 0 | 0 | 0 | 116.7 | |||||
| 458 | R | 29 | Very low | 31.2 | Very low | 233 Ų | 233 | 136.2 Ų | 136.2 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | trans | 77.6 | 145.2 | 161 | -63 | -171.2 | 173.6 | 166.5 | -2.2 | 118.3 | ||||
| 459 | S | 31.4 | Very low | 31.1 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | cis | -170.6 | 152.4 | -17.4 | -102.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 460 | A | 32.1 | Very low | 31.3 | Very low | 88 Ų | 88 | 135 Ų | 135 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | 66 | 148.1 | 152.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 461 | D | 29.8 | Very low | 32.6 | Very low | 142 Ų | 142 | 135.1 Ų | 135.1 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | cis | -164.5 | -170.1 | -19.4 | -115.7 | -73.5 | 0 | 0 | 0 | 106.7 | ||||
| 462 | T | 32.5 | Very low | 33 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | cis | -150.5 | 145.6 | 13.4 | -21 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 463 | S | 33.5 | Very low | 33.1 | Very low | 85 Ų | 85 | 136.7 Ų | 136.7 | 59% | 0.594 | 76% | 0.755 | S | S | * | * | trans | 31.7 | 118.2 | 146.8 | 64.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 464 | Q | 34.7 | Very low | 33.1 | Very low | 188 Ų | 188 | 131.2 Ų | 131.2 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | 166.8 | 161 | 112.1 | -88 | 174.6 | 97.2 | 0 | 0 | 111.8 | |||||
| 465 | H | 32 | Very low | 32.6 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | cis | -173.2 | 105.5 | -29.7 | 175.4 | -95.5 | 0 | 0 | 0 | 112.6 | ||||
| 466 | V | 35.8 | Very low | 32.8 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 62% | 0.624 | 76% | 0.755 | S | S | * | * | trans | 71.8 | 145.5 | 142.3 | 175 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 467 | Q | 28.8 | Very low | 33.5 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | cis | -150.3 | 137.6 | 19.7 | -148.6 | 148.4 | -19.9 | 0 | 0 | 116.4 | ||||
| 468 | L | 31.9 | Very low | 32.9 | Very low | 134 Ų | 134 | 139 Ų | 139 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | 45.2 | 142.4 | 144.2 | -87.6 | 57.2 | 0 | 0 | 0 | 129.2 | ||||
| 469 | E | 26 | Very low | 32.9 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | 88 | 101.8 | 133.2 | -76.9 | 178.3 | 165 | 0 | 0 | 126.6 | ||||
| 470 | N | 29.9 | Very low | 32.8 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | 42.8 | 164.2 | 99.4 | -82.2 | -0.1 | 0 | 0 | 0 | 123.2 | |||||
| 471 | P | 55.1 | Low | 33.7 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | cis | -145 | -177.4 | -31.1 | 40.4 | -21.7 | 0 | 0 | 0 | 116.8 | ||||
| 472 | L | 32.4 | Very low | 33.8 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 89% | 0.885 | 76% | 0.759 | S | S | * | * | trans | 66.3 | 129.9 | 144.7 | -84.7 | 161.6 | 0 | 0 | 0 | 123.9 | ||||
| 473 | A | 27.7 | Very low | 33.7 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | -170.8 | 171.6 | 138 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 474 | S | 33 | Very low | 34.1 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -140.6 | 157.3 | -172.1 | 55.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 475 | E | 26.5 | Very low | 33.8 | Very low | 185 Ų | 185 | 133.5 Ų | 133.5 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | 161.3 | 179.7 | 133.5 | -88.1 | -162.2 | 150.4 | 0 | 0 | 115.2 | ||||
| 476 | S | 27.4 | Very low | 33.6 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -170.2 | 176.2 | -174.3 | -76.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 477 | P | 53.1 | Low | 33.3 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | cis | -131.2 | -153 | -22.1 | 32.9 | -10.6 | 0 | 0 | 0 | 112 | ||||
| 478 | R | 27.8 | Very low | 33.2 | Very low | 222 Ų | 222 | 139.4 Ų | 139.4 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | 100 | 152 | 160.6 | -59.3 | 177.2 | -173.1 | -135 | 1.8 | 117.9 | ||||
| 479 | T | 28.5 | Very low | 33.1 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | cis | 179.7 | 126 | -44.3 | 38 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 480 | N | 30.3 | Very low | 33.2 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | 45.7 | -178 | 138.2 | -62 | -6.2 | 0 | 0 | 0 | 120.4 | ||||
| 481 | P | 52 | Low | 33 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | cis | -134.7 | 164.9 | -5.6 | 42.4 | -25.4 | 0 | 0 | 0 | 118.1 | ||||
| 482 | A | 30.7 | Very low | 31.6 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | 63.1 | 160.3 | 134.8 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 483 | S | 31.2 | Very low | 31.3 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -88.3 | 176.8 | -175.7 | -38.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 484 | P | 42.1 | Very low | 31.5 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | -147.3 | -175.9 | 96.1 | 40.2 | -24.3 | 0 | 0 | 0 | 115.4 | |||||
| 485 | S | 27 | Very low | 31.4 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -99.1 | 155.4 | -176.8 | 58.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 486 | R | 29.1 | Very low | 31.7 | Very low | 234 Ų | 234 | 141.7 Ų | 141.7 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -179.3 | 118.5 | 134.8 | -105.2 | 176.6 | -180 | -163.2 | 0.2 | 116.7 | ||||
| 487 | S | 28.3 | Very low | 31.7 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | 42.4 | 137.5 | 123.1 | 75.8 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 488 | R | 27.1 | Very low | 30.8 | Very low | 213 Ų | 213 | 142.6 Ų | 142.6 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 85.1 | 109.3 | 138.8 | -78 | -176.9 | 169.4 | 174.8 | 0.4 | 122.4 | ||||
| 489 | H | 29.5 | Very low | 30.9 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | 73.8 | 140.5 | 120.4 | -68.4 | -34.2 | 0 | 0 | 0 | 123.7 | |||||
| 490 | K | 28.2 | Very low | 31.2 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | trans | 65.3 | 107.4 | 147 | -71 | 175.5 | -179.8 | -175.8 | 0 | 116.8 | ||||
| 491 | S | 26.7 | Very low | 31.3 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | 74.5 | 113.9 | 65.2 | 76.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 492 | G | 25.3 | Very low | 30.6 | Very low | 77 Ų | 77 | 139.3 Ų | 139.3 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | 164.9 | 92.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 493 | K | 26.2 | Very low | 30.7 | Very low | 205 Ų | 205 | 142.3 Ų | 142.3 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | trans | 23.8 | 143.1 | 141.5 | -65.3 | -178.6 | 172.2 | -177 | 0 | 122.3 | ||||
| 494 | A | 30.4 | Very low | 30.6 | Very low | 80 Ų | 80 | 141.8 Ų | 141.8 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | trans | 73.6 | 150 | 135.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 495 | D | 32.9 | Very low | 30 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | cis | -165.6 | 178.2 | -15.3 | -105.4 | -31.8 | 0 | 0 | 0 | 109.2 | ||||
| 496 | K | 31.6 | Very low | 30 | Very low | 203 Ų | 203 | 144 Ų | 144 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | trans | 82.8 | 141.9 | 167.1 | -53.6 | 174.2 | -170.4 | 174.4 | 0 | 114.6 | ||||
| 497 | S | 28.6 | Very low | 29.9 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | cis | -162.8 | 149.5 | 1.4 | 39.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 498 | V | 32.4 | Very low | 29.9 | Very low | 139 Ų | 139 | 142 Ų | 142 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | trans | 53.5 | 120 | 138.1 | 176.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 499 | S | 30.3 | Very low | 29.9 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | cis | -164.5 | -168.5 | 20 | -147.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 500 | I | 34.9 | Very low | 29.8 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 68% | 0.677 | 76% | 0.762 | S | S | * | * | cis | -154.1 | 171.3 | 4.7 | -157.6 | 157 | 0 | 0 | 0 | 111.2 | ||||
| 501 | H | 33.8 | Very low | 30.9 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 63% | 0.625 | 76% | 0.755 | S | S | * | * | trans | 18.5 | 148.3 | 157.6 | -71.1 | -176.9 | 0 | 0 | 0 | 123.4 | ||||
| 502 | K | 35.7 | Very low | 30.9 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 74% | 0.735 | 75% | 0.753 | S | S | * | * | cis | 171.4 | 152.6 | -16.5 | -106.7 | 168.2 | -172.2 | 161 | 0 | 104.6 | ||||
| 503 | K | 34.5 | Very low | 31.1 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | cis | -136.8 | 167.1 | -3.4 | -109.6 | -167.1 | 164.1 | -176.7 | 0 | 106.1 | ||||
| 504 | C | 29.2 | Very low | 31.4 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 69% | 0.689 | 75% | 0.753 | S | S | * | * | cis | 71.1 | 145.3 | 48.7 | -39.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 505 | I | 28.6 | Very low | 32 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | cis | -142.8 | 153.4 | 19.4 | -56.7 | 168.6 | 0 | 0 | 0 | 108.2 | ||||
| 506 | L | 27 | Very low | 31.8 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | cis | 138.9 | 50 | -14.5 | -167.7 | 52.1 | 0 | 0 | 0 | 116.2 | ||||
