| 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 | 44.3 | Very low | 86.2 | Confident | 229 Ų | 229 | 57.5 Ų | 57.5 | 100% | 1.128 | 27% | 0.272 | S | S | * | . | 0 | 98.6 | 0 | -70.8 | -178.9 | -168 | 0 | 0 | 104 | Y3 | M1-Y3 VanDerWaalsContact C-N 3.34Å; M1-Y3 PolarHBondContact O-N 3.05Å | |||
| 2 | D | 62.6 | Low | 87.2 | Confident | 163 Ų | 163 | 52.7 Ų | 52.7 | 87% | 0.872 | 25% | 0.25 | S | C | * | . | trans | -73.8 | 98.5 | 175.2 | -70.6 | -16.3 | 0 | 0 | 0 | 105.6 | ||||
| 3 | Y | 73.6 | Confident | 88.1 | Confident | 157 Ų | 157 | 48.6 Ų | 48.6 | 62% | 0.616 | 23% | 0.23 | S | C | * | . | trans | -65.1 | 135.3 | 169.7 | 54.7 | -87.5 | 0 | 0 | 0 | 107.4 | M1 R5 | M1-Y3 VanDerWaalsContact C-N 3.34Å; M1-Y3 PolarHBondContact O-N 3.05Å; Y3-R5 HydrophobicContact CD2-CG 4.18Å; Y3-R5 HydrophobicContact CE2-CG 3.88Å | ||
| 4 | T | 85 | Confident | 88.7 | Confident | 26 Ų | 26 | 45.6 Ų | 45.6 | 16% | 0.16 | 22% | 0.217 | C | C | . | . | trans | -65.4 | 139.9 | 170.6 | -59.3 | 0 | 0 | 0 | 0 | 107.9 | E6 D49 I50 | T4-E6 HydrophobicContact CG2-CG 3.92Å; T4-E6 PolarHBondContact O-N 3.38Å; T4-D49 HydrophobicContact CG2-CB 3.75Å; T4-I50 HydrophobicContact CG2-CG1 4.04Å | ||
| 5 | R | 91.9 | Very high | 89.3 | Confident | 52 Ų | 52 | 42.5 Ų | 42.5 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | trans | -95.9 | 81.4 | 177.3 | -67.6 | 178.3 | -62.3 | -169 | -0.3 | 108.4 | Y3 I50 G221 Q223 T350 P351 E352 | Y3-R5 HydrophobicContact CD2-CG 4.18Å; Y3-R5 HydrophobicContact CE2-CG 3.88Å; R5-I50 WeakPolarHBondContact O-CG2 3.46Å; R5-G221 CarbonylContact C-O 3.55Å; R5-G221 VanDerWaalsContact CA-O 3.3Å; R5-G221 WeakPolarHBondContact CA-O 3.39Å; R5-Q223 HydrophobicContact CB-CB 4.12Å; R5-Q223 HydrophobicContact CB-CG 4.1Å; R5-Q223 PolarHBondContact O-NE2 2.89Å; R5-T350 VanDerWaalsContact NH2-CG2 3.3Å; R5-T350 PolarHBondContact NH2-O 3.07Å; R5-P351 PolarHBondContact NH1-O 2.96Å; R5-P351 VanDerWaalsContact NH1-O 3.09Å; R5-E352 PolarHBondContact NH1-O 3.17Å; R5-E352 PolarHBondContact NH2-O 3.28Å | ||
| 6 | E | 96.6 | Very high | 89.9 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | trans | -74.5 | 149.9 | -171.1 | -54.3 | 94.6 | 152 | 0 | 0 | 113.1 | T4 I50 R67 C219 D220 G221 L222 Q223 | T4-E6 HydrophobicContact CG2-CG 3.92Å; T4-E6 PolarHBondContact O-N 3.38Å; E6-I50 CarbonylContact C-O 3.54Å; E6-I50 WeakPolarHBondContact CA-O 3.44Å; E6-R67 IonicContact OE1-NH2 3.81Å; E6-C219 HydrophobicContact CB-CB 4.1Å; E6-C219 HydrophobicContact CG-CB 4.37Å; E6-D220 PolarHBondContact OE1-N 2.88Å; E6-D220 PolarHBondContact OE2-N 3.37Å; E6-G221 PolarHBondContact N-O 2.97Å; E6-G221 VanDerWaalsContact N-O 3.11Å; E6-G221 WeakPolarHBondContact OE2-CA 3.29Å; E6-G221 PolarHBondContact OE2-N 2.55Å; E6-L222 WeakPolarHBondContact O-CA 3.19Å; E6-Q223 WeakPolarHBondContact O-CG 3.34Å; E6-Q223 PolarHBondContact O-N 2.59Å | ||
| 7 | I | 98.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.2 | 175.4 | -63.8 | 170.8 | 0 | 0 | 0 | 108.1 | I50 L51 Q223 G224 H226 Y345 L354 | I7-I50 HydrophobicContact CB-CG2 4.4Å; I7-I50 HydrophobicContact CD1-CG2 3.91Å; I7-I50 HydrophobicContact CG1-CG2 4.05Å; I7-I50 PolarHBondContact N-O 2.94Å; I7-L51 HydrophobicContact CB-CD2 3.98Å; I7-L51 HydrophobicContact CG2-CD2 4.26Å; I7-Q223 HydrophobicContact CD1-CG 4.15Å; I7-Q223 HydrophobicContact CG1-CG 3.48Å; I7-Q223 VanDerWaalsContact CG1-CG 3.48Å; I7-G224 WeakPolarHBondContact CA-O 3.43Å; I7-H226 HydrophobicContact CG2-CB 4.32Å; I7-Y345 HydrophobicContact CD1-CD2 4.04Å; I7-Y345 HydrophobicContact CD1-CE2 3.62Å; I7-L354 HydrophobicContact CD1-CB 4.33Å; I7-L354 HydrophobicContact CD1-CD2 4.26Å; I7-L354 HydrophobicContact CG1-CD2 4.46Å |
| 8 | L | 98.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 127.3 | 169.7 | 177.2 | 60.3 | 0 | 0 | 0 | 109.2 | F10 R67 L69 I212 Y215 V216 L222 G224 F225 H226 | L8-F10 HydrophobicContact CB-CE2 4.3Å; L8-F10 HydrophobicContact CD2-CE1 4.39Å; L8-F10 HydrophobicContact CD2-CE2 3.81Å; L8-F10 HydrophobicContact CD2-CZ 3.49Å; L8-F10 VanDerWaalsContact CD2-CZ 3.49Å; L8-F10 HydrophobicContact CG-CD2 4.41Å; L8-F10 HydrophobicContact CG-CE2 3.67Å; L8-F10 HydrophobicContact CG-CZ 3.82Å; L8-R67 HydrophobicContact CD1-CB 4.25Å; L8-R67 WeakPolarHBondContact CD1-O 3.21Å; L8-L69 HydrophobicContact CD2-CD1 4.46Å; L8-I212 HydrophobicContact CD2-CG2 4.27Å; L8-Y215 HydrophobicContact CD1-CD2 4.02Å; L8-Y215 HydrophobicContact CD1-CG 4.03Å; L8-V216 HydrophobicContact CD2-CG2 4.27Å; L8-L222 HydrophobicContact CB-CD1 4.39Å; L8-G224 PolarHBondContact N-O 2.89Å; L8-F225 HydrophobicContact CB-CD1 3.99Å; L8-F225 HydrophobicContact CB-CE1 4.24Å; L8-F225 HydrophobicContact CD2-CE1 4.48Å; L8-F225 VanDerWaalsContact O-CA 3.32Å; L8-F225 WeakPolarHBondContact O-CA 3.33Å; L8-H226 PolarHBondContact O-N 2.91Å; L8-H226 VanDerWaalsContact O-N 3.12Å |
| 9 | T | 98.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 138.5 | -179.7 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | Q11 W24 R67 L68 L69 H226 L228 | T9-Q11 HydrophobicContact CG2-CG 4.47Å; T9-W24 HydrophobicContact CG2-CH2 4.2Å; T9-W24 HydrophobicContact CG2-CZ2 3.73Å; T9-R67 PolarHBondContact N-O 3.44Å; T9-L68 HydrophobicContact CG2-CD1 4.16Å; T9-L68 WeakPolarHBondContact O-CA 3.32Å; T9-L69 PolarHBondContact O-N 3.41Å; T9-H226 CarbonylContact C-O 3.58Å; T9-H226 WeakPolarHBondContact CA-O 3.31Å; T9-H226 HydrophobicContact CG2-CB 4.02Å; T9-L228 HydrophobicContact CG2-CD1 4.1Å |
| 10 | F | 98.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 138.1 | 176.9 | -64.1 | -94.2 | 0 | 0 | 0 | 110.6 | L8 F12 L69 F208 I212 F225 H226 V227 L228 L246 | L8-F10 HydrophobicContact CB-CE2 4.3Å; L8-F10 HydrophobicContact CD2-CE1 4.39Å; L8-F10 HydrophobicContact CD2-CE2 3.81Å; L8-F10 HydrophobicContact CD2-CZ 3.49Å; L8-F10 VanDerWaalsContact CD2-CZ 3.49Å; L8-F10 HydrophobicContact CG-CD2 4.41Å; L8-F10 HydrophobicContact CG-CE2 3.67Å; L8-F10 HydrophobicContact CG-CZ 3.82Å; F10-F12 HydrophobicContact CB-CD2 4.26Å; F10-F12 HydrophobicContact CB-CE2 3.58Å; F10-F12 HydrophobicContact CB-CZ 4.25Å; F10-F12 HydrophobicContact CD1-CE2 4.2Å; F10-F12 HydrophobicContact CD1-CZ 4.05Å; F10-F12 HydrophobicContact CG-CE2 4.24Å; F10-L69 CarbonylContact C-O 3.46Å; F10-L69 VanDerWaalsContact CA-O 3.29Å; F10-L69 WeakPolarHBondContact CA-O 3.39Å; F10-L69 HydrophobicContact CD1-CB 3.97Å; F10-L69 HydrophobicContact CD1-CD1 4.34Å; F10-L69 HydrophobicContact CE1-CB 4.14Å; F10-L69 HydrophobicContact CE1-CD1 3.67Å; F10-L69 HydrophobicContact CE1-CG 4.48Å; F10-L69 HydrophobicContact CZ-CD1 4.31Å; F10-F208 HydrophobicContact CD1-CE1 4.31Å; F10-F208 HydrophobicContact CD1-CZ 4.08Å; F10-F208 HydrophobicContact CE1-CE1 4.18Å; F10-F208 HydrophobicContact CE1-CZ 4.25Å; F10-I212 HydrophobicContact CE1-CD1 3.89Å; F10-I212 HydrophobicContact CE1-CG1 3.73Å; F10-I212 HydrophobicContact CZ-CD1 4.23Å; F10-I212 HydrophobicContact CZ-CG1 4Å; F10-I212 HydrophobicContact CZ-CG2 4.26Å; F10-F225 HydrophobicContact CD2-CB 4.48Å; F10-F225 HydrophobicContact CE2-CB 4.34Å; F10-F225 AromaticContact CE2-CD1 3.71Å; F10-F225 HydrophobicContact CE2-CD1 3.71Å; F10-F225 HydrophobicContact CE2-CE1 4.33Å; F10-F225 HydrophobicContact CE2-CG 4.23Å; F10-H226 PolarHBondContact N-O 3.25Å; F10-V227 HydrophobicContact CB-CG1 4.26Å; F10-V227 HydrophobicContact CB-CG2 4.25Å; F10-V227 HydrophobicContact CD2-CG2 4.1Å; F10-V227 HydrophobicContact CG-CG2 4.5Å; F10-L228 PolarHBondContact O-N 2.76Å; F10-L246 HydrophobicContact CD2-CD1 4.07Å; F10-L246 HydrophobicContact CE2-CD1 3.64Å; F10-L246 HydrophobicContact CE2-CD2 4.06Å; F10-L246 HydrophobicContact CZ-CD1 3.95Å; F10-L246 HydrophobicContact CZ-CD2 3.74Å; F10-L246 HydrophobicContact CZ-CG 4.42Å |