| 507 | S | 26.8 | Very low | 31.7 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | trans | 80.3 | 157.1 | 144.3 | 82.7 | 0 | 0 | 0 | 0 | 124 | ||||
| 508 | K | 27.7 | Very low | 31.8 | Very low | 194 Ų | 194 | 135.4 Ų | 135.4 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | 76.6 | 118 | 154.8 | -65.2 | 174.9 | -177.3 | 179.4 | 0 | 122.1 | ||||
| 509 | S | 26.9 | Very low | 31.8 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 90% | 0.895 | 75% | 0.754 | S | S | * | * | -178.5 | 178.3 | 110.4 | 47.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 510 | K | 28.6 | Very low | 32.4 | Very low | 197 Ų | 197 | 136.2 Ų | 136.2 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | -121.4 | 174.3 | -179.4 | -95.1 | -170.4 | 177.3 | -169.9 | 0 | 108.2 | ||||
| 511 | P | 51.7 | Low | 32.1 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 62% | 0.623 | 77% | 0.766 | S | S | * | * | cis | -134.8 | -153.3 | -21 | 28.4 | -2.5 | 0 | 0 | 0 | 112.1 | ||||
| 512 | D | 25.8 | Very low | 31.8 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | 95.9 | 147.6 | 148.4 | -57.4 | -27.6 | 0 | 0 | 0 | 122.9 | ||||
| 513 | S | 30 | Very low | 31.5 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | 70.5 | 115.1 | 166.1 | 55.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 514 | E | 31.3 | Very low | 31.2 | Very low | 181 Ų | 181 | 128.5 Ų | 128.5 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -73.5 | 174.2 | 144.5 | -91.5 | -163 | -160.5 | 0 | 0 | 110.6 | ||||
| 515 | P | 44.9 | Very low | 31.2 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | cis | -146.6 | -174 | 23 | 46.9 | -27.8 | 0 | 0 | 0 | 118.2 | ||||
| 516 | L | 27.9 | Very low | 31.1 | Very low | 157 Ų | 157 | 127 Ų | 127 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | 58.9 | 116.4 | 153 | -71.1 | 167.5 | 0 | 0 | 0 | 120.8 | ||||
| 517 | S | 29 | Very low | 31.2 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | 156.1 | 163.1 | 98 | 59.8 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 518 | A | 30 | Very low | 31.2 | Very low | 95 Ų | 95 | 131.7 Ų | 131.7 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 59.1 | 103.4 | 153 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 519 | V | 32.7 | Very low | 31.3 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -77.8 | 139.5 | 154 | 162.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 520 | P | 43.7 | Very low | 31.3 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | -147.4 | 135.7 | 103.9 | 35.2 | -16.7 | 0 | 0 | 0 | 118.1 | |||||
| 521 | A | 28.6 | Very low | 31.2 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | 32.2 | 132.1 | 140.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 522 | G | 27.7 | Very low | 30.1 | Very low | 76 Ų | 76 | 128.7 Ų | 128.7 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | -172.8 | 37.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 523 | I | 28.4 | Very low | 30.3 | Very low | 179 Ų | 179 | 128 Ų | 128 | 92% | 0.918 | 78% | 0.782 | S | S | * | * | trans | 25.9 | 114 | 159.3 | -54.4 | 172.5 | 0 | 0 | 0 | 118.5 | ||||
| 524 | G | 27.8 | Very low | 30.1 | Very low | 77 Ų | 77 | 130 Ų | 130 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -167.6 | 113.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 525 | S | 29.3 | Very low | 30.2 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -73.4 | 159.2 | 171.9 | -146.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 526 | S | 28.1 | Very low | 29.3 | Very low | 100 Ų | 100 | 130 Ų | 130 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | cis | -169 | 173.8 | 28.3 | -152.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 527 | R | 29.4 | Very low | 29.3 | Very low | 209 Ų | 209 | 128.8 Ų | 128.8 | 79% | 0.789 | 78% | 0.779 | S | S | * | * | trans | 82.3 | 109.1 | 159.6 | -57.7 | -163.8 | 101.5 | 128.8 | 6.9 | 122 | ||||
| 528 | D | 26.1 | Very low | 29.2 | Very low | 121 Ų | 121 | 129 Ų | 129 | 65% | 0.647 | 78% | 0.78 | S | S | * | * | 72.1 | 80.1 | 118.3 | -47.8 | -16.9 | 0 | 0 | 0 | 120.3 | |||||
| 529 | S | 30.5 | Very low | 29 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | 177 | 113.9 | 112.7 | 38 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 530 | Y | 25.3 | Very low | 28.7 | Very low | 224 Ų | 224 | 133 Ų | 133 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | trans | -118.7 | 141.1 | 162.4 | -66.6 | -94.7 | 0 | 0 | 0 | 106.9 | ||||
| 531 | T | 27.6 | Very low | 27.9 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | cis | 78.3 | 126.1 | 33.1 | 73.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 532 | S | 28.4 | Very low | 27.9 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | 64.6 | 131.7 | 158.9 | -92.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 533 | D | 30 | Very low | 27.9 | Very low | 130 Ų | 130 | 140 Ų | 140 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | trans | 57 | 109.6 | 130.2 | -51.6 | -41.9 | 0 | 0 | 0 | 122.3 | ||||
| 534 | L | 26 | Very low | 27.8 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | -135.5 | 126.6 | 136.5 | -66.1 | 176 | 0 | 0 | 0 | 105.9 | ||||
| 535 | L | 33.7 | Very low | 27.7 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | cis | 57.8 | 69.4 | 36.3 | -85.4 | 173.6 | 0 | 0 | 0 | 114.1 | ||||
| 536 | T | 25.8 | Very low | 27.5 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -96.9 | 105.2 | 166.8 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 537 | I | 27.4 | Very low | 27.7 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 67% | 0.667 | 78% | 0.777 | S | S | * | * | trans | -83.2 | 123.4 | 166.4 | -63.7 | 169.1 | 0 | 0 | 0 | 107.8 | H539 | I537-H539 PolarHBondContact O-N 2.9Å; I537-H539 VanDerWaalsContact O-N 3.15Å | ||
| 538 | C | 26.4 | Very low | 27.4 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -74.4 | 104.1 | 172.4 | -67.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 539 | H | 25.3 | Very low | 27.3 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 141 | 176.8 | -97.7 | -167.6 | 0 | 0 | 0 | 113 | I537 | I537-H539 PolarHBondContact O-N 2.9Å; I537-H539 VanDerWaalsContact O-N 3.15Å |
| 540 | I | 27.3 | Very low | 27.1 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 127.7 | 168.5 | -63.6 | 167.6 | 0 | 0 | 0 | 109 | K542 | I540-K542 HydrophobicContact CG2-CG 4.09Š|
| 541 | V | 27.7 | Very low | 27 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 131.5 | 166.1 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 542 | K | 28.1 | Very low | 27 | Very low | 193 Ų | 193 | 145.6 Ų | 145.6 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | -131.3 | 100.7 | 178.6 | -93.8 | -171.7 | 175.5 | -178 | 0 | 112.3 | I540 | I540-K542 HydrophobicContact CG2-CG 4.09Š| ||
| 543 | S | 28.2 | Very low | 27 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -173.9 | 128.8 | 159.2 | 43 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 544 | G | 24.9 | Very low | 26.9 | Very low | 72 Ų | 72 | 148 Ų | 148 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | cis | 171.4 | 153.5 | -14.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 545 | K | 25.9 | Very low | 27.1 | Very low | 204 Ų | 204 | 149.1 Ų | 149.1 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | trans | 66.8 | 105.2 | 171.2 | -55.9 | 179.8 | 179.1 | -179.7 | 0 | 116.4 | ||||
| 546 | L | 26.2 | Very low | 26.6 | Very low | 151 Ų | 151 | 153.1 Ų | 153.1 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | 62.2 | 146.3 | 83.9 | -71.6 | 175.3 | 0 | 0 | 0 | 115 | F548 | L546-F548 HydrophobicContact CD2-CB 4.32Š| |||
| 547 | P | 32.8 | Very low | 26.8 | Very low | 119 Ų | 119 | 153.2 Ų | 153.2 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | cis | -105.6 | 155.2 | 17.2 | 38.3 | -29.6 | 0 | 0 | 0 | 113.9 | ||||
| 548 | F | 22.4 | Very low | 26.9 | Very low | 163 Ų | 163 | 155 Ų | 155 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | 66.3 | 97.1 | 58.9 | -157.7 | -82.3 | 0 | 0 | 0 | 114.4 | L546 T550 | L546-F548 HydrophobicContact CD2-CB 4.32Å; F548-T550 HydrophobicContact CD1-CG2 4.48Å; F548-T550 HydrophobicContact CE1-CG2 3.62Å; F548-T550 HydrophobicContact CZ-CG2 3.84Å | |||
| 549 | F | 23.5 | Very low | 26.9 | Very low | 206 Ų | 206 | 156.1 Ų | 156.1 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | trans | -142.4 | 152.1 | 157.3 | -140.3 | -91.9 | 0 | 0 | 0 | 109.5 | ||||
| 550 | T | 26.8 | Very low | 27.1 | Very low | 79 Ų | 79 | 154.8 Ų | 154.8 | 49% | 0.485 | 77% | 0.774 | S | S | . | * | trans | -115.4 | 137.6 | -165.9 | 52.5 | 0 | 0 | 0 | 0 | 113.2 | F548 | F548-T550 HydrophobicContact CD1-CG2 4.48Å; F548-T550 HydrophobicContact CE1-CG2 3.62Å; F548-T550 HydrophobicContact CZ-CG2 3.84Å | ||
| 551 | M | 23.2 | Very low | 27.1 | Very low | 154 Ų | 154 | 156.7 Ų | 156.7 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | 68.8 | 159.4 | 159.2 | -140.1 | 144.2 | 63.1 | 0 | 0 | 111.9 | ||||
| 552 | W | 28 | Very low | 27 | Very low | 225 Ų | 225 | 153.6 Ų | 153.6 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | cis | -142.4 | 174.1 | 33.5 | -86.3 | 75 | 0 | 0 | 0 | 113.2 | ||||