| 11 | Q | 98.8 | Very high | 92 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 113.8 | 177.6 | -64.4 | 171.2 | 3.1 | 0 | 0 | 109 | T9 N17 L68 L69 S70 V71 L228 | T9-Q11 HydrophobicContact CG2-CG 4.47Å; Q11-N17 WeakPolarHBondContact CB-OD1 3.42Å; Q11-N17 PolarHBondContact OE1-OD1 3.41Å; Q11-L68 HydrophobicContact CB-CD1 4.22Å; Q11-L68 HydrophobicContact CG-CD1 3.63Å; Q11-L69 PolarHBondContact N-O 3.32Å; Q11-S70 CarbonylContact O-C 3.57Å; Q11-S70 WeakPolarHBondContact O-CA 3.37Å; Q11-V71 PolarHBondContact O-N 3.22Å; Q11-L228 CarbonylContact C-O 3.54Å; Q11-L228 WeakPolarHBondContact CA-O 3.41Å; Q11-L228 HydrophobicContact CG-CB 4.41Å |
| 12 | F | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 105 | 179.6 | -60.8 | -87.2 | 0 | 0 | 0 | 110.1 | F10 V71 F208 V227 L228 F229 D230 F235 L238 A239 C242 | F10-F12 HydrophobicContact CB-CD2 4.26Å; F10-F12 HydrophobicContact CB-CE2 3.58Å; F10-F12 HydrophobicContact CB-CZ 4.25Å; F10-F12 HydrophobicContact CD1-CE2 4.2Å; F10-F12 HydrophobicContact CD1-CZ 4.05Å; F10-F12 HydrophobicContact CG-CE2 4.24Å; F12-V71 HydrophobicContact CD1-CB 3.8Å; F12-V71 HydrophobicContact CD1-CG2 3.56Å; F12-V71 HydrophobicContact CE1-CB 4.29Å; F12-V71 HydrophobicContact CE1-CG2 3.53Å; F12-F208 HydrophobicContact CE1-CE1 4.03Å; F12-F208 AromaticContact CE1-CZ 3.78Å; F12-F208 HydrophobicContact CE1-CZ 3.78Å; F12-F208 AromaticContact CZ-CE1 3.92Å; F12-F208 HydrophobicContact CZ-CE1 3.92Å; F12-F208 AromaticContact CZ-CZ 3.83Å; F12-F208 HydrophobicContact CZ-CZ 3.83Å; F12-V227 HydrophobicContact CD2-CG1 4.16Å; F12-V227 HydrophobicContact CE2-CG1 4.05Å; F12-L228 PolarHBondContact N-O 3.26Å; F12-F229 HydrophobicContact CB-CB 3.79Å; F12-F229 HydrophobicContact CD2-CB 4.41Å; F12-F229 CarbonylContact O-C 3.48Å; F12-F229 WeakPolarHBondContact O-CA 3.3Å; F12-D230 PolarHBondContact O-N 2.97Å; F12-F235 HydrophobicContact CB-CB 4.14Å; F12-F235 HydrophobicContact CB-CD1 4.11Å; F12-F235 WeakPolarHBondContact O-CB 3.28Å; F12-L238 HydrophobicContact CD1-CD2 3.92Å; F12-L238 HydrophobicContact CD1-CG 3.87Å; F12-L238 HydrophobicContact CE1-CD2 4.4Å; F12-L238 HydrophobicContact CE1-CG 4.1Å; F12-A239 HydrophobicContact CB-CB 4.07Å; F12-A239 HydrophobicContact CD2-CB 3.53Å; F12-A239 HydrophobicContact CE2-CB 4.09Å; F12-A239 HydrophobicContact CG-CB 3.85Å; F12-C242 HydrophobicContact CE1-CB 4.3Å; F12-C242 HydrophobicContact CE2-CB 4.07Å; F12-C242 HydrophobicContact CZ-CB 3.55Å |
| 13 | G | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | S | Bend | trans | 113.6 | 160.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y15 A16 N17 V71 F235 | G13-Y15 PolarHBondContact O-N 2.84Å; G13-A16 WeakPolarHBondContact O-CB 3.42Å; G13-A16 PolarHBondContact O-N 2.92Å; G13-N17 VanDerWaalsContact O-CG 3.27Å; G13-N17 PolarHBondContact O-N 2.69Å; G13-N17 PolarHBondContact O-ND2 2.77Å; G13-N17 VanDerWaalsContact O-ND2 3.12Å; G13-V71 PolarHBondContact N-O 3.15Å; G13-F235 VanDerWaalsContact CA-CE2 3.47Å |
| 14 | T | 96.4 | Very high | 97.4 | Very high | 6 Ų | 6 | 4.9 Ų | 4.9 | 4% | 0.037 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -62.4 | -45.5 | -171.7 | -58 | 0 | 0 | 0 | 0 | 111.1 | N17 Y18 D72 T76 D230 | T14-N17 PolarHBondContact O-N 3.42Å; T14-Y18 HydrophobicContact CG2-CD2 4.12Å; T14-Y18 HydrophobicContact CG2-CE2 3.96Å; T14-Y18 WeakPolarHBondContact O-CD2 3.43Å; T14-Y18 PolarHBondContact O-N 3.43Å; T14-D72 PolarHBondContact N-OD1 2.95Å; T14-D72 PolarHBondContact OG1-OD1 2.83Å; T14-T76 HydrophobicContact CG2-CG2 4.49Å; T14-D230 PolarHBondContact N-OD2 2.86Å; T14-D230 VanDerWaalsContact N-OD2 3.12Å |
| 15 | Y | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -72.6 | -34.4 | -178.4 | -173.4 | -124.4 | 0 | 0 | 0 | 112.1 | G13 N17 Y18 V19 D230 L259 H260 Y261 P262 L327 T330 L334 | G13-Y15 PolarHBondContact O-N 2.84Å; Y15-N17 VanDerWaalsContact C-N 3.26Å; Y15-N17 PolarHBondContact O-N 3.12Å; Y15-Y18 WeakPolarHBondContact O-CB 3.46Å; Y15-Y18 PolarHBondContact O-N 2.87Å; Y15-Y18 VanDerWaalsContact O-N 3.08Å; Y15-V19 HydrophobicContact CE1-CG2 4.42Å; Y15-V19 PolarHBondContact O-N 3.22Å; Y15-D230 WeakPolarHBondContact CB-OD1 3.39Å; Y15-D230 PolarHBondContact N-OD1 2.79Å; Y15-D230 PolarHBondContact N-OD2 2.88Å; Y15-L259 HydrophobicContact CD1-CB 4.02Å; Y15-L259 HydrophobicContact CE1-CB 4.38Å; Y15-H260 WeakPolarHBondContact CE1-O 3.38Å; Y15-Y261 PolarHBondContact N-OH 3.37Å; Y15-P262 HydrophobicContact CE2-CG 4.43Å; Y15-L327 HydrophobicContact CD2-CB 4.4Å; Y15-L327 HydrophobicContact CD2-CD2 3.84Å; Y15-L327 HydrophobicContact CE2-CB 4.47Å; Y15-L327 HydrophobicContact CE2-CD2 3.95Å; Y15-T330 WeakPolarHBondContact OH-CB 3.21Å; Y15-T330 PolarHBondContact OH-OG1 3.26Å; Y15-L334 HydrophobicContact CE1-CD1 3.87Å |
| 16 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -56.2 | -39.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G13 V19 G20 L228 D230 L259 | G13-A16 WeakPolarHBondContact O-CB 3.42Å; G13-A16 PolarHBondContact O-N 2.92Å; A16-V19 PolarHBondContact O-N 3.47Å; A16-G20 WeakPolarHBondContact O-CA 3.27Å; A16-G20 PolarHBondContact O-N 3.41Å; A16-L228 HydrophobicContact CB-CB 4.23Å; A16-D230 PolarHBondContact N-OD1 3.41Å; A16-L259 VanDerWaalsContact CA-CD1 3.43Å; A16-L259 HydrophobicContact CB-CD1 3.85Å |
| 17 | N | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 2 Ų | 2 | 1% | 0.005 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -72.6 | -31.5 | 174.4 | -66.2 | -34.1 | 0 | 0 | 0 | 112.8 | Q11 G13 T14 Y15 G20 T21 S70 V71 D72 W161 | Q11-N17 WeakPolarHBondContact CB-OD1 3.42Å; Q11-N17 PolarHBondContact OE1-OD1 3.41Å; G13-N17 VanDerWaalsContact O-CG 3.27Å; G13-N17 PolarHBondContact O-N 2.69Å; G13-N17 PolarHBondContact O-ND2 2.77Å; G13-N17 VanDerWaalsContact O-ND2 3.12Å; T14-N17 PolarHBondContact O-N 3.42Å; Y15-N17 VanDerWaalsContact C-N 3.26Å; Y15-N17 PolarHBondContact O-N 3.12Å; N17-G20 PolarHBondContact O-N 2.95Å; N17-T21 WeakPolarHBondContact O-CB 3.26Å; N17-T21 PolarHBondContact O-N 3.14Å; N17-T21 PolarHBondContact O-OG1 3.3Å; N17-S70 PolarHBondContact ND2-OG 2.9Å; N17-S70 PolarHBondContact OD1-OG 3.29Å; N17-V71 PolarHBondContact ND2-O 3.12Å; N17-D72 VanDerWaalsContact ND2-CB 3.33Å; N17-D72 WeakPolarHBondContact ND2-CB 3.4Å; N17-D72 PolarHBondContact ND2-OD2 2.96Å; N17-W161 VanDerWaalsContact CB-CD1 3.48Å; N17-W161 HydrophobicContact CB-CD2 3.87Å; N17-W161 HydrophobicContact CB-CG 3.75Å; N17-W161 HydrophobicContact CB-CZ2 4.42Å |