| 553 | D | 27.3 | Very low | 27.1 | Very low | 126 Ų | 126 | 153 Ų | 153 | 67% | 0.674 | 77% | 0.773 | S | S | * | * | trans | -86.1 | 170.9 | 174.8 | -156.4 | -21.7 | 0 | 0 | 0 | 112.1 | ||||
| 554 | H | 27.8 | Very low | 27.2 | Very low | 154 Ų | 154 | 155.3 Ų | 155.3 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | 76.1 | 105.7 | 162.7 | -53.7 | -13.9 | 0 | 0 | 0 | 119.5 | ||||
| 555 | K | 30.3 | Very low | 27.4 | Very low | 185 Ų | 185 | 158.5 Ų | 158.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | 21.1 | 117.4 | 118.1 | 177.2 | -167.3 | 176.9 | -179 | 0 | 117 | |||||
| 556 | W | 23.5 | Very low | 27.7 | Very low | 239 Ų | 239 | 156 Ų | 156 | 91% | 0.905 | 76% | 0.762 | S | S | * | * | trans | -152.5 | 158.9 | 135.5 | -110.6 | 95.3 | 0 | 0 | 0 | 112.9 | ||||
| 557 | I | 30.8 | Very low | 27.9 | Very low | 128 Ų | 128 | 155.3 Ų | 155.3 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | trans | -86 | 146.5 | 174.5 | -67.3 | 160.7 | 0 | 0 | 0 | 109.4 | ||||
| 558 | I | 29.2 | Very low | 27.7 | Very low | 167 Ų | 167 | 156 Ų | 156 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | trans | -159.5 | 146.5 | 139.4 | -99.4 | 144.7 | 0 | 0 | 0 | 109.5 | ||||
| 559 | N | 26 | Very low | 28 | Very low | 144 Ų | 144 | 158.5 Ų | 158.5 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | -134 | 126.4 | 176.2 | 165.8 | 10.4 | 0 | 0 | 0 | 106.6 | ||||
| 560 | L | 29.5 | Very low | 28.1 | Very low | 141 Ų | 141 | 155.5 Ų | 155.5 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | -173.3 | 142.6 | 161 | -103.2 | 153.2 | 0 | 0 | 0 | 112.3 | ||||
| 561 | K | 27 | Very low | 28.3 | Very low | 189 Ų | 189 | 157.4 Ų | 157.4 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -8.4 | 154.2 | 154.1 | -56.1 | 169 | -173.8 | -174.6 | 0 | 118 | ||||
| 562 | G | 25.6 | Very low | 28.5 | Very low | 69 Ų | 69 | 159 Ų | 159 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | cis | 149.5 | -172.8 | 12.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 563 | E | 29.6 | Very low | 28.4 | Very low | 180 Ų | 180 | 153.4 Ų | 153.4 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | trans | 67.4 | 86.4 | 166.7 | -70.3 | 164.7 | -150.9 | 0 | 0 | 119.2 | ||||
| 564 | E | 30.3 | Very low | 28.5 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | 56.8 | 152.3 | 111.7 | -65.1 | 176.2 | -178.3 | 0 | 0 | 124.3 | |||||
| 565 | N | 30.3 | Very low | 28.7 | Very low | 139 Ų | 139 | 152.3 Ų | 152.3 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | 91.1 | 153.5 | 160.2 | -50.5 | -62.5 | 0 | 0 | 0 | 119.8 | ||||
| 566 | E | 31.1 | Very low | 28.8 | Very low | 150 Ų | 150 | 155 Ų | 155 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | cis | -167.3 | 131.3 | -48 | -144.8 | -166.1 | 166.6 | 0 | 0 | 110 | ||||
| 567 | I | 31 | Very low | 29.5 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | trans | 63.6 | 159.1 | 149.8 | -82.4 | 177.3 | 0 | 0 | 0 | 117.7 | ||||
| 568 | L | 29.1 | Very low | 29.7 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | cis | -137.4 | 146.1 | 4 | -151.9 | 140.6 | 0 | 0 | 0 | 113 | ||||
| 569 | R | 27.7 | Very low | 29.9 | Very low | 216 Ų | 216 | 148.8 Ų | 148.8 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | trans | -25.3 | 157.3 | 168.4 | -26.6 | 164.4 | -154.8 | -151.8 | 1.3 | 120.5 | ||||
| 570 | T | 26.7 | Very low | 30.4 | Very low | 144 Ų | 144 | 150 Ų | 150 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | -132.2 | 140.9 | 127.5 | -53.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 571 | V | 29.4 | Very low | 30.6 | Very low | 118 Ų | 118 | 152.5 Ų | 152.5 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | trans | -48.2 | 138.1 | -178 | 172.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 572 | E | 27.3 | Very low | 31 | Very low | 188 Ų | 188 | 147.8 Ų | 147.8 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | -164.6 | 163.2 | 106.1 | -152.6 | 148.3 | -113.3 | 0 | 0 | 112.3 | |||||
| 573 | S | 27 | Very low | 31.4 | Very low | 107 Ų | 107 | 150.2 Ų | 150.2 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -138.2 | 137.1 | -161.3 | -60.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 574 | S | 28.6 | Very low | 31.7 | Very low | 104 Ų | 104 | 147.9 Ų | 147.9 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 169.1 | 171.3 | 135 | 49.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 575 | N | 32.9 | Very low | 32 | Very low | 154 Ų | 154 | 151.4 Ų | 151.4 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | 76.1 | 49.1 | 159.6 | -56.3 | -24.2 | 0 | 0 | 0 | 119.9 | ||||
| 576 | Y | 32.1 | Very low | 32.1 | Very low | 240 Ų | 240 | 151.8 Ų | 151.8 | 94% | 0.941 | 81% | 0.807 | S | S | * | * | trans | -99.3 | 79.2 | 153.4 | -171.4 | -92 | 0 | 0 | 0 | 110.8 | ||||
| 577 | A | 37.7 | Very low | 32.6 | Very low | 90 Ų | 90 | 149.2 Ų | 149.2 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | trans | -178.5 | 73.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 578 | S | 35.3 | Very low | 33.5 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -170 | 69.9 | 163.1 | -86.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 579 | Q | 34.7 | Very low | 34.5 | Very low | 191 Ų | 191 | 150.5 Ų | 150.5 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -156.1 | 12.1 | 165.6 | -122.7 | 162.5 | 43.6 | 0 | 0 | 117 | ||||
| 580 | L | 35.8 | Very low | 36.2 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -102.9 | 24.6 | -179.3 | -74.2 | 172.2 | 0 | 0 | 0 | 114.6 | ||
| 581 | H | 32.6 | Very low | 38.2 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 89% | 0.894 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -133.2 | 36 | -177.6 | -73.5 | -54.7 | 0 | 0 | 0 | 113.9 | ||
| 582 | A | 35.7 | Very low | 40 | Very low | 90 Ų | 90 | 144.7 Ų | 144.7 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -136.4 | 34.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 583 | S | 34.5 | Very low | 42.4 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -154.6 | 76 | 169.2 | -73.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 584 | T | 35.6 | Very low | 44.7 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | -153.8 | 80.3 | 172.1 | -43.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 585 | R | 37.5 | Very low | 47.2 | Very low | 240 Ų | 240 | 143.5 Ų | 143.5 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | trans | -176.7 | 151.9 | 159.9 | -102.9 | 151.2 | -168.1 | -178.5 | 3.8 | 109.9 | ||||
| 586 | M | 32 | Very low | 49.5 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | trans | 79.9 | 65.6 | -175.8 | -43.9 | -36.2 | -62.3 | 0 | 0 | 115.7 | ||||
| 587 | C | 41.8 | Very low | 51.8 | Low | 96 Ų | 96 | 135.9 Ų | 135.9 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | trans | -123.1 | 118.7 | 143.9 | -91.8 | 0 | 0 | 0 | 0 | 106.4 | D590 | C587-D590 WeakPolarHBondContact CB-OD2 3.16Å; C587-D590 PolarHBondContact SG-OD2 2.75Å | ||
| 588 | E | 50.3 | Low | 53.7 | Low | 157 Ų | 157 | 134 Ų | 134 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | trans | -134.8 | 1 | 172.4 | -67 | -176 | 143.1 | 0 | 0 | 112.1 | ||||
| 589 | D | 50.5 | Low | 55.9 | Low | 140 Ų | 140 | 130.6 Ų | 130.6 | 75% | 0.749 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -90.1 | -20 | 175.1 | -72.7 | -18.4 | 0 | 0 | 0 | 113.1 | D591 E592 | D589-D591 VanDerWaalsContact C-N 3.3Å; D589-D591 PolarHBondContact O-N 3.44Å; D589-E592 PolarHBondContact O-N 2.79Å |
| 590 | D | 61.7 | Low | 58.1 | Low | 91 Ų | 91 | 126.5 Ų | 126.5 | 49% | 0.487 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -63.3 | -31.3 | -171.7 | -65.7 | -36.3 | 0 | 0 | 0 | 113.4 | C587 E592 L594 | C587-D590 WeakPolarHBondContact CB-OD2 3.16Å; C587-D590 PolarHBondContact SG-OD2 2.75Å; D590-E592 VanDerWaalsContact C-N 3.32Å; D590-E592 PolarHBondContact O-N 2.66Å; D590-L594 VanDerWaalsContact O-CG 3.3Å; D590-L594 WeakPolarHBondContact O-CG 3.36Å; D590-L594 PolarHBondContact O-N 3.39Å |
| 591 | D | 68.5 | Low | 59.9 | Low | 121 Ų | 121 | 123.2 Ų | 123.2 | 65% | 0.647 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.9 | -31.5 | -176.6 | -77.6 | -36.3 | 0 | 0 | 0 | 112.5 | D589 Q595 | D589-D591 VanDerWaalsContact C-N 3.3Å; D589-D591 PolarHBondContact O-N 3.44Å; D591-Q595 WeakPolarHBondContact O-CB 3.26Å; D591-Q595 PolarHBondContact O-N 2.82Å |
| 592 | E | 69 | Low | 61.9 | Low | 144 Ų | 144 | 120.7 Ų | 120.7 | 67% | 0.673 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -76.9 | -37.8 | -177.3 | -59.5 | -164 | 161 | 0 | 0 | 112 | D589 D590 Q595 M596 | D589-E592 PolarHBondContact O-N 2.79Å; D590-E592 VanDerWaalsContact C-N 3.32Å; D590-E592 PolarHBondContact O-N 2.66Å; E592-Q595 PolarHBondContact O-N 3.45Å; E592-M596 PolarHBondContact O-N 2.95Å |
| 593 | E | 76.3 | Confident | 63.6 | Low | 128 Ų | 128 | 122.4 Ų | 122.4 | 60% | 0.598 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.6 | -43.9 | 172.1 | -173.6 | 174.8 | 170.7 | 0 | 0 | 110.9 | Q595 M596 L597 | E593-Q595 VanDerWaalsContact C-N 3.31Å; E593-Q595 PolarHBondContact O-N 3.05Å; E593-M596 WeakPolarHBondContact O-CB 3.39Å; E593-M596 PolarHBondContact O-N 3.07Å; E593-M596 VanDerWaalsContact O-N 3.13Å; E593-L597 HydrophobicContact CG-CD1 4.17Å; E593-L597 WeakPolarHBondContact O-CG 3.49Å; E593-L597 PolarHBondContact O-N 3.33Å |