| 18 | Y | 98.5 | Very high | 97.8 | Very high | 5 Ų | 5 | 3 Ų | 3 | 2% | 0.02 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -61.7 | -48.7 | 169.5 | -91.1 | -96.9 | 0 | 0 | 0 | 111.8 | T14 Y15 G20 T21 H22 N159 S160 W161 F164 L327 | T14-Y18 HydrophobicContact CG2-CD2 4.12Å; T14-Y18 HydrophobicContact CG2-CE2 3.96Å; T14-Y18 WeakPolarHBondContact O-CD2 3.43Å; T14-Y18 PolarHBondContact O-N 3.43Å; Y15-Y18 WeakPolarHBondContact O-CB 3.46Å; Y15-Y18 PolarHBondContact O-N 2.87Å; Y15-Y18 VanDerWaalsContact O-N 3.08Å; Y18-G20 VanDerWaalsContact C-N 3.34Å; Y18-T21 PolarHBondContact O-N 3.36Å; Y18-H22 PolarHBondContact O-N 3.45Å; Y18-N159 PolarHBondContact OH-O 2.98Å; Y18-N159 VanDerWaalsContact OH-O 3.05Å; Y18-S160 WeakPolarHBondContact OH-CA 3.32Å; Y18-S160 PolarHBondContact OH-N 3.18Å; Y18-W161 HydrophobicContact CD1-CB 4.27Å; Y18-W161 HydrophobicContact CD2-CB 3.78Å; Y18-W161 HydrophobicContact CD2-CG 4.38Å; Y18-W161 HydrophobicContact CE2-CB 4.11Å; Y18-W161 HydrophobicContact CG-CB 3.86Å; Y18-F164 AromaticContact CD1-CE1 3.6Å; Y18-F164 HydrophobicContact CD1-CE1 3.6Å; Y18-F164 AromaticContact CD1-CZ 3.62Å; Y18-F164 HydrophobicContact CD1-CZ 3.62Å; Y18-F164 AromaticContact CE1-CE1 3.66Å; Y18-F164 HydrophobicContact CE1-CE1 3.66Å; Y18-F164 HydrophobicContact CE1-CZ 4.18Å; Y18-F164 HydrophobicContact CG-CZ 4.37Å; Y18-L327 HydrophobicContact CD1-CB 3.76Å; Y18-L327 HydrophobicContact CD2-CB 4.33Å; Y18-L327 HydrophobicContact CD2-CD1 4.36Å; Y18-L327 HydrophobicContact CE1-CB 3.65Å; Y18-L327 HydrophobicContact CE2-CB 4.26Å; Y18-L327 HydrophobicContact CE2-CD1 4.01Å; Y18-L327 HydrophobicContact CG-CB 4.1Å |
| 19 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -63.5 | -44.3 | 176.6 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | Y15 A16 T21 H22 F23 L228 L259 L334 A335 | Y15-V19 HydrophobicContact CE1-CG2 4.42Å; Y15-V19 PolarHBondContact O-N 3.22Å; A16-V19 PolarHBondContact O-N 3.47Å; V19-T21 PolarHBondContact O-N 3.12Å; V19-H22 PolarHBondContact O-N 3.11Å; V19-F23 PolarHBondContact O-N 2.88Å; V19-L228 HydrophobicContact CB-CD2 4.4Å; V19-L228 HydrophobicContact CG1-CD2 3.87Å; V19-L259 HydrophobicContact CB-CD1 4.11Å; V19-L259 HydrophobicContact CG2-CD1 3.86Å; V19-L334 HydrophobicContact CG1-CB 4.07Å; V19-L334 HydrophobicContact CG2-CB 4.03Å; V19-L334 HydrophobicContact CG2-CD1 4.14Å; V19-A335 HydrophobicContact CG1-CB 4.2Å; V19-A335 WeakPolarHBondContact O-CB 2.87Å |
| 20 | G | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -55.4 | -49.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | A16 N17 Y18 H22 F23 W24 | A16-G20 WeakPolarHBondContact O-CA 3.27Å; A16-G20 PolarHBondContact O-N 3.41Å; N17-G20 PolarHBondContact O-N 2.95Å; Y18-G20 VanDerWaalsContact C-N 3.34Å; G20-H22 PolarHBondContact O-N 2.7Å; G20-F23 WeakPolarHBondContact O-CB 3.39Å; G20-F23 PolarHBondContact O-N 3.42Å; G20-F23 VanDerWaalsContact O-N 3.09Å; G20-W24 PolarHBondContact O-N 3.33Å |
| 21 | T | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -57.8 | -47.7 | 179 | -68.2 | 0 | 0 | 0 | 0 | 112 | N17 Y18 V19 F23 W24 N25 W161 F164 L165 | N17-T21 WeakPolarHBondContact O-CB 3.26Å; N17-T21 PolarHBondContact O-N 3.14Å; N17-T21 PolarHBondContact O-OG1 3.3Å; Y18-T21 PolarHBondContact O-N 3.36Å; V19-T21 PolarHBondContact O-N 3.12Å; T21-F23 VanDerWaalsContact C-N 3.29Å; T21-F23 PolarHBondContact O-N 3.34Å; T21-W24 PolarHBondContact O-N 3.34Å; T21-N25 WeakPolarHBondContact O-CB 3.4Å; T21-N25 PolarHBondContact O-N 3.27Å; T21-N25 PolarHBondContact O-ND2 3.29Å; T21-N25 PolarHBondContact O-OD1 3.13Å; T21-W161 WeakPolarHBondContact CG2-O 3.26Å; T21-F164 HydrophobicContact CG2-CD2 3.56Å; T21-F164 HydrophobicContact CG2-CE2 3.36Å; T21-F164 HydrophobicContact CG2-CG 4.4Å; T21-F164 HydrophobicContact CG2-CZ 4.1Å; T21-L165 HydrophobicContact CG2-CB 3.89Å; T21-L165 HydrophobicContact CG2-CD1 3.79Å; T21-L165 HydrophobicContact CG2-CG 4.48Å |
| 22 | H | 98.7 | Very high | 95.2 | Very high | 7 Ų | 7 | 10.2 Ų | 10.2 | 3% | 0.032 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.6 | -38 | 175.7 | -84 | -60.6 | 0 | 0 | 0 | 112.4 | Y18 V19 G20 N25 Q26 F164 Y328 S331 A332 A335 P478 | Y18-H22 PolarHBondContact O-N 3.45Å; V19-H22 PolarHBondContact O-N 3.11Å; G20-H22 PolarHBondContact O-N 2.7Å; H22-N25 PolarHBondContact O-N 3.11Å; H22-Q26 VanDerWaalsContact O-CB 3.31Å; H22-Q26 WeakPolarHBondContact O-CB 3.3Å; H22-Q26 PolarHBondContact O-N 3.14Å; H22-F164 AromaticContact CD2-CE2 3.45Å; H22-F164 VanDerWaalsContact CD2-CE2 3.45Å; H22-F164 WeakPolarHBondContact CD2-CE2 3.49Å; H22-F164 AromaticContact CD2-CZ 3.94Å; H22-F164 AromaticContact CE1-CD2 3.78Å; H22-F164 AromaticContact CE1-CE2 3.62Å; H22-F164 AromaticContact CG-CE2 3.8Å; H22-F164 AromaticContact ND1-CE2 3.91Å; H22-F164 AromaticContact NE2-CD2 3.92Å; H22-F164 AromaticContact NE2-CE2 3.34Å; H22-F164 VanDerWaalsContact NE2-CE2 3.34Å; H22-F164 WeakPolarHBondContact NE2-CE2 3.21Å; H22-F164 AromaticContact NE2-CZ 3.82Å; H22-Y328 AromaticContact CE1-CD2 3.77Å; H22-Y328 AromaticContact CE1-CE2 3.5Å; H22-Y328 AromaticContact NE2-CD2 3.5Å; H22-Y328 WeakPolarHBondContact NE2-CD2 3.36Å; H22-Y328 AromaticContact NE2-CE2 3.74Å; H22-Y328 PolarHBondContact NE2-O 2.71Å; H22-S331 PolarHBondContact CD2-OG 2.84Å; H22-S331 VanDerWaalsContact CD2-OG 3.24Å; H22-A332 PolarHBondContact CD2-N 3.4Å; H22-A335 HydrophobicContact CB-CB 3.41Å; H22-A335 VanDerWaalsContact CB-CB 3.41Å; H22-P478 PolarHBondContact CE1-O 3.18Å |
| 23 | F | 98.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.7 | -44.6 | 176.6 | 172.5 | -107.4 | 0 | 0 | 0 | 111.9 | V19 G20 T21 Q26 Q27 L51 A335 F338 D339 | V19-F23 PolarHBondContact O-N 2.88Å; G20-F23 WeakPolarHBondContact O-CB 3.39Å; G20-F23 PolarHBondContact O-N 3.42Å; G20-F23 VanDerWaalsContact O-N 3.09Å; T21-F23 VanDerWaalsContact C-N 3.29Å; T21-F23 PolarHBondContact O-N 3.34Å; F23-Q26 WeakPolarHBondContact O-CB 3.33Å; F23-Q26 PolarHBondContact O-N 3.09Å; F23-Q27 HydrophobicContact CE1-CG 4.32Å; F23-Q27 HydrophobicContact CE2-CG 4.5Å; F23-Q27 HydrophobicContact CZ-CG 4.25Å; F23-Q27 WeakPolarHBondContact O-CG 3.49Å; F23-Q27 PolarHBondContact O-N 3.01Å; F23-Q27 PolarHBondContact O-NE2 2.9Å; F23-L51 HydrophobicContact CE1-CD1 3.96Å; F23-L51 HydrophobicContact CZ-CD1 3.53Å; F23-A335 HydrophobicContact CB-CB 4.27Å; F23-F338 HydrophobicContact CB-CD1 4.4Å; F23-F338 HydrophobicContact CD1-CD1 4.24Å; F23-F338 HydrophobicContact CD1-CE1 4.03Å; F23-F338 AromaticContact CD2-CD1 3.47Å; F23-F338 HydrophobicContact CD2-CD1 3.47Å; F23-F338 VanDerWaalsContact CD2-CD1 3.47Å; F23-F338 AromaticContact CD2-CE1 3.94Å; F23-F338 HydrophobicContact CD2-CE1 3.94Å; F23-F338 HydrophobicContact CD2-CG 4.35Å; F23-F338 HydrophobicContact CE1-CD1 4.37Å; F23-F338 AromaticContact CE1-CE1 3.85Å; F23-F338 HydrophobicContact CE1-CE1 3.85Å; F23-F338 AromaticContact CE2-CD1 3.64Å; F23-F338 HydrophobicContact CE2-CD1 3.64Å; F23-F338 AromaticContact CE2-CE1 3.76Å; F23-F338 HydrophobicContact CE2-CE1 3.76Å; F23-F338 HydrophobicContact CE2-CG 4.42Å; F23-F338 AromaticContact CG-CD1 3.78Å; F23-F338 HydrophobicContact CG-CD1 3.78Å; F23-F338 HydrophobicContact CG-CE1 4.05Å; F23-F338 HydrophobicContact CZ-CD1 4.08Å; F23-F338 AromaticContact CZ-CE1 3.7Å; F23-F338 HydrophobicContact CZ-CE1 3.7Å; F23-F338 HydrophobicContact CZ-CZ 4.45Å; F23-D339 HydrophobicContact CD2-CB 4.03Å; F23-D339 HydrophobicContact CE2-CB 4.22Å |