| 594 | L | 76.9 | Confident | 64.9 | Low | 106 Ų | 106 | 122.3 Ų | 122.3 | 56% | 0.555 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.1 | -39.5 | 175.6 | -71.4 | 171.6 | 0 | 0 | 0 | 112.1 | D590 A598 | D590-L594 VanDerWaalsContact O-CG 3.3Å; D590-L594 WeakPolarHBondContact O-CG 3.36Å; D590-L594 PolarHBondContact O-N 3.39Å; L594-A598 VanDerWaalsContact O-CB 3.29Å; L594-A598 WeakPolarHBondContact O-CB 3.38Å; L594-A598 PolarHBondContact O-N 3.13Å |
| 595 | Q | 79.3 | Confident | 66 | Low | 140 Ų | 140 | 119.4 Ų | 119.4 | 65% | 0.654 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.7 | -34.6 | 175.2 | -172.3 | 174.4 | 3.4 | 0 | 0 | 112.8 | D591 E592 E593 S599 | D591-Q595 WeakPolarHBondContact O-CB 3.26Å; D591-Q595 PolarHBondContact O-N 2.82Å; E592-Q595 PolarHBondContact O-N 3.45Å; E593-Q595 VanDerWaalsContact C-N 3.31Å; E593-Q595 PolarHBondContact O-N 3.05Å; Q595-S599 PolarHBondContact O-N 3.04Å; Q595-S599 VanDerWaalsContact O-N 3.15Å; Q595-S599 PolarHBondContact O-OG 2.95Å; Q595-S599 VanDerWaalsContact O-OG 3.08Å |
| 596 | M | 82.9 | Confident | 67.1 | Low | 141 Ų | 141 | 114.6 Ų | 114.6 | 70% | 0.695 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.5 | -47.7 | 175.8 | -156 | -173.1 | -46.9 | 0 | 0 | 110.9 | E592 E593 A598 S599 L600 | E592-M596 PolarHBondContact O-N 2.95Å; E593-M596 WeakPolarHBondContact O-CB 3.39Å; E593-M596 PolarHBondContact O-N 3.07Å; E593-M596 VanDerWaalsContact O-N 3.13Å; M596-A598 PolarHBondContact O-N 3.28Å; M596-S599 PolarHBondContact O-N 3.11Å; M596-S599 VanDerWaalsContact O-N 3.15Å; M596-L600 PolarHBondContact O-N 3Å |
| 597 | L | 80 | Confident | 68.3 | Low | 93 Ų | 93 | 113.7 Ų | 113.7 | 49% | 0.487 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.7 | -41.5 | 175.4 | -68.2 | 170.3 | 0 | 0 | 0 | 112 | E593 S599 L600 K601 | E593-L597 HydrophobicContact CG-CD1 4.17Å; E593-L597 WeakPolarHBondContact O-CG 3.49Å; E593-L597 PolarHBondContact O-N 3.33Å; L597-S599 PolarHBondContact O-N 2.88Å; L597-L600 PolarHBondContact O-N 3.02Å; L597-K601 WeakPolarHBondContact O-CB 3.44Å; L597-K601 PolarHBondContact O-N 2.76Å |
| 598 | A | 77.5 | Confident | 68.7 | Low | 51 Ų | 51 | 117.1 Ų | 117.1 | 42% | 0.421 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.3 | -22.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L594 M596 R602 | L594-A598 VanDerWaalsContact O-CB 3.29Å; L594-A598 WeakPolarHBondContact O-CB 3.38Å; L594-A598 PolarHBondContact O-N 3.13Å; M596-A598 PolarHBondContact O-N 3.28Å; A598-R602 WeakPolarHBondContact O-CG 3.4Å; A598-R602 PolarHBondContact O-NE 3.11Å |
| 599 | S | 82 | Confident | 68.5 | Low | 50 Ų | 50 | 115 Ų | 115 | 35% | 0.35 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -83 | -41.4 | 172.6 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | Q595 M596 L597 K601 R602 Q603 | Q595-S599 PolarHBondContact O-N 3.04Å; Q595-S599 VanDerWaalsContact O-N 3.15Å; Q595-S599 PolarHBondContact O-OG 2.95Å; Q595-S599 VanDerWaalsContact O-OG 3.08Å; M596-S599 PolarHBondContact O-N 3.11Å; M596-S599 VanDerWaalsContact O-N 3.15Å; L597-S599 PolarHBondContact O-N 2.88Å; S599-K601 VanDerWaalsContact C-N 3.31Å; S599-K601 PolarHBondContact O-N 3.48Å; S599-R602 PolarHBondContact O-N 3.23Å; S599-R602 PolarHBondContact OG-NH2 3.02Å; S599-R602 VanDerWaalsContact OG-NH2 3.16Å; S599-Q603 PolarHBondContact O-N 3.38Å |
| 600 | L | 79.2 | Confident | 68.3 | Low | 105 Ų | 105 | 119.7 Ų | 119.7 | 55% | 0.55 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.9 | -38.9 | 174.7 | -164.6 | 71 | 0 | 0 | 0 | 111.9 | M596 L597 Q603 Q604 | M596-L600 PolarHBondContact O-N 3Å; L597-L600 PolarHBondContact O-N 3.02Å; L600-Q603 PolarHBondContact O-N 3.32Å; L600-Q604 PolarHBondContact O-N 3.26Å |
| 601 | K | 74.5 | Confident | 67 | Low | 102 Ų | 102 | 119.6 Ų | 119.6 | 44% | 0.443 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.1 | -46.9 | 178.5 | -170.7 | 73.6 | -167.3 | 80.7 | 0 | 112.5 | L597 S599 Q603 Q604 D605 | L597-K601 WeakPolarHBondContact O-CB 3.44Å; L597-K601 PolarHBondContact O-N 2.76Å; S599-K601 VanDerWaalsContact C-N 3.31Å; S599-K601 PolarHBondContact O-N 3.48Å; K601-Q603 VanDerWaalsContact C-N 3.29Å; K601-Q603 PolarHBondContact O-N 2.74Å; K601-Q604 PolarHBondContact O-N 2.73Å; K601-D605 IonicContact NZ-OD1 2.72Å; K601-D605 PolarHBondContact NZ-OD1 3.48Å; K601-D605 IonicContact NZ-OD2 2.6Å; K601-D605 PolarHBondContact NZ-OD2 2.79Å; K601-D605 VanDerWaalsContact NZ-OD2 3.12Å; K601-D605 PolarHBondContact O-N 2.99Å; K601-D605 VanDerWaalsContact O-N 3.07Å |
| 602 | R | 74.5 | Confident | 65.9 | Low | 139 Ų | 139 | 120 Ų | 120 | 53% | 0.525 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -61 | -37.6 | 177.4 | -73.8 | -178.3 | -62.6 | 123 | -1 | 112.4 | A598 S599 Q604 D605 E606 | A598-R602 WeakPolarHBondContact O-CG 3.4Å; A598-R602 PolarHBondContact O-NE 3.11Å; S599-R602 PolarHBondContact O-N 3.23Å; S599-R602 PolarHBondContact OG-NH2 3.02Å; S599-R602 VanDerWaalsContact OG-NH2 3.16Å; R602-Q604 VanDerWaalsContact C-N 3.3Å; R602-Q604 PolarHBondContact O-N 3.23Å; R602-D605 PolarHBondContact O-N 2.79Å; R602-E606 WeakPolarHBondContact O-CG 3.45Å; R602-E606 PolarHBondContact O-N 2.77Å |
| 603 | Q | 70.4 | Confident | 64.4 | Low | 126 Ų | 126 | 117.9 Ų | 117.9 | 59% | 0.589 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.9 | -34.5 | 178.3 | -168.8 | 171.5 | -6.5 | 0 | 0 | 112.3 | S599 L600 K601 D607 | S599-Q603 PolarHBondContact O-N 3.38Å; L600-Q603 PolarHBondContact O-N 3.32Å; K601-Q603 VanDerWaalsContact C-N 3.29Å; K601-Q603 PolarHBondContact O-N 2.74Å; Q603-D607 PolarHBondContact O-N 3.28Å |
| 604 | Q | 63.1 | Low | 62.5 | Low | 118 Ų | 118 | 120.3 Ų | 120.3 | 55% | 0.551 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.7 | -43.6 | 171.6 | -66.5 | -176.9 | -40.9 | 0 | 0 | 112.3 | L600 K601 R602 E606 D607 E608 | L600-Q604 PolarHBondContact O-N 3.26Å; K601-Q604 PolarHBondContact O-N 2.73Å; R602-Q604 VanDerWaalsContact C-N 3.3Å; R602-Q604 PolarHBondContact O-N 3.23Å; Q604-E606 VanDerWaalsContact C-N 3.28Å; Q604-E606 PolarHBondContact O-N 3.12Å; Q604-D607 PolarHBondContact O-N 3.12Å; Q604-E608 PolarHBondContact O-N 3.18Å |
| 605 | D | 58 | Low | 60.4 | Low | 72 Ų | 72 | 120.6 Ų | 120.6 | 39% | 0.385 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -68.2 | -25.9 | -177.5 | -63.8 | -26.9 | 0 | 0 | 0 | 112.6 | K601 R602 C609 | K601-D605 IonicContact NZ-OD1 2.72Å; K601-D605 PolarHBondContact NZ-OD1 3.48Å; K601-D605 IonicContact NZ-OD2 2.6Å; K601-D605 PolarHBondContact NZ-OD2 2.79Å; K601-D605 VanDerWaalsContact NZ-OD2 3.12Å; K601-D605 PolarHBondContact O-N 2.99Å; K601-D605 VanDerWaalsContact O-N 3.07Å; R602-D605 PolarHBondContact O-N 2.79Å; D605-C609 PolarHBondContact O-SG 3.28Å |
| 606 | E | 61.6 | Low | 58.3 | Low | 138 Ų | 138 | 118.7 Ų | 118.7 | 65% | 0.645 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -77.5 | -37.3 | 174.2 | -75.2 | 176.6 | -158 | 0 | 0 | 112.8 | R602 Q604 | R602-E606 WeakPolarHBondContact O-CG 3.45Å; R602-E606 PolarHBondContact O-N 2.77Å; Q604-E606 VanDerWaalsContact C-N 3.28Å; Q604-E606 PolarHBondContact O-N 3.12Å |
| 607 | D | 57.2 | Low | 56.4 | Low | 130 Ų | 130 | 117 Ų | 117 | 70% | 0.695 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -73.9 | -31.8 | 179.4 | -87.1 | -30.4 | 0 | 0 | 0 | 113.2 | Q603 Q604 C609 | Q603-D607 PolarHBondContact O-N 3.28Å; Q604-D607 PolarHBondContact O-N 3.12Å; D607-C609 VanDerWaalsContact C-N 3.28Å; D607-C609 PolarHBondContact O-N 2.8Å |
| 608 | E | 49.9 | Very low | 54.4 | Low | 168 Ų | 168 | 122 Ų | 122 | 79% | 0.785 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -18.4 | 178 | -165.5 | 164 | -172.6 | 0 | 0 | 112.8 | Q604 R610 | Q604-E608 PolarHBondContact O-N 3.18Å; E608-R610 VanDerWaalsContact C-N 3.28Å; E608-R610 PolarHBondContact O-N 2.65Å; E608-R610 VanDerWaalsContact O-N 3.13Å |
| 609 | C | 44.5 | Very low | 52.8 | Low | 111 Ų | 111 | 126 Ų | 126 | 75% | 0.75 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 14.3 | -174.2 | -80.3 | 0 | 0 | 0 | 0 | 116.3 | D605 D607 | D605-C609 PolarHBondContact O-SG 3.28Å; D607-C609 VanDerWaalsContact C-N 3.28Å; D607-C609 PolarHBondContact O-N 2.8Å |
| 610 | R | 47.3 | Very low | 50.9 | Low | 240 Ų | 240 | 132 Ų | 132 | 91% | 0.906 | 72% | 0.717 | S | S | * | * | trans | -122.9 | 39.7 | -173.1 | -145.7 | -179.2 | -175.3 | -178.9 | 2.6 | 117.3 | E608 | E608-R610 VanDerWaalsContact C-N 3.28Å; E608-R610 PolarHBondContact O-N 2.65Å; E608-R610 VanDerWaalsContact O-N 3.13Å | ||
| 611 | A | 35.3 | Very low | 48.7 | Very low | 88 Ų | 88 | 135.3 Ų | 135.3 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -131.6 | 134.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 612 | P | 44.6 | Very low | 46.8 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | trans | -77.3 | 139.5 | -176 | 30.7 | -34.5 | 0 | 0 | 0 | 112.5 | ||||