| 24 | W | 98.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.2 | -42.9 | 176.9 | -60.2 | 126 | 0 | 0 | 0 | 112.5 | T9 G20 T21 Q26 Q27 E28 L51 Y52 P66 L68 A167 Y169 | T9-W24 HydrophobicContact CG2-CH2 4.2Å; T9-W24 HydrophobicContact CG2-CZ2 3.73Å; G20-W24 PolarHBondContact O-N 3.33Å; T21-W24 PolarHBondContact O-N 3.34Å; W24-Q26 PolarHBondContact O-N 3.1Å; W24-Q27 HydrophobicContact CE3-CG 4.16Å; W24-Q27 HydrophobicContact CZ3-CG 4.49Å; W24-Q27 WeakPolarHBondContact O-CB 3.45Å; W24-Q27 PolarHBondContact O-N 2.94Å; W24-E28 PolarHBondContact O-N 3.03Å; W24-L51 HydrophobicContact CZ3-CB 4.05Å; W24-L51 HydrophobicContact CZ3-CD1 4.4Å; W24-Y52 AromaticContact CE3-CE2 3.85Å; W24-Y52 HydrophobicContact CE3-CE2 3.85Å; W24-Y52 HydrophobicContact CZ3-CE2 4Å; W24-Y52 PolarHBondContact O-OH 3.14Å; W24-P66 HydrophobicContact CD2-CB 3.93Å; W24-P66 HydrophobicContact CD2-CG 4.02Å; W24-P66 HydrophobicContact CE3-CB 3.79Å; W24-P66 HydrophobicContact CE3-CG 3.99Å; W24-P66 HydrophobicContact CG-CG 4.31Å; W24-P66 HydrophobicContact CH2-CB 3.99Å; W24-P66 HydrophobicContact CZ2-CB 4.11Å; W24-P66 HydrophobicContact CZ3-CB 3.82Å; W24-P66 HydrophobicContact CZ3-CG 4.49Å; W24-L68 HydrophobicContact CZ2-CB 3.91Å; W24-L68 HydrophobicContact CZ2-CD1 3.93Å; W24-L68 HydrophobicContact CZ2-CD2 4.26Å; W24-L68 HydrophobicContact CZ2-CG 4.22Å; W24-A167 HydrophobicContact CB-CB 3.91Å; W24-Y169 VanDerWaalsContact CD1-OH 3.23Å |
| 25 | N | 96.7 | Very high | 90.4 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.053 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.3 | -40.8 | 172.8 | -65.8 | -14.9 | 0 | 0 | 0 | 110.8 | T21 H22 E28 A29 F164 Y166 P478 | T21-N25 WeakPolarHBondContact O-CB 3.4Å; T21-N25 PolarHBondContact O-N 3.27Å; T21-N25 PolarHBondContact O-ND2 3.29Å; T21-N25 PolarHBondContact O-OD1 3.13Å; H22-N25 PolarHBondContact O-N 3.11Å; N25-E28 PolarHBondContact O-N 3.15Å; N25-A29 WeakPolarHBondContact O-CB 3.4Å; N25-A29 PolarHBondContact O-N 3.39Å; N25-F164 PolarHBondContact ND2-O 2.98Å; N25-Y166 VanDerWaalsContact OD1-CB 3.26Å; N25-Y166 WeakPolarHBondContact OD1-CB 3.49Å; N25-Y166 PolarHBondContact OD1-N 2.89Å; N25-P478 HydrophobicContact CB-CG 4.21Å; N25-P478 WeakPolarHBondContact ND2-CG 3.42Å |
| 26 | Q | 95.1 | Very high | 88.3 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.5 | -35.7 | 177.1 | -168.4 | 61.3 | 57.5 | 0 | 0 | 112.8 | H22 F23 W24 N30 D339 L473 K474 | H22-Q26 VanDerWaalsContact O-CB 3.31Å; H22-Q26 WeakPolarHBondContact O-CB 3.3Å; H22-Q26 PolarHBondContact O-N 3.14Å; F23-Q26 WeakPolarHBondContact O-CB 3.33Å; F23-Q26 PolarHBondContact O-N 3.09Å; W24-Q26 PolarHBondContact O-N 3.1Å; Q26-N30 PolarHBondContact O-ND2 2.95Å; Q26-D339 HydrophobicContact CG-CB 4.18Å; Q26-D339 WeakPolarHBondContact CG-OD2 3.37Å; Q26-L473 VanDerWaalsContact CD-CD1 3.45Å; Q26-L473 HydrophobicContact CG-CD1 3.92Å; Q26-K474 PolarHBondContact OE1-O 3.45Å; Q26-K474 VanDerWaalsContact OE1-O 3.05Å |
| 27 | Q | 94.9 | Very high | 86.1 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -51 | 173.4 | -65.5 | -40.1 | -73.8 | 0 | 0 | 110.7 | F23 W24 A29 N30 F31 L51 Y52 D339 | F23-Q27 HydrophobicContact CE1-CG 4.32Å; F23-Q27 HydrophobicContact CE2-CG 4.5Å; F23-Q27 HydrophobicContact CZ-CG 4.25Å; F23-Q27 WeakPolarHBondContact O-CG 3.49Å; F23-Q27 PolarHBondContact O-N 3.01Å; F23-Q27 PolarHBondContact O-NE2 2.9Å; W24-Q27 HydrophobicContact CE3-CG 4.16Å; W24-Q27 HydrophobicContact CZ3-CG 4.49Å; W24-Q27 WeakPolarHBondContact O-CB 3.45Å; W24-Q27 PolarHBondContact O-N 2.94Å; Q27-A29 VanDerWaalsContact C-N 3.29Å; Q27-A29 PolarHBondContact O-N 3.01Å; Q27-N30 WeakPolarHBondContact O-CA 3.33Å; Q27-N30 WeakPolarHBondContact O-CB 3.32Å; Q27-N30 PolarHBondContact O-N 3.46Å; Q27-F31 WeakPolarHBondContact O-CD1 3.39Å; Q27-L51 HydrophobicContact CG-CD1 4.09Å; Q27-Y52 HydrophobicContact CB-CE2 3.67Å; Q27-Y52 HydrophobicContact CG-CE2 4.09Å; Q27-D339 PolarHBondContact NE2-OD1 3.29Å |
| 28 | E | 92.2 | Very high | 83.9 | Confident | 22 Ų | 22 | 46 Ų | 46 | 10% | 0.103 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.1 | -31.8 | -177.7 | -59.2 | -157.2 | -172.1 | 0 | 0 | 112.5 | W24 N25 N30 F31 Y52 Y166 A167 | W24-E28 PolarHBondContact O-N 3.03Å; N25-E28 PolarHBondContact O-N 3.15Å; E28-N30 PolarHBondContact O-N 3.47Å; E28-N30 VanDerWaalsContact O-N 3.1Å; E28-F31 HydrophobicContact CB-CD2 4.1Å; E28-F31 HydrophobicContact CB-CE2 4.04Å; E28-F31 HydrophobicContact CB-CZ 4.43Å; E28-F31 HydrophobicContact CG-CD2 4.18Å; E28-F31 HydrophobicContact CG-CE2 3.61Å; E28-F31 HydrophobicContact CG-CZ 3.87Å; E28-F31 VanDerWaalsContact O-CB 3.32Å; E28-F31 WeakPolarHBondContact O-CB 3.47Å; E28-F31 PolarHBondContact O-N 3.46Å; E28-Y52 HydrophobicContact CG-CE1 4.1Å; E28-Y52 WeakPolarHBondContact CG-OH 3.43Å; E28-Y52 WeakPolarHBondContact OE1-CE1 3.35Å; E28-Y52 PolarHBondContact OE1-OH 3.28Å; E28-Y166 HydrophobicContact CB-CD1 3.95Å; E28-Y166 HydrophobicContact CB-CE1 4.04Å; E28-Y166 HydrophobicContact CG-CD1 4.43Å; E28-Y166 WeakPolarHBondContact OE2-CD1 3.21Å; E28-Y166 WeakPolarHBondContact OE2-CE1 3.29Å; E28-A167 HydrophobicContact CG-CB 4.39Å; E28-A167 WeakPolarHBondContact OE1-CA 3.24Å; E28-A167 WeakPolarHBondContact OE1-CB 3.21Å |
| 29 | A | 89.7 | Confident | 82.3 | Confident | 37 Ų | 37 | 54 Ų | 54 | 31% | 0.306 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58 | -25 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N25 Q27 K474 | N25-A29 WeakPolarHBondContact O-CB 3.4Å; N25-A29 PolarHBondContact O-N 3.39Å; Q27-A29 VanDerWaalsContact C-N 3.29Å; Q27-A29 PolarHBondContact O-N 3.01Å; A29-K474 HydrophobicContact CB-CB 4.32Å; A29-K474 HydrophobicContact CB-CD 4.05Å; A29-K474 WeakPolarHBondContact O-CD 3.21Å; A29-K474 VanDerWaalsContact O-CE 3.28Å; A29-K474 WeakPolarHBondContact O-CE 3.04Å; A29-K474 PolarHBondContact O-NZ 3.42Å |
| 30 | N | 87.3 | Confident | 81.1 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -0.4 | 177.1 | -61.3 | -40.7 | 0 | 0 | 0 | 113.8 | Q26 Q27 E28 P46 | Q26-N30 PolarHBondContact O-ND2 2.95Å; Q27-N30 WeakPolarHBondContact O-CA 3.33Å; Q27-N30 WeakPolarHBondContact O-CB 3.32Å; Q27-N30 PolarHBondContact O-N 3.46Å; E28-N30 PolarHBondContact O-N 3.47Å; E28-N30 VanDerWaalsContact O-N 3.1Å; N30-P46 HydrophobicContact CB-CG 4.46Å |
| 31 | F | 88.1 | Confident | 80.3 | Confident | 16 Ų | 16 | 57.3 Ų | 57.3 | 7% | 0.07 | 31% | 0.306 | C | S | . | . | trans | -65.8 | 139.2 | 173.6 | -66.4 | -3.3 | 0 | 0 | 0 | 109.9 | Q27 E28 Y33 N48 Y52 Y64 | Q27-F31 WeakPolarHBondContact O-CD1 3.39Å; E28-F31 HydrophobicContact CB-CD2 4.1Å; E28-F31 HydrophobicContact CB-CE2 4.04Å; E28-F31 HydrophobicContact CB-CZ 4.43Å; E28-F31 HydrophobicContact CG-CD2 4.18Å; E28-F31 HydrophobicContact CG-CE2 3.61Å; E28-F31 HydrophobicContact CG-CZ 3.87Å; E28-F31 VanDerWaalsContact O-CB 3.32Å; E28-F31 WeakPolarHBondContact O-CB 3.47Å; E28-F31 PolarHBondContact O-N 3.46Å; F31-Y33 HydrophobicContact CB-CE2 4.05Å; F31-N48 HydrophobicContact CD1-CB 4.27Å; F31-N48 VanDerWaalsContact CD1-CG 3.49Å; F31-N48 VanDerWaalsContact CD1-ND2 3.28Å; F31-N48 WeakPolarHBondContact CD1-ND2 3.35Å; F31-N48 HydrophobicContact CE1-CB 3.77Å; F31-N48 VanDerWaalsContact CE1-CG 3.44Å; F31-Y52 HydrophobicContact CE1-CD2 4.4Å; F31-Y52 HydrophobicContact CE1-CE2 4.3Å; F31-Y52 HydrophobicContact CE2-CD1 4.28Å; F31-Y52 HydrophobicContact CE2-CE1 4.02Å; F31-Y52 AromaticContact CZ-CD1 3.71Å; F31-Y52 HydrophobicContact CZ-CD1 3.71Å; F31-Y52 AromaticContact CZ-CD2 3.96Å; F31-Y52 HydrophobicContact CZ-CD2 3.96Å; F31-Y52 AromaticContact CZ-CE1 3.55Å; F31-Y52 HydrophobicContact CZ-CE1 3.55Å; F31-Y52 AromaticContact CZ-CE2 3.83Å; F31-Y52 HydrophobicContact CZ-CE2 3.83Å; F31-Y52 AromaticContact CZ-CG 3.93Å; F31-Y52 HydrophobicContact CZ-CG 3.93Å; F31-Y52 AromaticContact CZ-CZ 3.63Å; F31-Y64 HydrophobicContact CE1-CE1 4.16Å; F31-Y64 AromaticContact CE2-CD1 3.71Å; F31-Y64 HydrophobicContact CE2-CD1 3.71Å; F31-Y64 AromaticContact CE2-CE1 3.84Å; F31-Y64 HydrophobicContact CE2-CE1 3.84Å; F31-Y64 AromaticContact CZ-CD1 3.85Å; F31-Y64 HydrophobicContact CZ-CD1 3.85Å; F31-Y64 AromaticContact CZ-CE1 3.54Å; F31-Y64 HydrophobicContact CZ-CE1 3.54Å | ||