| 613 | A | 38 | Very low | 44.9 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -70.5 | 150.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 614 | L | 36.5 | Very low | 43.1 | Very low | 178 Ų | 178 | 136.6 Ų | 136.6 | 93% | 0.932 | 77% | 0.769 | S | S | * | * | trans | -119.9 | 146 | 161.3 | -69.5 | 177.3 | 0 | 0 | 0 | 109.6 | ||||
| 615 | S | 32.8 | Very low | 41.9 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -80.4 | 142.4 | -161.7 | -169.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 616 | A | 35.4 | Very low | 41.1 | Very low | 99 Ų | 99 | 140 Ų | 140 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -87.5 | 108.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 617 | S | 42.8 | Very low | 39.8 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -154.6 | 62.4 | 171 | -84.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 618 | Q | 37.8 | Very low | 39 | Very low | 198 Ų | 198 | 141.4 Ų | 141.4 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | trans | -170.6 | 91.9 | 158.2 | -108.3 | 157.7 | 19.4 | 0 | 0 | 111 | ||||
| 619 | V | 43.9 | Very low | 38.3 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -135.9 | 92.2 | 169.2 | 180 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 620 | H | 41.1 | Very low | 38.1 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 82% | 0.815 | 82% | 0.819 | S | S | * | * | trans | -155.1 | 147.5 | 164.3 | -79.7 | -47 | 0 | 0 | 0 | 109.5 | ||||
| 621 | Q | 32.9 | Very low | 37.9 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | 60.3 | 135.4 | -164.8 | -75 | 74.4 | 25.9 | 0 | 0 | 113 | ||||
| 622 | C | 35.4 | Very low | 38.4 | Very low | 131 Ų | 131 | 138 Ų | 138 | 89% | 0.885 | 82% | 0.82 | S | S | * | * | cis | -124.2 | 175.9 | 18.2 | -68.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 623 | D | 33.4 | Very low | 37.8 | Very low | 148 Ų | 148 | 135 Ų | 135 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -136.9 | 155.8 | -176.8 | -166.3 | 8.7 | 0 | 0 | 0 | 111 | ||||
| 624 | V | 33.7 | Very low | 37.7 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 70% | 0.697 | 80% | 0.803 | S | S | * | * | trans | 63.8 | 140.8 | 168.1 | -142.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 625 | S | 37.2 | Very low | 37.4 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | 75.3 | 94.8 | 146.6 | 42.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 626 | I | 41.8 | Very low | 37.4 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | 10.4 | 132.4 | 123.6 | -43 | 169.1 | 0 | 0 | 0 | 118.6 | |||||
| 627 | S | 33.7 | Very low | 37.4 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | trans | -158.1 | 159.3 | 145.3 | -84 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 628 | L | 40.8 | Very low | 36.8 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | -108.5 | 140.2 | -178.2 | -69.2 | 154 | 0 | 0 | 0 | 111 | ||||
| 629 | S | 34.9 | Very low | 36.5 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | 153.6 | 152.7 | 170.2 | 171.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 630 | S | 41.2 | Very low | 35.9 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | cis | -167.7 | 168.9 | -25 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 631 | D | 43.6 | Very low | 35.4 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | -17.1 | 131.8 | 173.5 | -75.2 | -30.2 | 0 | 0 | 0 | 122.5 | ||||
| 632 | D | 44 | Very low | 35.2 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | 82.6 | 153.5 | 120.4 | -158.3 | 33.9 | 0 | 0 | 0 | 123.3 | |||||
| 633 | A | 32 | Very low | 35.5 | Very low | 69 Ų | 69 | 135.1 Ų | 135.1 | 57% | 0.57 | 77% | 0.767 | S | S | * | * | trans | 79.8 | 125.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 634 | S | 36.8 | Very low | 35.2 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 78.6 | 107.8 | 139.8 | -61.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 635 | T | 31.2 | Very low | 35.2 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | 52.5 | 113 | 115.9 | -46.9 | 0 | 0 | 0 | 0 | 119 | |||||
| 636 | W | 31.2 | Very low | 35.2 | Very low | 242 Ų | 242 | 132.8 Ų | 132.8 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | trans | -145.2 | 147.1 | 132.5 | -130.1 | 54.7 | 0 | 0 | 0 | 113 | ||||
| 637 | T | 35.8 | Very low | 34.9 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 61% | 0.607 | 78% | 0.778 | S | S | * | * | trans | -115.2 | 147.1 | -172.7 | 48.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 638 | H | 30 | Very low | 35.6 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | 46.3 | 117.9 | 154 | -84.5 | -91 | 0 | 0 | 0 | 119.3 | ||||
| 639 | I | 31.6 | Very low | 35.6 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 82% | 0.821 | 76% | 0.764 | S | S | * | * | -136 | 152 | 127.1 | -101.6 | 160.9 | 0 | 0 | 0 | 108.2 | |||||
| 640 | S | 31 | Very low | 35.7 | Very low | 87 Ų | 87 | 132.1 Ų | 132.1 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | trans | -129.7 | 161.7 | 171.3 | -50.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 641 | Q | 31.6 | Very low | 35.8 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | cis | -162.6 | 154.7 | 38.2 | -58.6 | 171.1 | -1.3 | 0 | 0 | 111 | ||||
| 642 | L | 29.1 | Very low | 35.5 | Very low | 154 Ų | 154 | 135 Ų | 135 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | trans | 61.3 | 163.5 | 142.5 | -70.8 | 165.8 | 0 | 0 | 0 | 120.8 | ||||
| 643 | P | 41.6 | Very low | 35.4 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | cis | -127.9 | 162.5 | -21.2 | 35.2 | -19.9 | 0 | 0 | 0 | 114.7 | ||||
| 644 | G | 26.8 | Very low | 36.1 | Very low | 79 Ų | 79 | 140.7 Ų | 140.7 | 81% | 0.814 | 76% | 0.757 | S | S | * | * | trans | 113.4 | 76 | 141 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 645 | A | 32.8 | Very low | 36.8 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 79% | 0.793 | 75% | 0.752 | S | S | * | * | trans | -158.6 | 136.2 | 142.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 646 | V | 36.7 | Very low | 37.4 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 84% | 0.842 | 75% | 0.753 | S | S | * | * | trans | -92.5 | 122 | 174.3 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 647 | N | 37.2 | Very low | 38.1 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | trans | -146.7 | 142 | 164.1 | -91.5 | -50.4 | 0 | 0 | 0 | 110.6 | G649 | N647-G649 PolarHBondContact O-N 3.12Š| ||
| 648 | Q | 47.1 | Very low | 38.6 | Very low | 203 Ų | 203 | 137.1 Ų | 137.1 | 95% | 0.949 | 74% | 0.738 | S | S | * | * | trans | -85.9 | 91.6 | -173 | -62.6 | 178.2 | 6.5 | 0 | 0 | 110.2 | ||||
| 649 | G | 41.4 | Very low | 39.4 | Very low | 53 Ų | 53 | 135.6 Ų | 135.6 | 55% | 0.546 | 74% | 0.735 | S | S | . | * | trans | -130.9 | 7.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | N647 | N647-G649 PolarHBondContact O-N 3.12Š| ||
| 650 | H | 36.7 | Very low | 40 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | -124.9 | 66.4 | -168.9 | -59.7 | -57.9 | 0 | 0 | 0 | 114.1 | Q653 | H650-Q653 PolarHBondContact ND1-OE1 3.07Š| ||
| 651 | H | 43.3 | Very low | 40.8 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 60% | 0.597 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -112.6 | -54.3 | 167.4 | -154.4 | 46.3 | 0 | 0 | 0 | 111.8 | Q653 K654 | H651-Q653 VanDerWaalsContact C-N 3.34Å; H651-Q653 PolarHBondContact O-N 2.58Å; H651-K654 PolarHBondContact O-N 3.37Å |
| 652 | Y | 38.3 | Very low | 41.5 | Very low | 183 Ų | 183 | 135.8 Ų | 135.8 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -63.4 | -28.3 | -171.3 | -53.8 | -68.6 | 0 | 0 | 0 | 115.8 | K654 | Y652-K654 VanDerWaalsContact C-N 3.25Å; Y652-K654 PolarHBondContact O-N 3.24Å |
| 653 | Q | 40.4 | Very low | 42.4 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -71.2 | -15.6 | -179.6 | -74.6 | 176.2 | -45.6 | 0 | 0 | 114 | H650 H651 | H650-Q653 PolarHBondContact ND1-OE1 3.07Å; H651-Q653 VanDerWaalsContact C-N 3.34Å; H651-Q653 PolarHBondContact O-N 2.58Å |
| 654 | K | 46.7 | Very low | 42.7 | Very low | 198 Ų | 198 | 131.1 Ų | 131.1 | 86% | 0.861 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -91.7 | -17.1 | -177.6 | -157.2 | 172.7 | -177.3 | -179.5 | 0 | 113.8 | H651 Y652 | H651-K654 PolarHBondContact O-N 3.37Å; Y652-K654 VanDerWaalsContact C-N 3.25Å; Y652-K654 PolarHBondContact O-N 3.24Å |
| 655 | E | 53.3 | Low | 44 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 62% | 0.621 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -27.7 | 177.9 | -61.2 | -168.5 | 129.7 | 0 | 0 | 113 | N657 | E655-N657 VanDerWaalsContact C-N 3.29Å; E655-N657 PolarHBondContact O-N 3.2Å |
| 656 | M | 43.3 | Very low | 44.9 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -83.5 | 15.3 | -172 | -70.6 | -66.6 | 103.3 | 0 | 0 | 115.3 | ||
| 657 | N | 45.2 | Very low | 45.6 | Very low | 87 Ų | 87 | 140.1 Ų | 140.1 | 47% | 0.465 | 69% | 0.69 | S | S | . | * | trans | -144.9 | 71.9 | -178.4 | -149 | -19 | 0 | 0 | 0 | 114.7 | E655 L659 L660 | E655-N657 VanDerWaalsContact C-N 3.29Å; E655-N657 PolarHBondContact O-N 3.2Å; N657-L659 PolarHBondContact O-N 3.32Å; N657-L659 VanDerWaalsContact O-N 3.12Å; N657-L660 HydrophobicContact CB-CD1 4.33Å | ||