| 32 | R | 75.8 | Confident | 79.4 | Confident | 83 Ų | 83 | 62.1 Ų | 62.1 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | trans | -108.1 | 130.3 | 174.5 | -73.6 | -165.6 | 176.7 | -160 | -3.5 | 109.6 | E36 S37 | R32-E36 PolarHBondContact NH1-O 3.47Å; R32-S37 PolarHBondContact NH1-O 3.39Å; R32-S37 VanDerWaalsContact NH1-O 3.16Å | ||
| 33 | Y | 69.8 | Low | 78.6 | Confident | 153 Ų | 153 | 67.1 Ų | 67.1 | 60% | 0.6 | 35% | 0.352 | S | S | * | . | trans | -113.2 | 110.9 | 175.8 | -59.7 | -80.3 | 0 | 0 | 0 | 109.4 | F31 | F31-Y33 HydrophobicContact CB-CE2 4.05Š| ||
| 34 | G | 65.2 | Low | 77.9 | Confident | 70 Ų | 70 | 70.2 Ų | 70.2 | 72% | 0.722 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 73.5 | -151.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | E36 | G34-E36 PolarHBondContact O-N 2.89Š|
| 35 | D | 57.3 | Low | 77.4 | Confident | 175 Ų | 175 | 70.7 Ų | 70.7 | 94% | 0.936 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -80.4 | 43.7 | -173.5 | -63.2 | -28.7 | 0 | 0 | 0 | 113 | S37 | D35-S37 PolarHBondContact O-N 2.69Š|
| 36 | E | 55.4 | Low | 77.1 | Confident | 91 Ų | 91 | 70.5 Ų | 70.5 | 43% | 0.425 | 37% | 0.369 | S | S | . | . | trans | -64.3 | 100.2 | 174.9 | -77.9 | -172.3 | 167.7 | 0 | 0 | 110.5 | R32 G34 | R32-E36 PolarHBondContact NH1-O 3.47Å; G34-E36 PolarHBondContact O-N 2.89Å | ||
| 37 | S | 51.7 | Low | 77 | Confident | 66 Ų | 66 | 72.1 Ų | 72.1 | 46% | 0.462 | 38% | 0.378 | S | S | . | . | trans | 30.1 | 112.8 | 168 | 62.8 | 0 | 0 | 0 | 0 | 117.1 | R32 D35 Q39 | R32-S37 PolarHBondContact NH1-O 3.39Å; R32-S37 VanDerWaalsContact NH1-O 3.16Å; D35-S37 PolarHBondContact O-N 2.69Å; S37-Q39 PolarHBondContact O-N 3.25Å | ||
| 38 | E | 51.8 | Low | 76.9 | Confident | 202 Ų | 202 | 73.1 Ų | 73.1 | 94% | 0.944 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 17.2 | 176.3 | -58.3 | 177.7 | 151 | 0 | 0 | 116.1 | ||
| 39 | Q | 65 | Low | 77 | Confident | 173 Ų | 173 | 75.4 Ų | 75.4 | 81% | 0.808 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -14.8 | -166.5 | -66.1 | -176.4 | 2.8 | 0 | 0 | 114.9 | S37 | S37-Q39 PolarHBondContact O-N 3.25Š|
| 40 | V | 74.4 | Confident | 77.3 | Confident | 27 Ų | 27 | 73.8 Ų | 73.8 | 16% | 0.164 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -120.4 | 129.8 | -178.5 | -176.6 | 0 | 0 | 0 | 0 | 109 | Q44 L45 P470 L471 | V40-Q44 HydrophobicContact CG1-CB 3.78Å; V40-L45 HydrophobicContact CB-CD2 4.15Å; V40-L45 HydrophobicContact CG1-CD2 3.86Å; V40-L45 HydrophobicContact CG1-CG 4.47Å; V40-P470 HydrophobicContact CG1-CG 4.06Å; V40-L471 HydrophobicContact CG1-CD2 4.14Å; V40-L471 HydrophobicContact CG1-CG 4.45Å; V40-L471 HydrophobicContact CG2-CD2 4.01Å |
| 41 | A | 81.2 | Confident | 77.8 | Confident | 43 Ų | 43 | 73.1 Ų | 73.1 | 36% | 0.355 | 38% | 0.378 | S | S | . | . | trans | -61.2 | 142.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E43 Q44 | A41-E43 VanDerWaalsContact C-N 3.26Å; A41-E43 HydrophobicContact CB-CG 4.02Å; A41-E43 PolarHBondContact O-N 3.29Å; A41-Q44 HydrophobicContact CB-CG 4.45Å; A41-Q44 WeakPolarHBondContact O-CB 3.43Å; A41-Q44 PolarHBondContact O-N 2.93Å | ||
| 42 | E | 80.9 | Confident | 78.2 | Confident | 102 Ų | 102 | 72.4 Ų | 72.4 | 48% | 0.477 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -53.5 | -41 | -177.9 | -78.1 | -64.7 | 150.5 | 0 | 0 | 112.9 | Q44 L45 R348 | E42-Q44 PolarHBondContact O-N 3.19Å; E42-L45 WeakPolarHBondContact O-CB 3.22Å; E42-L45 PolarHBondContact O-N 3Å; E42-L45 VanDerWaalsContact O-N 3.12Å; E42-R348 WeakPolarHBondContact O-CB 3.47Å; E42-R348 WeakPolarHBondContact O-CD 3.41Å; E42-R348 IonicContact OE2-CZ 3.28Å; E42-R348 IonicContact OE2-NH1 3.99Å; E42-R348 PolarHBondContact OE2-NH1 3.3Å |
| 43 | E | 80.7 | Confident | 79 | Confident | 111 Ų | 111 | 69.5 Ų | 69.5 | 52% | 0.519 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -61.6 | -18.6 | 176 | 63.9 | -140.3 | -133.9 | 0 | 0 | 114.9 | A41 R348 | A41-E43 VanDerWaalsContact C-N 3.26Å; A41-E43 HydrophobicContact CB-CG 4.02Å; A41-E43 PolarHBondContact O-N 3.29Å; E43-R348 VanDerWaalsContact O-O 3.06Å |
| 44 | Q | 84.2 | Confident | 80.1 | Confident | 66 Ų | 66 | 68.3 Ų | 68.3 | 31% | 0.308 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -96.2 | -3.1 | 179.1 | -63.6 | -175.1 | -36 | 0 | 0 | 113 | V40 A41 E42 L347 T469 P470 L471 | V40-Q44 HydrophobicContact CG1-CB 3.78Å; A41-Q44 HydrophobicContact CB-CG 4.45Å; A41-Q44 WeakPolarHBondContact O-CB 3.43Å; A41-Q44 PolarHBondContact O-N 2.93Å; E42-Q44 PolarHBondContact O-N 3.19Å; Q44-L347 WeakPolarHBondContact O-CD2 3.2Å; Q44-T469 PolarHBondContact O-OG1 3.39Å; Q44-P470 VanDerWaalsContact CD-CD 3.5Å; Q44-P470 VanDerWaalsContact OE1-CD 3.3Å; Q44-L471 VanDerWaalsContact O-CD1 3.28Å; Q44-L471 WeakPolarHBondContact O-CD1 3.39Å |
| 45 | L | 88 | Confident | 81.4 | Confident | 9 Ų | 9 | 65.5 Ų | 65.5 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -86.2 | 147 | 176.3 | -59.9 | 178.7 | 0 | 0 | 0 | 110.7 | V40 E42 L347 R348 L471 | V40-L45 HydrophobicContact CB-CD2 4.15Å; V40-L45 HydrophobicContact CG1-CD2 3.86Å; V40-L45 HydrophobicContact CG1-CG 4.47Å; E42-L45 WeakPolarHBondContact O-CB 3.22Å; E42-L45 PolarHBondContact O-N 3Å; E42-L45 VanDerWaalsContact O-N 3.12Å; L45-L347 CarbonylContact O-C 3.5Å; L45-R348 WeakPolarHBondContact O-CB 3.47Å; L45-R348 VanDerWaalsContact O-CG 3.31Å; L45-R348 WeakPolarHBondContact O-CG 3.3Å; L45-R348 PolarHBondContact O-N 2.83Å; L45-L471 HydrophobicContact CD2-CD1 4.18Å; L45-L471 HydrophobicContact CD2-CD2 4.34Å |
| 46 | P | 91.5 | Very high | 82.8 | Confident | 7 Ų | 7 | 65 Ų | 65 | 5% | 0.045 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -62.1 | 142.8 | 169.9 | -21.1 | 33 | 0 | 0 | 0 | 112 | N30 L343 R346 R348 L471 | N30-P46 HydrophobicContact CB-CG 4.46Å; P46-L343 HydrophobicContact CG-CD1 4.11Å; P46-R346 CarbonylContact C-O 3.47Å; P46-R346 WeakPolarHBondContact CA-O 2.93Å; P46-R348 PolarHBondContact O-NE 3.04Å; P46-R348 VanDerWaalsContact O-NE 3.14Å; P46-L471 HydrophobicContact CG-CD1 4.38Å |
| 47 | N | 92.3 | Very high | 84.1 | Confident | 41 Ų | 41 | 61.6 Ų | 61.6 | 22% | 0.219 | 31% | 0.305 | C | S | . | . | trans | -87.6 | 100.9 | 161.8 | -175.9 | -3.6 | 0 | 0 | 0 | 108.5 | D49 I50 R346 R348 | N47-D49 PolarHBondContact O-N 2.85Å; N47-D49 PolarHBondContact OD1-N 3.33Å; N47-I50 HydrophobicContact CB-CD1 3.88Å; N47-I50 HydrophobicContact CB-CG1 4.16Å; N47-I50 WeakPolarHBondContact O-CB 3.43Å; N47-I50 PolarHBondContact O-N 3.46Å; N47-R346 PolarHBondContact N-O 2.93Å; N47-R348 HydrophobicContact CB-CG 3.94Å | ||
| 48 | N | 92.9 | Very high | 85.2 | Confident | 24 Ų | 24 | 63.1 Ų | 63.1 | 13% | 0.128 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -64.5 | -30 | -175.7 | -59.3 | -31.4 | 0 | 0 | 0 | 112.2 | F31 I50 L51 Y52 Y64 | F31-N48 HydrophobicContact CD1-CB 4.27Å; F31-N48 VanDerWaalsContact CD1-CG 3.49Å; F31-N48 VanDerWaalsContact CD1-ND2 3.28Å; F31-N48 WeakPolarHBondContact CD1-ND2 3.35Å; F31-N48 HydrophobicContact CE1-CB 3.77Å; F31-N48 VanDerWaalsContact CE1-CG 3.44Å; N48-I50 PolarHBondContact O-N 2.88Å; N48-I50 VanDerWaalsContact O-N 3.1Å; N48-L51 PolarHBondContact O-N 3.39Å; N48-Y52 WeakPolarHBondContact O-CB 3.5Å; N48-Y52 PolarHBondContact O-N 2.91Å; N48-Y64 HydrophobicContact CB-CE1 4.14Å; N48-Y64 WeakPolarHBondContact CB-OH 3.44Å |