| 658 | P | 46.4 | Very low | 45.8 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 2.4 | -177.9 | 31.1 | -36.9 | 0 | 0 | 0 | 114.8 | ||
| 659 | L | 46.3 | Very low | 45.8 | Very low | 134 Ų | 134 | 137 Ų | 137 | 70% | 0.702 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 1.7 | -173.9 | -61.2 | 179.1 | 0 | 0 | 0 | 114.3 | N657 | N657-L659 PolarHBondContact O-N 3.32Å; N657-L659 VanDerWaalsContact O-N 3.12Å |
| 660 | L | 44.3 | Very low | 46.3 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 73% | 0.728 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -92.6 | 12 | -178.6 | -65.4 | 176.7 | 0 | 0 | 0 | 114.6 | N657 | N657-L660 HydrophobicContact CB-CD1 4.33Š|
| 661 | Q | 49.1 | Very low | 46.5 | Very low | 195 Ų | 195 | 138.7 Ų | 138.7 | 91% | 0.911 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -128.7 | -1.5 | 178.1 | -71 | -167.3 | -35 | 0 | 0 | 115.2 | ||
| 662 | S | 45.6 | Very low | 46.4 | Very low | 81 Ų | 81 | 137.4 Ų | 137.4 | 57% | 0.566 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -87.4 | 118.5 | 174.3 | 52.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 663 | N | 47.3 | Very low | 46.4 | Very low | 77 Ų | 77 | 134.1 Ų | 134.1 | 41% | 0.412 | 69% | 0.689 | S | S | . | * | trans | -69.7 | 126.5 | 179.5 | 166.5 | 16.8 | 0 | 0 | 0 | 111.1 | R665 E666 | N663-R665 PolarHBondContact O-N 3.19Å; N663-R665 PolarHBondContact OD1-N 3.42Å; N663-E666 HydrophobicContact CB-CG 4.35Å; N663-E666 VanDerWaalsContact CB-OE1 3.29Å; N663-E666 WeakPolarHBondContact CB-OE1 3.39Å; N663-E666 PolarHBondContact ND2-OE1 3.12Å; N663-E666 PolarHBondContact O-N 3.42Å | ||
| 664 | P | 48.7 | Very low | 46.3 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 63% | 0.63 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 17 | -171.7 | 29.6 | -36.4 | 0 | 0 | 0 | 115.7 | W667 | P664-W667 VanDerWaalsContact C-NE1 3.26Å; P664-W667 VanDerWaalsContact CA-NE1 3.34Å; P664-W667 PolarHBondContact O-NE1 3.42Å |
| 665 | R | 53.8 | Low | 46 | Very low | 199 Ų | 199 | 131 Ų | 131 | 75% | 0.751 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -20.9 | 163.5 | -74.4 | -178.5 | 176 | -102.3 | -2.1 | 114.1 | N663 W667 M668 | N663-R665 PolarHBondContact O-N 3.19Å; N663-R665 PolarHBondContact OD1-N 3.42Å; R665-W667 PolarHBondContact O-N 3.13Å; R665-M668 PolarHBondContact O-N 3.15Å |
| 666 | E | 52.2 | Low | 45.2 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 65% | 0.645 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -3.6 | -169.7 | -72.1 | 161 | -156.5 | 0 | 0 | 114.5 | N663 | N663-E666 HydrophobicContact CB-CG 4.35Å; N663-E666 VanDerWaalsContact CB-OE1 3.29Å; N663-E666 WeakPolarHBondContact CB-OE1 3.39Å; N663-E666 PolarHBondContact ND2-OE1 3.12Å; N663-E666 PolarHBondContact O-N 3.42Å |
| 667 | W | 50.4 | Low | 44.8 | Very low | 166 Ų | 166 | 129.9 Ų | 129.9 | 63% | 0.629 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | -5.6 | 179.1 | 61 | -69.7 | 0 | 0 | 0 | 113.9 | P664 R665 | P664-W667 VanDerWaalsContact C-NE1 3.26Å; P664-W667 VanDerWaalsContact CA-NE1 3.34Å; P664-W667 PolarHBondContact O-NE1 3.42Å; R665-W667 PolarHBondContact O-N 3.13Å |
| 668 | M | 42.5 | Very low | 44.6 | Very low | 130 Ų | 130 | 132 Ų | 132 | 64% | 0.64 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -75.3 | -34.9 | -177.1 | -72.3 | -173.8 | 65 | 0 | 0 | 113.6 | R665 V670 L671 | R665-M668 PolarHBondContact O-N 3.15Å; M668-V670 PolarHBondContact O-N 2.99Å; M668-L671 PolarHBondContact O-N 3.31Å |
| 669 | D | 47.4 | Very low | 43.9 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 85% | 0.845 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -74.5 | -3 | -178 | -69.7 | -25.7 | 0 | 0 | 0 | 114.1 | ||
| 670 | V | 52 | Low | 43.3 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 71% | 0.709 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -94.2 | -13.9 | -179.5 | -175.9 | 0 | 0 | 0 | 0 | 112.3 | M668 | M668-V670 PolarHBondContact O-N 2.99Š|
| 671 | L | 40.8 | Very low | 42.8 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 71% | 0.707 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -126.1 | 48.5 | -171.3 | -67.6 | 178.6 | 0 | 0 | 0 | 114.3 | M668 | M668-L671 PolarHBondContact O-N 3.31Š|
| 672 | S | 39.6 | Very low | 41.9 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | trans | -158.9 | 124.4 | 154.5 | -81.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 673 | P | 40.2 | Very low | 41.1 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | trans | -72.6 | 141.7 | 164.5 | 31.3 | -32.6 | 0 | 0 | 0 | 109.9 | I675 | P673-I675 PolarHBondContact O-N 2.93Š| ||
| 674 | P | 37.9 | Very low | 40.2 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | -69.9 | 122.1 | -178.1 | 27.3 | -34 | 0 | 0 | 0 | 111.7 | M676 | P674-M676 PolarHBondContact O-N 3.29Š| ||
| 675 | I | 40.6 | Very low | 39.3 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | trans | -75.1 | 112.9 | 172 | -59 | 174.3 | 0 | 0 | 0 | 108.3 | P673 P677 | P673-I675 PolarHBondContact O-N 2.93Å; I675-P677 WeakPolarHBondContact O-CD 3.45Å | ||
| 676 | M | 35.4 | Very low | 38.2 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 79% | 0.793 | 75% | 0.752 | S | S | * | * | trans | -91.8 | 114.5 | 178.5 | -73.2 | -101.4 | 61.6 | 0 | 0 | 111.2 | P674 | P674-M676 PolarHBondContact O-N 3.29Š| ||
| 677 | P | 36.1 | Very low | 37.1 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | trans | -79.5 | 143.8 | 171.8 | 32.5 | -34.2 | 0 | 0 | 0 | 111.3 | I675 | I675-P677 WeakPolarHBondContact O-CD 3.45Š| ||
| 678 | P | 39.3 | Very low | 36.1 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | trans | -88.7 | 112.8 | -178 | 32.4 | -32.8 | 0 | 0 | 0 | 112.9 | ||||
| 679 | S | 32.5 | Very low | 35.6 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -168.7 | 157.7 | 151.1 | 66.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 680 | Q | 33.3 | Very low | 34.7 | Very low | 179 Ų | 179 | 140.5 Ų | 140.5 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | 63.8 | 73.2 | 157.3 | -47.5 | -148.8 | 19.4 | 0 | 0 | 121.2 | ||||
| 681 | Q | 33.4 | Very low | 33.5 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | 31.1 | 133.2 | 109.8 | -150.8 | -177.6 | 11.6 | 0 | 0 | 121 | |||||
| 682 | R | 30.8 | Very low | 33.1 | Very low | 225 Ų | 225 | 146.5 Ų | 146.5 | 85% | 0.849 | 77% | 0.773 | S | S | * | * | trans | 73.7 | 143.8 | 177 | -43.4 | -171.8 | -174.8 | -149.1 | -1.4 | 112.6 | ||||
| 683 | R | 28.4 | Very low | 32.6 | Very low | 241 Ų | 241 | 146.6 Ų | 146.6 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | cis | -155 | 152.3 | 16.4 | -166.1 | -174.8 | -165 | 167.9 | 2.7 | 106.3 | ||||
| 684 | S | 30 | Very low | 33.1 | Very low | 104 Ų | 104 | 146.7 Ų | 146.7 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | cis | -123.9 | -155.9 | 11.2 | -149.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 685 | G | 29.2 | Very low | 32.7 | Very low | 56 Ų | 56 | 148.9 Ų | 148.9 | 58% | 0.577 | 78% | 0.779 | S | S | * | * | cis | 98.7 | 116.7 | -0.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 686 | N | 30.7 | Very low | 32.2 | Very low | 151 Ų | 151 | 152.5 Ų | 152.5 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | cis | -116.1 | -160.3 | 9.6 | -65.5 | -3.5 | 0 | 0 | 0 | 109.6 | ||||
| 687 | T | 28.3 | Very low | 31.7 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | cis | -154.1 | 169 | 13.9 | -40 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 688 | E | 30.2 | Very low | 31.3 | Very low | 168 Ų | 168 | 147.6 Ų | 147.6 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -81.8 | 164.2 | -178.2 | -66.1 | 152.9 | 137.4 | 0 | 0 | 111.7 | ||||
| 689 | N | 30.8 | Very low | 30.7 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | -145.8 | 142.3 | 57.2 | -62.5 | -51.9 | 0 | 0 | 0 | 114.4 | |||||
| 690 | N | 29.8 | Very low | 30.5 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | trans | -131.1 | 138.2 | 159.8 | 179.5 | 21.9 | 0 | 0 | 0 | 108.3 | ||||
| 691 | W | 25.2 | Very low | 30.3 | Very low | 219 Ų | 219 | 144.8 Ų | 144.8 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | -148 | 84 | 169.9 | -84.9 | 110.7 | 0 | 0 | 0 | 110.7 | ||||
| 692 | E | 34.3 | Very low | 30.2 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | -71.7 | 159.8 | 147.4 | -65.5 | -173 | 140.5 | 0 | 0 | 109.7 | ||||
| 693 | S | 27.2 | Very low | 30.6 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -154 | 100.2 | 171.4 | -78 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 694 | P | 50.9 | Low | 30.9 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | trans | -100.1 | 142 | 169.7 | 35 | -29 | 0 | 0 | 0 | 111.8 | ||||
| 695 | L | 31 | Very low | 31.5 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -169.6 | 107.8 | 144 | -107.8 | 173.6 | 0 | 0 | 0 | 113.9 | ||||
| 696 | R | 28.6 | Very low | 32 | Very low | 240 Ų | 240 | 145.9 Ų | 145.9 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | 37.2 | 111 | 138.3 | -176.5 | -176.8 | -72.4 | -99.2 | -1.1 | 119.3 | ||||