| 49 | D | 93.9 | Very high | 86.5 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -66.9 | -15.2 | -176.8 | -61.6 | -25.4 | 0 | 0 | 0 | 113 | T4 N47 L51 Y52 Y64 | T4-D49 HydrophobicContact CG2-CB 3.75Å; N47-D49 PolarHBondContact O-N 2.85Å; N47-D49 PolarHBondContact OD1-N 3.33Å; D49-L51 PolarHBondContact O-N 2.93Å; D49-Y52 CarbonylContact C-O 3.56Å; D49-Y64 PolarHBondContact N-OH 3.36Å; D49-Y64 WeakPolarHBondContact OD1-CE2 3.49Å; D49-Y64 PolarHBondContact OD1-OH 3.05Å |
| 50 | I | 95.8 | Very high | 87.3 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -61.4 | -38.1 | 172 | -69.3 | 173.3 | 0 | 0 | 0 | 110.6 | T4 R5 E6 I7 N47 N48 R346 | T4-I50 HydrophobicContact CG2-CG1 4.04Å; R5-I50 WeakPolarHBondContact O-CG2 3.46Å; E6-I50 CarbonylContact C-O 3.54Å; E6-I50 WeakPolarHBondContact CA-O 3.44Å; I7-I50 HydrophobicContact CB-CG2 4.4Å; I7-I50 HydrophobicContact CD1-CG2 3.91Å; I7-I50 HydrophobicContact CG1-CG2 4.05Å; I7-I50 PolarHBondContact N-O 2.94Å; N47-I50 HydrophobicContact CB-CD1 3.88Å; N47-I50 HydrophobicContact CB-CG1 4.16Å; N47-I50 WeakPolarHBondContact O-CB 3.43Å; N47-I50 PolarHBondContact O-N 3.46Å; N48-I50 PolarHBondContact O-N 2.88Å; N48-I50 VanDerWaalsContact O-N 3.1Å; I50-R346 HydrophobicContact CD1-CB 4.47Å; I50-R346 HydrophobicContact CG2-CG 4.26Å |
| 51 | L | 97.4 | Very high | 87.9 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -16.9 | -175.2 | -63.5 | 178.6 | 0 | 0 | 0 | 113.4 | I7 F23 W24 Q27 N48 D49 R67 | I7-L51 HydrophobicContact CB-CD2 3.98Å; I7-L51 HydrophobicContact CG2-CD2 4.26Å; F23-L51 HydrophobicContact CE1-CD1 3.96Å; F23-L51 HydrophobicContact CZ-CD1 3.53Å; W24-L51 HydrophobicContact CZ3-CB 4.05Å; W24-L51 HydrophobicContact CZ3-CD1 4.4Å; Q27-L51 HydrophobicContact CG-CD1 4.09Å; N48-L51 PolarHBondContact O-N 3.39Å; D49-L51 PolarHBondContact O-N 2.93Å; L51-R67 WeakPolarHBondContact O-CB 3.43Å; L51-R67 PolarHBondContact O-N 3.03Å |
| 52 | Y | 96.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 161.8 | -179.1 | -79.1 | -110.6 | 0 | 0 | 0 | 110.6 | W24 Q27 E28 F31 N48 D49 Y64 T65 P66 R67 | W24-Y52 AromaticContact CE3-CE2 3.85Å; W24-Y52 HydrophobicContact CE3-CE2 3.85Å; W24-Y52 HydrophobicContact CZ3-CE2 4Å; W24-Y52 PolarHBondContact O-OH 3.14Å; Q27-Y52 HydrophobicContact CB-CE2 3.67Å; Q27-Y52 HydrophobicContact CG-CE2 4.09Å; E28-Y52 HydrophobicContact CG-CE1 4.1Å; E28-Y52 WeakPolarHBondContact CG-OH 3.43Å; E28-Y52 WeakPolarHBondContact OE1-CE1 3.35Å; E28-Y52 PolarHBondContact OE1-OH 3.28Å; F31-Y52 HydrophobicContact CE1-CD2 4.4Å; F31-Y52 HydrophobicContact CE1-CE2 4.3Å; F31-Y52 HydrophobicContact CE2-CD1 4.28Å; F31-Y52 HydrophobicContact CE2-CE1 4.02Å; F31-Y52 AromaticContact CZ-CD1 3.71Å; F31-Y52 HydrophobicContact CZ-CD1 3.71Å; F31-Y52 AromaticContact CZ-CD2 3.96Å; F31-Y52 HydrophobicContact CZ-CD2 3.96Å; F31-Y52 AromaticContact CZ-CE1 3.55Å; F31-Y52 HydrophobicContact CZ-CE1 3.55Å; F31-Y52 AromaticContact CZ-CE2 3.83Å; F31-Y52 HydrophobicContact CZ-CE2 3.83Å; F31-Y52 AromaticContact CZ-CG 3.93Å; F31-Y52 HydrophobicContact CZ-CG 3.93Å; F31-Y52 AromaticContact CZ-CZ 3.63Å; N48-Y52 WeakPolarHBondContact O-CB 3.5Å; N48-Y52 PolarHBondContact O-N 2.91Å; D49-Y52 CarbonylContact C-O 3.56Å; Y52-Y64 WeakPolarHBondContact CB-OH 3.43Å; Y52-Y64 AromaticContact CD1-CD1 3.65Å; Y52-Y64 HydrophobicContact CD1-CD1 3.65Å; Y52-Y64 AromaticContact CD1-CE1 3.71Å; Y52-Y64 HydrophobicContact CD1-CE1 3.71Å; Y52-Y64 HydrophobicContact CD1-CG 4.37Å; Y52-Y64 HydrophobicContact CG-CD1 4.07Å; Y52-Y64 AromaticContact CG-CE1 3.64Å; Y52-Y64 HydrophobicContact CG-CE1 3.64Å; Y52-T65 CarbonylContact C-O 3.57Å; Y52-T65 VanDerWaalsContact CA-O 3.32Å; Y52-T65 WeakPolarHBondContact CA-O 3.38Å; Y52-P66 HydrophobicContact CD1-CG 4.33Å; Y52-P66 HydrophobicContact CE1-CB 4.43Å; Y52-P66 HydrophobicContact CE1-CG 3.66Å; Y52-R67 PolarHBondContact O-NE 3.39Å |
| 53 | R | 94.2 | Very high | 88.7 | Confident | 23 Ų | 23 | 58.2 Ų | 58.2 | 9% | 0.087 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 139.3 | 175.3 | 56.9 | 166.5 | -62 | -147.2 | 14.1 | 110.3 | Y64 T65 R67 H170 R172 E218 | R53-Y64 WeakPolarHBondContact O-CA 3.42Å; R53-Y64 WeakPolarHBondContact O-CD2 3.48Å; R53-T65 WeakPolarHBondContact CG-O 3.28Å; R53-T65 PolarHBondContact N-O 2.93Å; R53-T65 PolarHBondContact O-N 3.4Å; R53-R67 HydrophobicContact CB-CG 4.02Å; R53-R67 HydrophobicContact CG-CG 4.15Å; R53-H170 PolarHBondContact NH1-CD2 3.17Å; R53-H170 PolarHBondContact NH1-CE1 2.72Å; R53-H170 PolarHBondContact NH1-NE2 3.44Å; R53-R172 VanDerWaalsContact NH1-NH2 3.11Å; R53-E218 VanDerWaalsContact CZ-CD 3.47Å; R53-E218 IonicContact CZ-OE1 3.67Å; R53-E218 IonicContact CZ-OE2 2.9Å; R53-E218 IonicContact NE-OE2 3.54Å; R53-E218 PolarHBondContact NE-OE2 3.3Å; R53-E218 VanDerWaalsContact NE-OE2 3.09Å; R53-E218 IonicContact NH1-OE1 2.63Å; R53-E218 IonicContact NH1-OE2 3.75Å; R53-E218 PolarHBondContact NH1-OE2 3.09Å; R53-E218 IonicContact NH2-OE1 2.75Å; R53-E218 PolarHBondContact NH2-OE1 3.38Å; R53-E218 IonicContact NH2-OE2 3.8Å; R53-E218 PolarHBondContact NH2-OE2 3.4Å; R53-E218 VanDerWaalsContact NH2-OE2 3.09Å |
| 54 | E | 92.5 | Very high | 89.3 | Confident | 127 Ų | 127 | 56.2 Ų | 56.2 | 59% | 0.593 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 140.4 | 163.3 | -161.9 | -178.6 | 156.8 | 0 | 0 | 109.5 | T62 T63 Y64 | E54-T62 HydrophobicContact CG-CG2 3.51Å; E54-T62 WeakPolarHBondContact OE1-CG2 3.46Å; E54-T63 CarbonylContact C-O 3.57Å; E54-T63 WeakPolarHBondContact CA-O 3.47Å; E54-Y64 HydrophobicContact CB-CD2 4.27Å |
| 55 | G | 90.9 | Very high | 89.9 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | -178.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | T62 T63 | G55-T62 CarbonylContact O-C 3.54Å; G55-T62 WeakPolarHBondContact O-CA 3.5Å; G55-T63 PolarHBondContact N-O 3.44Å; G55-T63 PolarHBondContact O-N 3.01Å; G55-T63 PolarHBondContact O-OG1 3.23Å |
| 56 | R | 87.5 | Confident | 90.3 | Very high | 164 Ų | 164 | 52.7 Ų | 52.7 | 62% | 0.619 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 133.7 | 174.8 | -66.5 | -176.6 | 179 | -158.3 | -1.3 | 109.9 | R61 Y87 | R56-R61 WeakPolarHBondContact CA-O 3.32Å; R56-Y87 WeakPolarHBondContact O-CE1 3.48Å; R56-Y87 PolarHBondContact O-OH 3.17Å |
| 57 | N | 82.1 | Confident | 90.6 | Very high | 20 Ų | 20 | 53.2 Ų | 53.2 | 11% | 0.107 | 25% | 0.254 | C | S | . | . | trans | -82.5 | 177.7 | 172.2 | 71 | 5.1 | 0 | 0 | 0 | 112.3 | L59 N60 R61 T63 L86 Y87 | N57-L59 PolarHBondContact O-N 3.03Å; N57-L59 VanDerWaalsContact O-N 3.07Å; N57-L59 WeakPolarHBondContact OD1-CA 3.29Å; N57-L59 WeakPolarHBondContact OD1-CB 3.3Å; N57-L59 PolarHBondContact OD1-N 2.85Å; N57-L59 VanDerWaalsContact OD1-N 3.16Å; N57-N60 WeakPolarHBondContact O-CA 2.99Å; N57-N60 PolarHBondContact O-N 3.01Å; N57-N60 PolarHBondContact OD1-N 3.35Å; N57-R61 PolarHBondContact N-O 2.98Å; N57-R61 WeakPolarHBondContact OD1-CB 3.38Å; N57-R61 PolarHBondContact OD1-N 3.41Å; N57-R61 PolarHBondContact OD1-O 3.19Å; N57-T63 HydrophobicContact CB-CG2 4Å; N57-L86 VanDerWaalsContact CB-O 3.29Å; N57-L86 WeakPolarHBondContact CB-O 3.15Å; N57-L86 PolarHBondContact ND2-O 2.96Å; N57-Y87 HydrophobicContact CB-CD1 4.04Å; N57-Y87 HydrophobicContact CB-CD2 4.48Å; N57-Y87 HydrophobicContact CB-CE1 4.19Å; N57-Y87 HydrophobicContact CB-CG 4.19Å | ||