| 697 | G | 26.1 | Very low | 32.6 | Very low | 79 Ų | 79 | 145.2 Ų | 145.2 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | -162.1 | 100.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 698 | G | 27.5 | Very low | 33.2 | Very low | 81 Ų | 81 | 142.1 Ų | 142.1 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 39.5 | 104 | 150.3 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 699 | G | 26.2 | Very low | 34.1 | Very low | 79 Ų | 79 | 139.6 Ų | 139.6 | 81% | 0.814 | 78% | 0.777 | S | S | * | * | 82.4 | 111.5 | 115.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 700 | S | 28.6 | Very low | 35.8 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 62.6 | 108.1 | 144.3 | 178.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 701 | M | 28.3 | Very low | 37.6 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | -162 | 144 | 101.7 | -104.7 | 179.1 | 66 | 0 | 0 | 113.2 | |||||
| 702 | V | 32.3 | Very low | 40.2 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | 32.9 | 134.3 | 150.4 | -169.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 703 | K | 39.1 | Very low | 42.6 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | -56.3 | 146 | 169.1 | -60.4 | 176.9 | 170.1 | -168.1 | 0 | 113 | E705 | K703-E705 HydrophobicContact CD-CG 4.31Å; K703-E705 WeakPolarHBondContact CD-OE1 3.19Å; K703-E705 WeakPolarHBondContact CE-OE1 3.28Å; K703-E705 IonicContact NZ-OE1 2.63Å; K703-E705 PolarHBondContact NZ-OE1 3.15Å | ||
| 704 | E | 35 | Very low | 45.6 | Very low | 194 Ų | 194 | 135 Ų | 135 | 91% | 0.907 | 74% | 0.739 | S | S | * | * | trans | -123 | 132.9 | 135.2 | -67.4 | -169.2 | 149.1 | 0 | 0 | 108 | E706 | E704-E706 PolarHBondContact O-N 3.06Š| ||
| 705 | E | 42.7 | Very low | 47.5 | Very low | 153 Ų | 153 | 134 Ų | 134 | 72% | 0.715 | 73% | 0.727 | S | S | * | * | trans | -93.3 | 79.4 | -179.7 | -74.7 | 174 | 175.8 | 0 | 0 | 108.9 | K703 N707 | K703-E705 HydrophobicContact CD-CG 4.31Å; K703-E705 WeakPolarHBondContact CD-OE1 3.19Å; K703-E705 WeakPolarHBondContact CE-OE1 3.28Å; K703-E705 IonicContact NZ-OE1 2.63Å; K703-E705 PolarHBondContact NZ-OE1 3.15Å; E705-N707 PolarHBondContact O-N 3.48Å; E705-N707 VanDerWaalsContact O-N 3.13Å | ||
| 706 | E | 39.8 | Very low | 50.4 | Low | 190 Ų | 190 | 131 Ų | 131 | 89% | 0.888 | 71% | 0.705 | S | S | * | * | trans | -72.6 | 102.6 | 171.2 | -168.6 | 166.8 | -137.6 | 0 | 0 | 109 | E704 G708 | E704-E706 PolarHBondContact O-N 3.06Å; E706-G708 VanDerWaalsContact C-N 3.26Å; E706-G708 PolarHBondContact O-N 3.43Å | ||
| 707 | N | 41.7 | Very low | 53.3 | Low | 136 Ų | 136 | 121.7 Ų | 121.7 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | trans | -71 | 82 | 177.6 | -176 | 97.1 | 0 | 0 | 0 | 109.7 | E705 D709 | E705-N707 PolarHBondContact O-N 3.48Å; E705-N707 VanDerWaalsContact O-N 3.13Å; N707-D709 PolarHBondContact ND2-OD1 3.38Å; N707-D709 PolarHBondContact O-N 3.42Å | ||
| 708 | G | 41.9 | Very low | 56.2 | Low | 63 Ų | 63 | 122.8 Ų | 122.8 | 65% | 0.649 | 67% | 0.666 | S | S | * | * | trans | -66.5 | 112.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E706 E710 | E706-G708 VanDerWaalsContact C-N 3.26Å; E706-G708 PolarHBondContact O-N 3.43Å; G708-E710 PolarHBondContact O-N 3.31Å | ||
| 709 | D | 50.2 | Low | 58.9 | Low | 114 Ų | 114 | 124.6 Ų | 124.6 | 61% | 0.61 | 67% | 0.665 | S | S | * | * | trans | -66.3 | 97 | 170.8 | -70 | -35.4 | 0 | 0 | 0 | 109.4 | N707 Y711 | N707-D709 PolarHBondContact ND2-OD1 3.38Å; N707-D709 PolarHBondContact O-N 3.42Å; D709-Y711 HydrophobicContact CB-CE2 4.39Å; D709-Y711 WeakPolarHBondContact O-CD2 3.22Å; D709-Y711 PolarHBondContact O-N 3.25Å | ||
| 710 | E | 65.3 | Low | 61.7 | Low | 169 Ų | 169 | 125.9 Ų | 125.9 | 79% | 0.79 | 65% | 0.652 | S | S | * | * | trans | -70.8 | 94.7 | -178.7 | -171.7 | 170.2 | -135.2 | 0 | 0 | 110.5 | G708 L712 | G708-E710 PolarHBondContact O-N 3.31Å; E710-L712 VanDerWaalsContact C-N 3.33Å; E710-L712 PolarHBondContact O-N 3.38Å | ||
| 711 | Y | 68.4 | Low | 64.6 | Low | 210 Ų | 210 | 125 Ų | 125 | 82% | 0.824 | 64% | 0.638 | S | S | * | * | trans | -67.5 | 82.8 | -179.3 | -71.5 | -77.4 | 0 | 0 | 0 | 112.6 | D709 K713 | D709-Y711 HydrophobicContact CB-CE2 4.39Å; D709-Y711 WeakPolarHBondContact O-CD2 3.22Å; D709-Y711 PolarHBondContact O-N 3.25Å; Y711-K713 PolarHBondContact O-N 3.13Å | ||
| 712 | L | 78.9 | Confident | 67.7 | Low | 84 Ų | 84 | 117.6 Ų | 117.6 | 44% | 0.44 | 60% | 0.603 | S | S | . | * | trans | -54.5 | 128 | 176.6 | -66 | 177.6 | 0 | 0 | 0 | 112.3 | E710 L714 | E710-L712 VanDerWaalsContact C-N 3.33Å; E710-L712 PolarHBondContact O-N 3.38Å; L712-L714 VanDerWaalsContact C-N 3.29Å; L712-L714 HydrophobicContact CB-CD2 4.29Å; L712-L714 HydrophobicContact CB-CG 4.27Å; L712-L714 PolarHBondContact O-N 2.96Å | ||
| 713 | K | 84.7 | Confident | 70.6 | Confident | 135 Ų | 135 | 115.9 Ų | 115.9 | 59% | 0.587 | 58% | 0.583 | S | S | * | * | trans | -87.6 | 62.8 | -173 | -167.9 | -176.2 | 172.6 | -174.4 | 0 | 112.3 | Y711 P726 | Y711-K713 PolarHBondContact O-N 3.13Å; K713-P726 VanDerWaalsContact O-CD 3.31Å; K713-P726 WeakPolarHBondContact O-CD 3.27Å | ||
| 714 | L | 90.6 | Very high | 73.1 | Confident | 69 Ų | 69 | 111.2 Ų | 111.2 | 36% | 0.361 | 56% | 0.563 | S | S | . | * | trans | -65.4 | 136.3 | -174.4 | -61.6 | -177.7 | 0 | 0 | 0 | 113.6 | L712 Y723 D725 Y732 | L712-L714 VanDerWaalsContact C-N 3.29Å; L712-L714 HydrophobicContact CB-CD2 4.29Å; L712-L714 HydrophobicContact CB-CG 4.27Å; L712-L714 PolarHBondContact O-N 2.96Å; L714-Y723 HydrophobicContact CB-CD1 3.86Å; L714-Y723 HydrophobicContact CB-CG 4.24Å; L714-Y723 HydrophobicContact CD1-CD1 4.44Å; L714-Y723 HydrophobicContact CD1-CG 4.14Å; L714-D725 HydrophobicContact CD2-CB 3.87Å; L714-Y732 HydrophobicContact CD2-CD2 3.95Å; L714-Y732 HydrophobicContact CD2-CE2 4.03Å | ||
| 715 | L | 90.2 | Very high | 75.9 | Confident | 94 Ų | 94 | 102.1 Ų | 102.1 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124 | 172.4 | -61.7 | 175.9 | 0 | 0 | 0 | 109 | Y723 F724 P726 | L715-Y723 CarbonylContact O-C 3.59Å; L715-Y723 WeakPolarHBondContact O-CA 3.46Å; L715-F724 HydrophobicContact CD1-CD1 4.48Å; L715-F724 PolarHBondContact N-O 3.22Å; L715-F724 PolarHBondContact O-N 3.17Å; L715-P726 HydrophobicContact CD1-CB 4.21Å; L715-P726 HydrophobicContact CD1-CG 4.01Å; L715-P726 HydrophobicContact CG-CG 4.35Å |
| 716 | Y | 93.4 | Very high | 78 | Confident | 100 Ų | 100 | 97.7 Ų | 97.7 | 39% | 0.392 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 129.9 | 177.8 | -175.5 | -110.1 | 0 | 0 | 0 | 111.7 | P718 N721 C722 Y723 L734 | Y716-P718 HydrophobicContact CD1-CG 4.01Å; Y716-P718 HydrophobicContact CE1-CB 4.11Å; Y716-P718 HydrophobicContact CE1-CG 4.04Å; Y716-P718 WeakPolarHBondContact O-CD 3.41Å; Y716-N721 PolarHBondContact OH-OD1 2.94Å; Y716-C722 WeakPolarHBondContact CD2-O 3.34Å; Y716-Y723 HydrophobicContact CD2-CD1 4.08Å; Y716-Y723 HydrophobicContact CD2-CD2 4.5Å; Y716-Y723 AromaticContact CD2-CE1 3.9Å; Y716-Y723 HydrophobicContact CD2-CE1 3.9Å; Y716-Y723 HydrophobicContact CD2-CE2 4.33Å; Y716-Y723 HydrophobicContact CD2-CG 4.38Å; Y716-Y723 HydrophobicContact CG-CE1 4.28Å; Y716-L734 HydrophobicContact CE2-CD1 3.87Å |
| 717 | D | 89.1 | Confident | 80.2 | Confident | 45 Ų | 45 | 95.7 Ų | 95.7 | 24% | 0.241 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 107.9 | 172.9 | -171.1 | -38.3 | 0 | 0 | 0 | 110.3 | C719 L720 N721 C722 | D717-C719 VanDerWaalsContact C-N 3.27Å; D717-C719 PolarHBondContact O-N 3.41Å; D717-C719 WeakPolarHBondContact OD1-CA 3.45Å; D717-C719 VanDerWaalsContact OD1-CB 3.28Å; D717-C719 WeakPolarHBondContact OD1-CB 3.41Å; D717-C719 PolarHBondContact OD1-N 3.21Å; D717-L720 HydrophobicContact CB-CB 4.31Å; D717-L720 PolarHBondContact O-N 3.39Å; D717-L720 PolarHBondContact OD1-N 3.04Å; D717-N721 WeakPolarHBondContact O-CA 3.37Å; D717-N721 PolarHBondContact O-N 3.41Å; D717-C722 PolarHBondContact N-O 2.94Å; D717-C722 PolarHBondContact O-N 3.08Å |
| 718 | P | 87.4 | Confident | 82.3 | Confident | 101 Ų | 101 | 91.8 Ų | 91.8 | 66% | 0.656 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -13.6 | 179.3 | -16.7 | 31.7 | 0 | 0 | 0 | 114.9 | Y716 | Y716-P718 HydrophobicContact CD1-CG 4.01Å; Y716-P718 HydrophobicContact CE1-CB 4.11Å; Y716-P718 HydrophobicContact CE1-CG 4.04Å; Y716-P718 WeakPolarHBondContact O-CD 3.41Å |
| 719 | C | 84.1 | Confident | 84.4 | Confident | 120 Ų | 120 | 90.9 Ų | 90.9 | 81% | 0.811 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -31.4 | 178.1 | -64 | 0 | 0 | 0 | 0 | 111.6 | D717 | D717-C719 VanDerWaalsContact C-N 3.27Å; D717-C719 PolarHBondContact O-N 3.41Å; D717-C719 WeakPolarHBondContact OD1-CA 3.45Å; D717-C719 VanDerWaalsContact OD1-CB 3.28Å; D717-C719 WeakPolarHBondContact OD1-CB 3.41Å; D717-C719 PolarHBondContact OD1-N 3.21Å |
| 720 | L | 85.1 | Confident | 86.3 | Confident | 105 Ų | 105 | 91.1 Ų | 91.1 | 55% | 0.55 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -8.8 | 177.8 | -60.4 | 179.5 | 0 | 0 | 0 | 113.7 | D717 C722 Y731 | D717-L720 HydrophobicContact CB-CB 4.31Å; D717-L720 PolarHBondContact O-N 3.39Å; D717-L720 PolarHBondContact OD1-N 3.04Å; L720-C722 VanDerWaalsContact C-N 3.29Å; L720-C722 WeakPolarHBondContact CB-SG 3.43Å; L720-C722 PolarHBondContact O-N 3.15Å; L720-Y731 HydrophobicContact CD1-CD1 4.42Å; L720-Y731 HydrophobicContact CD1-CE1 3.92Å |