| 58 | D | 76.3 | Confident | 90.9 | Very high | 99 Ų | 99 | 51.3 Ų | 51.3 | 53% | 0.529 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -22 | -178.6 | -51.4 | -41.2 | 0 | 0 | 0 | 113.1 | N60 | D58-N60 VanDerWaalsContact C-N 3.25Å; D58-N60 PolarHBondContact O-N 2.51Å |
| 59 | L | 79.3 | Confident | 91.2 | Very high | 67 Ų | 67 | 50.1 Ų | 50.1 | 35% | 0.351 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 10.5 | 174.2 | -59.8 | 178.1 | 0 | 0 | 0 | 113.1 | N57 R61 S116 | N57-L59 PolarHBondContact O-N 3.03Å; N57-L59 VanDerWaalsContact O-N 3.07Å; N57-L59 WeakPolarHBondContact OD1-CA 3.29Å; N57-L59 WeakPolarHBondContact OD1-CB 3.3Å; N57-L59 PolarHBondContact OD1-N 2.85Å; N57-L59 VanDerWaalsContact OD1-N 3.16Å; L59-R61 HydrophobicContact CB-CG 4.01Å; L59-R61 PolarHBondContact O-N 3.28Å; L59-R61 VanDerWaalsContact O-N 3.14Å; L59-S116 WeakPolarHBondContact CD2-O 3.1Å |
| 60 | N | 80.9 | Confident | 91.4 | Very high | 120 Ų | 120 | 46.9 Ų | 46.9 | 64% | 0.642 | 22% | 0.22 | S | C | * | . | trans | 54.8 | 23.3 | -172.9 | -75.1 | -64.3 | 0 | 0 | 0 | 114.3 | N57 D58 | N57-N60 WeakPolarHBondContact O-CA 2.99Å; N57-N60 PolarHBondContact O-N 3.01Å; N57-N60 PolarHBondContact OD1-N 3.35Å; D58-N60 VanDerWaalsContact C-N 3.25Å; D58-N60 PolarHBondContact O-N 2.51Å | ||
| 61 | R | 86 | Confident | 91.5 | Very high | 161 Ų | 161 | 46.8 Ų | 46.8 | 61% | 0.608 | 22% | 0.22 | S | C | * | . | trans | -85.8 | 137.3 | 175.4 | -57.3 | 178.2 | -175.5 | 174.3 | 1.2 | 109.1 | R56 N57 L59 T63 | R56-R61 WeakPolarHBondContact CA-O 3.32Å; N57-R61 PolarHBondContact N-O 2.98Å; N57-R61 WeakPolarHBondContact OD1-CB 3.38Å; N57-R61 PolarHBondContact OD1-N 3.41Å; N57-R61 PolarHBondContact OD1-O 3.19Å; L59-R61 HydrophobicContact CB-CG 4.01Å; L59-R61 PolarHBondContact O-N 3.28Å; L59-R61 VanDerWaalsContact O-N 3.14Å; R61-T63 PolarHBondContact O-N 3.2Å | ||
| 62 | T | 89.6 | Confident | 91.5 | Very high | 87 Ų | 87 | 46.8 Ų | 46.8 | 53% | 0.534 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 131.3 | 172.9 | -65.2 | 0 | 0 | 0 | 0 | 109.7 | E54 G55 | E54-T62 HydrophobicContact CG-CG2 3.51Å; E54-T62 WeakPolarHBondContact OE1-CG2 3.46Å; G55-T62 CarbonylContact O-C 3.54Å; G55-T62 WeakPolarHBondContact O-CA 3.5Å |
| 63 | T | 90.9 | Very high | 91.4 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 6% | 0.055 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 147.1 | 172.3 | 55.1 | 0 | 0 | 0 | 0 | 108.2 | E54 G55 N57 R61 L86 Y87 | E54-T63 CarbonylContact C-O 3.57Å; E54-T63 WeakPolarHBondContact CA-O 3.47Å; G55-T63 PolarHBondContact N-O 3.44Å; G55-T63 PolarHBondContact O-N 3.01Å; G55-T63 PolarHBondContact O-OG1 3.23Å; N57-T63 HydrophobicContact CB-CG2 4Å; R61-T63 PolarHBondContact O-N 3.2Å; T63-L86 HydrophobicContact CG2-CB 4.35Å; T63-L86 HydrophobicContact CG2-CD1 4.33Å; T63-Y87 HydrophobicContact CG2-CE2 4.49Å; T63-Y87 PolarHBondContact OG1-OH 3.08Å |
| 64 | Y | 93.2 | Very high | 91.2 | Very high | 69 Ų | 69 | 47.6 Ų | 47.6 | 27% | 0.271 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 112.1 | 174.8 | -164.9 | -116.3 | 0 | 0 | 0 | 107.8 | F31 N48 D49 Y52 R53 E54 | F31-Y64 HydrophobicContact CE1-CE1 4.16Å; F31-Y64 AromaticContact CE2-CD1 3.71Å; F31-Y64 HydrophobicContact CE2-CD1 3.71Å; F31-Y64 AromaticContact CE2-CE1 3.84Å; F31-Y64 HydrophobicContact CE2-CE1 3.84Å; F31-Y64 AromaticContact CZ-CD1 3.85Å; F31-Y64 HydrophobicContact CZ-CD1 3.85Å; F31-Y64 AromaticContact CZ-CE1 3.54Å; F31-Y64 HydrophobicContact CZ-CE1 3.54Å; N48-Y64 HydrophobicContact CB-CE1 4.14Å; N48-Y64 WeakPolarHBondContact CB-OH 3.44Å; D49-Y64 PolarHBondContact N-OH 3.36Å; D49-Y64 WeakPolarHBondContact OD1-CE2 3.49Å; D49-Y64 PolarHBondContact OD1-OH 3.05Å; Y52-Y64 WeakPolarHBondContact CB-OH 3.43Å; Y52-Y64 AromaticContact CD1-CD1 3.65Å; Y52-Y64 HydrophobicContact CD1-CD1 3.65Å; Y52-Y64 AromaticContact CD1-CE1 3.71Å; Y52-Y64 HydrophobicContact CD1-CE1 3.71Å; Y52-Y64 HydrophobicContact CD1-CG 4.37Å; Y52-Y64 HydrophobicContact CG-CD1 4.07Å; Y52-Y64 AromaticContact CG-CE1 3.64Å; Y52-Y64 HydrophobicContact CG-CE1 3.64Å; R53-Y64 WeakPolarHBondContact O-CA 3.42Å; R53-Y64 WeakPolarHBondContact O-CD2 3.48Å; E54-Y64 HydrophobicContact CB-CD2 4.27Å |
| 65 | T | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 151.3 | -166.9 | 56.5 | 0 | 0 | 0 | 0 | 111.2 | Y52 R53 L86 R168 H170 | Y52-T65 CarbonylContact C-O 3.57Å; Y52-T65 VanDerWaalsContact CA-O 3.32Å; Y52-T65 WeakPolarHBondContact CA-O 3.38Å; R53-T65 WeakPolarHBondContact CG-O 3.28Å; R53-T65 PolarHBondContact N-O 2.93Å; R53-T65 PolarHBondContact O-N 3.4Å; T65-L86 HydrophobicContact CG2-CD1 3.29Å; T65-R168 WeakPolarHBondContact CG2-O 3.43Å; T65-H170 HydrophobicContact CG2-CB 4.35Å |
| 66 | P | 97.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 140.7 | 174.3 | -24.4 | 33.9 | 0 | 0 | 0 | 112.5 | W24 Y52 L68 A167 R168 Y169 | W24-P66 HydrophobicContact CD2-CB 3.93Å; W24-P66 HydrophobicContact CD2-CG 4.02Å; W24-P66 HydrophobicContact CE3-CB 3.79Å; W24-P66 HydrophobicContact CE3-CG 3.99Å; W24-P66 HydrophobicContact CG-CG 4.31Å; W24-P66 HydrophobicContact CH2-CB 3.99Å; W24-P66 HydrophobicContact CZ2-CB 4.11Å; W24-P66 HydrophobicContact CZ3-CB 3.82Å; W24-P66 HydrophobicContact CZ3-CG 4.49Å; Y52-P66 HydrophobicContact CD1-CG 4.33Å; Y52-P66 HydrophobicContact CE1-CB 4.43Å; Y52-P66 HydrophobicContact CE1-CG 3.66Å; P66-L68 HydrophobicContact CB-CB 3.88Å; P66-L68 PolarHBondContact O-N 3.26Å; P66-A167 HydrophobicContact CG-CB 4.42Å; P66-R168 WeakPolarHBondContact CD-O 3.42Å; P66-Y169 HydrophobicContact CG-CD1 4.04Å; P66-Y169 HydrophobicContact CG-CE1 4.02Å |
| 67 | R | 97.5 | Very high | 90.6 | Very high | 19 Ų | 19 | 37 Ų | 37 | 7% | 0.072 | 20% | 0.201 | C | C | . | . | trans | -75.5 | 76.7 | 163 | -64.3 | -177.8 | -174.2 | -96.7 | 5.2 | 107.9 | E6 L8 T9 L51 Y52 R53 E218 C219 | E6-R67 IonicContact OE1-NH2 3.81Å; L8-R67 HydrophobicContact CD1-CB 4.25Å; L8-R67 WeakPolarHBondContact CD1-O 3.21Å; T9-R67 PolarHBondContact N-O 3.44Å; L51-R67 WeakPolarHBondContact O-CB 3.43Å; L51-R67 PolarHBondContact O-N 3.03Å; Y52-R67 PolarHBondContact O-NE 3.39Å; R53-R67 HydrophobicContact CB-CG 4.02Å; R53-R67 HydrophobicContact CG-CG 4.15Å; R67-E218 PolarHBondContact NH1-O 3.12Å; R67-E218 VanDerWaalsContact NH1-O 3.11Å; R67-C219 PolarHBondContact NH1-SG 3.04Å; R67-C219 VanDerWaalsContact NH1-SG 3.37Å | ||
| 68 | L | 98.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 134.2 | -172.3 | 174.3 | 64.2 | 0 | 0 | 0 | 111.2 | T9 Q11 W24 P66 Y169 T173 | T9-L68 HydrophobicContact CG2-CD1 4.16Å; T9-L68 WeakPolarHBondContact O-CA 3.32Å; Q11-L68 HydrophobicContact CB-CD1 4.22Å; Q11-L68 HydrophobicContact CG-CD1 3.63Å; W24-L68 HydrophobicContact CZ2-CB 3.91Å; W24-L68 HydrophobicContact CZ2-CD1 3.93Å; W24-L68 HydrophobicContact CZ2-CD2 4.26Å; W24-L68 HydrophobicContact CZ2-CG 4.22Å; P66-L68 HydrophobicContact CB-CB 3.88Å; P66-L68 PolarHBondContact O-N 3.26Å; L68-Y169 HydrophobicContact CD2-CE1 4Å; L68-Y169 HydrophobicContact CD2-CE2 4.03Å; L68-T173 HydrophobicContact CB-CG2 3.95Å; L68-T173 HydrophobicContact CD2-CG2 3.62Å; L68-T173 HydrophobicContact CG-CG2 3.68Å; L68-T173 VanDerWaalsContact O-CA 3.28Å; L68-T173 WeakPolarHBondContact O-CA 3.27Å; L68-T173 WeakPolarHBondContact O-CB 3.28Å; L68-T173 WeakPolarHBondContact O-CG2 3.42Å; L68-T173 PolarHBondContact O-OG1 3.02Å |