| 721 | N | 88.1 | Confident | 87.5 | Confident | 96 Ų | 96 | 89.5 Ų | 89.5 | 51% | 0.513 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 41.4 | -180 | -164.1 | 90.3 | 0 | 0 | 0 | 112.6 | Y716 D717 | Y716-N721 PolarHBondContact OH-OD1 2.94Å; D717-N721 WeakPolarHBondContact O-CA 3.37Å; D717-N721 PolarHBondContact O-N 3.41Å |
| 722 | C | 93.6 | Very high | 88.5 | Confident | 10 Ų | 10 | 83.4 Ų | 83.4 | 7% | 0.068 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 169.6 | -175.9 | 68 | 0 | 0 | 0 | 0 | 110.9 | Y716 D717 L720 Y732 | Y716-C722 WeakPolarHBondContact CD2-O 3.34Å; D717-C722 PolarHBondContact N-O 2.94Å; D717-C722 PolarHBondContact O-N 3.08Å; L720-C722 VanDerWaalsContact C-N 3.29Å; L720-C722 WeakPolarHBondContact CB-SG 3.43Å; L720-C722 PolarHBondContact O-N 3.15Å; C722-Y732 WeakPolarHBondContact CA-O 3.21Å; C722-Y732 VanDerWaalsContact CB-O 3.32Å; C722-Y732 WeakPolarHBondContact CB-O 3.42Å |
| 723 | Y | 93.1 | Very high | 88.8 | Confident | 89 Ų | 89 | 87.9 Ų | 87.9 | 35% | 0.349 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 130.9 | 173.2 | -71.8 | -80 | 0 | 0 | 0 | 110.8 | L714 L715 Y716 Y731 Y732 L734 | L714-Y723 HydrophobicContact CB-CD1 3.86Å; L714-Y723 HydrophobicContact CB-CG 4.24Å; L714-Y723 HydrophobicContact CD1-CD1 4.44Å; L714-Y723 HydrophobicContact CD1-CG 4.14Å; L715-Y723 CarbonylContact O-C 3.59Å; L715-Y723 WeakPolarHBondContact O-CA 3.46Å; Y716-Y723 HydrophobicContact CD2-CD1 4.08Å; Y716-Y723 HydrophobicContact CD2-CD2 4.5Å; Y716-Y723 AromaticContact CD2-CE1 3.9Å; Y716-Y723 HydrophobicContact CD2-CE1 3.9Å; Y716-Y723 HydrophobicContact CD2-CE2 4.33Å; Y716-Y723 HydrophobicContact CD2-CG 4.38Å; Y716-Y723 HydrophobicContact CG-CE1 4.28Å; Y723-Y731 CarbonylContact O-C 3.53Å; Y723-Y731 VanDerWaalsContact O-CA 3.29Å; Y723-Y731 WeakPolarHBondContact O-CA 3.47Å; Y723-Y732 PolarHBondContact N-O 3.16Å; Y723-Y732 PolarHBondContact O-N 3.25Å; Y723-L734 HydrophobicContact CD2-CD2 4.45Å; Y723-L734 HydrophobicContact CE2-CD2 3.74Å; Y723-L734 HydrophobicContact CE2-CG 4.4Å |
| 724 | F | 92.3 | Very high | 88.6 | Confident | 59 Ų | 59 | 85.6 Ų | 85.6 | 26% | 0.259 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 131.3 | 171.6 | 175.5 | -111.7 | 0 | 0 | 0 | 110.5 | L715 P726 K730 Y731 | L715-F724 HydrophobicContact CD1-CD1 4.48Å; L715-F724 PolarHBondContact N-O 3.22Å; L715-F724 PolarHBondContact O-N 3.17Å; F724-P726 HydrophobicContact CE1-CB 4.01Å; F724-K730 WeakPolarHBondContact CA-O 3.3Å; F724-K730 WeakPolarHBondContact CD2-O 3.29Å; F724-Y731 HydrophobicContact CB-CD1 3.91Å; F724-Y731 HydrophobicContact CB-CE1 3.78Å; F724-Y731 AromaticContact CD2-CD1 3.89Å; F724-Y731 HydrophobicContact CD2-CD1 3.89Å; F724-Y731 HydrophobicContact CD2-CD2 4.2Å; F724-Y731 AromaticContact CD2-CE1 3.52Å; F724-Y731 HydrophobicContact CD2-CE1 3.52Å; F724-Y731 AromaticContact CD2-CE2 3.84Å; F724-Y731 HydrophobicContact CD2-CE2 3.84Å; F724-Y731 HydrophobicContact CD2-CG 4.24Å; F724-Y731 AromaticContact CD2-CZ 3.49Å; F724-Y731 VanDerWaalsContact CD2-CZ 3.49Å; F724-Y731 HydrophobicContact CE2-CE1 4.44Å; F724-Y731 HydrophobicContact CE2-CE2 4.11Å; F724-Y731 AromaticContact CE2-CZ 3.98Å; F724-Y731 HydrophobicContact CG-CD1 4.36Å; F724-Y731 AromaticContact CG-CE1 3.95Å; F724-Y731 HydrophobicContact CG-CE1 3.95Å |
| 725 | D | 92.8 | Very high | 87.3 | Confident | 3 Ų | 3 | 90.7 Ų | 90.7 | 2% | 0.016 | 49% | 0.493 | C | S | . | . | trans | -94.3 | 113.6 | 169.4 | 174.6 | 13 | 0 | 0 | 0 | 110.1 | L714 E727 S728 G729 K730 Y732 | L714-D725 HydrophobicContact CD2-CB 3.87Å; D725-E727 PolarHBondContact O-N 3Å; D725-E727 PolarHBondContact OD1-N 3.26Å; D725-S728 PolarHBondContact OD1-N 3.35Å; D725-S728 WeakPolarHBondContact OD2-CB 3.4Å; D725-S728 PolarHBondContact OD2-N 3.26Å; D725-S728 PolarHBondContact OD2-OG 3.11Å; D725-G729 WeakPolarHBondContact O-CA 3.42Å; D725-G729 PolarHBondContact O-N 3.06Å; D725-K730 PolarHBondContact N-O 3.37Å; D725-Y732 HydrophobicContact CB-CE2 3.83Å | ||
| 726 | P | 88.1 | Confident | 87.1 | Confident | 59 Ų | 59 | 90.5 Ų | 90.5 | 38% | 0.383 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -11.5 | 179.1 | 32 | -35.8 | 0 | 0 | 0 | 114.1 | K713 L715 F724 | K713-P726 VanDerWaalsContact O-CD 3.31Å; K713-P726 WeakPolarHBondContact O-CD 3.27Å; L715-P726 HydrophobicContact CD1-CB 4.21Å; L715-P726 HydrophobicContact CD1-CG 4.01Å; L715-P726 HydrophobicContact CG-CG 4.35Å; F724-P726 HydrophobicContact CE1-CB 4.01Å |
| 727 | E | 84.8 | Confident | 86.8 | Confident | 149 Ų | 149 | 90 Ų | 90 | 70% | 0.696 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -40.9 | -176.1 | -65.9 | 176.6 | -157.7 | 0 | 0 | 111.5 | D725 | D725-E727 PolarHBondContact O-N 3Å; D725-E727 PolarHBondContact OD1-N 3.26Å |
| 728 | S | 85.9 | Confident | 86.7 | Confident | 53 Ų | 53 | 92.5 Ų | 92.5 | 37% | 0.371 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -8.6 | 170.1 | 78.8 | 0 | 0 | 0 | 0 | 115.7 | D725 K730 | D725-S728 PolarHBondContact OD1-N 3.35Å; D725-S728 WeakPolarHBondContact OD2-CB 3.4Å; D725-S728 PolarHBondContact OD2-N 3.26Å; D725-S728 PolarHBondContact OD2-OG 3.11Å; S728-K730 VanDerWaalsContact C-N 3.3Å; S728-K730 PolarHBondContact O-N 3.37Å; S728-K730 WeakPolarHBondContact OG-CD 3.43Å; S728-K730 WeakPolarHBondContact OG-CG 3.44Å |
| 729 | G | 87.1 | Confident | 86.6 | Confident | 45 Ų | 45 | 92 Ų | 92 | 46% | 0.464 | 51% | 0.505 | S | S | . | . | trans | 72 | 17.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D725 | D725-G729 WeakPolarHBondContact O-CA 3.42Å; D725-G729 PolarHBondContact O-N 3.06Å | ||
| 730 | K | 90.5 | Very high | 86.8 | Confident | 119 Ų | 119 | 90.3 Ų | 90.3 | 52% | 0.517 | 49% | 0.486 | S | S | . | . | trans | -97.2 | 156.6 | -174.5 | -66.8 | 174.2 | -167.3 | 160.6 | 0 | 112.5 | F724 D725 S728 Y732 | F724-K730 WeakPolarHBondContact CA-O 3.3Å; F724-K730 WeakPolarHBondContact CD2-O 3.29Å; D725-K730 PolarHBondContact N-O 3.37Å; S728-K730 VanDerWaalsContact C-N 3.3Å; S728-K730 PolarHBondContact O-N 3.37Å; S728-K730 WeakPolarHBondContact OG-CD 3.43Å; S728-K730 WeakPolarHBondContact OG-CG 3.44Å; K730-Y732 HydrophobicContact CB-CD2 4.45Å; K730-Y732 HydrophobicContact CB-CE2 3.68Å | ||
| 731 | Y | 90.4 | Very high | 86.9 | Confident | 135 Ų | 135 | 89.3 Ų | 89.3 | 53% | 0.529 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 142.9 | 170 | -64.4 | -90.4 | 0 | 0 | 0 | 110.3 | L720 Y723 F724 | L720-Y731 HydrophobicContact CD1-CD1 4.42Å; L720-Y731 HydrophobicContact CD1-CE1 3.92Å; Y723-Y731 CarbonylContact O-C 3.53Å; Y723-Y731 VanDerWaalsContact O-CA 3.29Å; Y723-Y731 WeakPolarHBondContact O-CA 3.47Å; F724-Y731 HydrophobicContact CB-CD1 3.91Å; F724-Y731 HydrophobicContact CB-CE1 3.78Å; F724-Y731 AromaticContact CD2-CD1 3.89Å; F724-Y731 HydrophobicContact CD2-CD1 3.89Å; F724-Y731 HydrophobicContact CD2-CD2 4.2Å; F724-Y731 AromaticContact CD2-CE1 3.52Å; F724-Y731 HydrophobicContact CD2-CE1 3.52Å; F724-Y731 AromaticContact CD2-CE2 3.84Å; F724-Y731 HydrophobicContact CD2-CE2 3.84Å; F724-Y731 HydrophobicContact CD2-CG 4.24Å; F724-Y731 AromaticContact CD2-CZ 3.49Å; F724-Y731 VanDerWaalsContact CD2-CZ 3.49Å; F724-Y731 HydrophobicContact CE2-CE1 4.44Å; F724-Y731 HydrophobicContact CE2-CE2 4.11Å; F724-Y731 AromaticContact CE2-CZ 3.98Å; F724-Y731 HydrophobicContact CG-CD1 4.36Å; F724-Y731 AromaticContact CG-CE1 3.95Å; F724-Y731 HydrophobicContact CG-CE1 3.95Å |
| 732 | Y | 88.3 | Confident | 86.8 | Confident | 82 Ų | 82 | 88.8 Ų | 88.8 | 32% | 0.322 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 119 | -177.1 | -59.9 | -100.1 | 0 | 0 | 0 | 108.9 | L714 C722 Y723 D725 K730 | L714-Y732 HydrophobicContact CD2-CD2 3.95Å; L714-Y732 HydrophobicContact CD2-CE2 4.03Å; C722-Y732 WeakPolarHBondContact CA-O 3.21Å; C722-Y732 VanDerWaalsContact CB-O 3.32Å; C722-Y732 WeakPolarHBondContact CB-O 3.42Å; Y723-Y732 PolarHBondContact N-O 3.16Å; Y723-Y732 PolarHBondContact O-N 3.25Å; D725-Y732 HydrophobicContact CB-CE2 3.83Å; K730-Y732 HydrophobicContact CB-CD2 4.45Å; K730-Y732 HydrophobicContact CB-CE2 3.68Å |
| 733 | E | 86.3 | Confident | 86.3 | Confident | 177 Ų | 177 | 94.8 Ų | 94.8 | 83% | 0.827 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 154.9 | -178.8 | -64 | 179.6 | 169.9 | 0 | 0 | 111.9 | ||
| 734 | L | 79.1 | Confident | 85.8 | Confident | 88 Ų | 88 | 95.3 Ų | 95.3 | 46% | 0.461 | 52% | 0.524 | S | S | . | . | trans | -77.4 | 121.7 | 169.3 | -79.8 | 166.1 | 0 | 0 | 0 | 109.4 | Y716 Y723 | Y716-L734 HydrophobicContact CE2-CD1 3.87Å; Y723-L734 HydrophobicContact CD2-CD2 4.45Å; Y723-L734 HydrophobicContact CE2-CD2 3.74Å; Y723-L734 HydrophobicContact CE2-CG 4.4Å | ||
| 735 | A | 63.7 | Low | 85.2 | Confident | 175 Ų | 175 | 98.6 Ų | 98.6 | 100% | 1.446 | 55% | 0.548 | S | S | * | . | trans | -91.3 | 0 | 178 | 0 | 0 | 0 | 0 | 0 | 113 |
Retrieved 735 of 735 residues in 728.5 ms
(Link to these results)