| 69 | L | 98.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 114.8 | 157.3 | -70.6 | 171 | 0 | 0 | 0 | 109.1 | L8 T9 F10 Q11 R172 F208 R211 I212 Y215 | L8-L69 HydrophobicContact CD2-CD1 4.46Å; T9-L69 PolarHBondContact O-N 3.41Å; F10-L69 CarbonylContact C-O 3.46Å; F10-L69 VanDerWaalsContact CA-O 3.29Å; F10-L69 WeakPolarHBondContact CA-O 3.39Å; F10-L69 HydrophobicContact CD1-CB 3.97Å; F10-L69 HydrophobicContact CD1-CD1 4.34Å; F10-L69 HydrophobicContact CE1-CB 4.14Å; F10-L69 HydrophobicContact CE1-CD1 3.67Å; F10-L69 HydrophobicContact CE1-CG 4.48Å; F10-L69 HydrophobicContact CZ-CD1 4.31Å; Q11-L69 PolarHBondContact N-O 3.32Å; L69-R172 WeakPolarHBondContact CD2-O 3.47Å; L69-F208 HydrophobicContact CB-CE2 4.14Å; L69-F208 HydrophobicContact CB-CZ 4.07Å; L69-F208 HydrophobicContact CD1-CZ 4.35Å; L69-R211 HydrophobicContact CD1-CB 4.48Å; L69-R211 HydrophobicContact CD2-CB 3.89Å; L69-I212 HydrophobicContact CD1-CB 4.26Å; L69-I212 HydrophobicContact CD1-CG1 3.49Å; L69-I212 VanDerWaalsContact CD1-CG1 3.49Å; L69-Y215 HydrophobicContact CD1-CD2 4.11Å; L69-Y215 HydrophobicContact CD2-CD2 3.91Å; L69-Y215 HydrophobicContact CD2-CE2 3.58Å; L69-Y215 HydrophobicContact CG-CD2 3.81Å; L69-Y215 HydrophobicContact CG-CE2 3.83Å |
| 70 | S | 98.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 135 | 177.8 | 167.7 | 0 | 0 | 0 | 0 | 109.2 | Q11 N17 T173 N175 | Q11-S70 CarbonylContact O-C 3.57Å; Q11-S70 WeakPolarHBondContact O-CA 3.37Å; N17-S70 PolarHBondContact ND2-OG 2.9Å; N17-S70 PolarHBondContact OD1-OG 3.29Å; S70-T173 PolarHBondContact N-O 3.19Å; S70-N175 WeakPolarHBondContact O-CB 3.47Å; S70-N175 PolarHBondContact O-N 2.88Å; S70-N175 PolarHBondContact O-ND2 3.38Å |
| 71 | V | 98.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 130.6 | 174.5 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | Q11 F12 G13 N17 N175 L177 F204 F208 F235 L238 | Q11-V71 PolarHBondContact O-N 3.22Å; F12-V71 HydrophobicContact CD1-CB 3.8Å; F12-V71 HydrophobicContact CD1-CG2 3.56Å; F12-V71 HydrophobicContact CE1-CB 4.29Å; F12-V71 HydrophobicContact CE1-CG2 3.53Å; G13-V71 PolarHBondContact N-O 3.15Å; N17-V71 PolarHBondContact ND2-O 3.12Å; V71-N175 VanDerWaalsContact CA-O 3.26Å; V71-N175 WeakPolarHBondContact CA-O 3.35Å; V71-N175 HydrophobicContact CG2-CB 4.09Å; V71-L177 HydrophobicContact CG1-CD1 4.28Å; V71-L177 HydrophobicContact CG1-CD2 3.61Å; V71-L177 HydrophobicContact CG1-CG 3.74Å; V71-F204 HydrophobicContact CG1-CE2 4.42Å; V71-F204 HydrophobicContact CG1-CZ 4.39Å; V71-F204 HydrophobicContact CG2-CZ 4.46Å; V71-F208 HydrophobicContact CG2-CD2 4.26Å; V71-F208 HydrophobicContact CG2-CE2 3.42Å; V71-F208 VanDerWaalsContact CG2-CE2 3.42Å; V71-F208 HydrophobicContact CG2-CZ 3.75Å; V71-F235 HydrophobicContact CG1-CE1 4.26Å; V71-L238 HydrophobicContact CG1-CD2 3.83Å |
| 72 | D | 96.7 | Very high | 90.7 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 176.4 | 177.4 | -144 | -22.7 | 0 | 0 | 0 | 112.4 | T14 N17 T76 W161 N175 V176 L177 | T14-D72 PolarHBondContact N-OD1 2.95Å; T14-D72 PolarHBondContact OG1-OD1 2.83Å; N17-D72 VanDerWaalsContact ND2-CB 3.33Å; N17-D72 WeakPolarHBondContact ND2-CB 3.4Å; N17-D72 PolarHBondContact ND2-OD2 2.96Å; D72-T76 HydrophobicContact CB-CG2 4.28Å; D72-T76 WeakPolarHBondContact OD1-CG2 3.4Å; D72-T76 WeakPolarHBondContact OD2-CB 3.35Å; D72-T76 WeakPolarHBondContact OD2-CG2 3.48Å; D72-T76 PolarHBondContact OD2-OG1 3.48Å; D72-W161 PolarHBondContact OD2-NE1 3.35Å; D72-N175 PolarHBondContact N-O 2.76Å; D72-V176 WeakPolarHBondContact O-CA 3.42Å; D72-L177 PolarHBondContact O-N 3.06Å |
| 73 | L | 94.7 | Very high | 90.2 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 157.8 | 176.1 | -53.5 | 177.9 | 0 | 0 | 0 | 112.2 | T76 L177 L180 R182 A188 L189 F235 | L73-T76 HydrophobicContact CB-CG2 4.45Å; L73-T76 VanDerWaalsContact O-CG2 3.31Å; L73-T76 WeakPolarHBondContact O-CG2 3.5Å; L73-T76 PolarHBondContact O-N 3.1Å; L73-T76 PolarHBondContact O-OG1 3.38Å; L73-L177 HydrophobicContact CD2-CD1 4.27Å; L73-L180 HydrophobicContact CD2-CB 3.86Å; L73-L180 HydrophobicContact CD2-CD1 4.39Å; L73-R182 HydrophobicContact CB-CB 4.06Å; L73-R182 HydrophobicContact CD1-CB 4.33Å; L73-A188 HydrophobicContact CD1-CB 3.85Å; L73-L189 HydrophobicContact CD2-CB 4.37Å; L73-F235 HydrophobicContact CD1-CE2 4.47Å; L73-F235 HydrophobicContact CD2-CE2 4.15Å; L73-F235 HydrophobicContact CD2-CZ 3.67Å; L73-F235 HydrophobicContact CG-CE2 4.08Å; L73-F235 HydrophobicContact CG-CZ 3.79Å |
| 74 | S | 90.1 | Very high | 89.4 | Confident | 38 Ų | 38 | 22.2 Ų | 22.2 | 27% | 0.266 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 139.3 | 172.6 | -63.8 | 0 | 0 | 0 | 0 | 111 | V176 L180 I181 R182 | S74-V176 VanDerWaalsContact OG-CG1 3.23Å; S74-V176 WeakPolarHBondContact OG-CG1 3.46Å; S74-L180 VanDerWaalsContact CB-O 3.28Å; S74-L180 WeakPolarHBondContact CB-O 3.18Å; S74-L180 PolarHBondContact N-O 3.48Å; S74-L180 PolarHBondContact OG-O 2.88Å; S74-I181 WeakPolarHBondContact O-CA 3.35Å; S74-R182 PolarHBondContact O-N 3.46Å |
| 75 | G | 85.7 | Confident | 88.6 | Confident | 62 Ų | 62 | 20.1 Ų | 20.1 | 64% | 0.639 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.1 | -0.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 76 | T | 87.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -82.4 | -27.7 | 173.8 | 61 | 0 | 0 | 0 | 0 | 112.5 | T14 D72 L73 G78 S160 R182 | T14-T76 HydrophobicContact CG2-CG2 4.49Å; D72-T76 HydrophobicContact CB-CG2 4.28Å; D72-T76 WeakPolarHBondContact OD1-CG2 3.4Å; D72-T76 WeakPolarHBondContact OD2-CB 3.35Å; D72-T76 WeakPolarHBondContact OD2-CG2 3.48Å; D72-T76 PolarHBondContact OD2-OG1 3.48Å; L73-T76 HydrophobicContact CB-CG2 4.45Å; L73-T76 VanDerWaalsContact O-CG2 3.31Å; L73-T76 WeakPolarHBondContact O-CG2 3.5Å; L73-T76 PolarHBondContact O-N 3.1Å; L73-T76 PolarHBondContact O-OG1 3.38Å; T76-G78 VanDerWaalsContact C-N 3.29Å; T76-G78 PolarHBondContact O-N 3.18Å; T76-S160 WeakPolarHBondContact O-CB 3.49Å; T76-S160 PolarHBondContact O-OG 2.89Å; T76-R182 HydrophobicContact CG2-CB 4.07Å; T76-R182 HydrophobicContact CG2-CG 4.26Å |
| 77 | L | 86.5 | Confident | 86.1 | Confident | 18 Ų | 18 | 23.2 Ų | 23.2 | 9% | 0.094 | 15% | 0.153 | C | C | . | . | trans | -73.3 | -14.9 | -171.9 | -63 | -176.2 | 0 | 0 | 0 | 115 | H79 L80 V82 W161 V162 L174 V176 | L77-H79 PolarHBondContact O-N 3.19Å; L77-L80 HydrophobicContact CB-CB 4.45Å; L77-L80 WeakPolarHBondContact CB-O 3.16Å; L77-L80 VanDerWaalsContact O-CB 3.27Å; L77-L80 WeakPolarHBondContact O-CB 3.26Å; L77-L80 PolarHBondContact O-N 3.38Å; L77-V82 HydrophobicContact CD1-CB 4.27Å; L77-V82 HydrophobicContact CD1-CG2 3.58Å; L77-W161 HydrophobicContact CD2-CH2 3.53Å; L77-W161 HydrophobicContact CD2-CZ2 3.58Å; L77-V162 WeakPolarHBondContact O-CG2 3.23Å; L77-L174 HydrophobicContact CD1-CD1 4.45Å; L77-L174 HydrophobicContact CD2-CD1 3.94Å; L77-L174 HydrophobicContact CD2-CD2 4.15Å; L77-V176 HydrophobicContact CD1-CG2 3.73Å; L77-V176 HydrophobicContact CG-CG2 4.3Å | ||
| 78 | G | 82.9 | Confident | 84.1 | Confident | 43 Ų | 43 | 23.3 Ų | 23.3 | 44% | 0.443 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | -113.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T76 A132 | T76-G78 VanDerWaalsContact C-N 3.29Å; T76-G78 PolarHBondContact O-N 3.18Å; G78-A132 VanDerWaalsContact O-CB 3.25Å; G78-A132 WeakPolarHBondContact O-CB 3.34Å |
| 79 | H | 80.5 | Confident | 82 | Confident | 33 Ų | 33 | 27.1 Ų | 27.1 | 15% | 0.153 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -15.1 | 176.9 | 64.4 | -71.5 | 0 | 0 | 0 | 114.6 | L77 P81 A132 I134 Q138 | L77-H79 PolarHBondContact O-N 3.19Å; H79-P81 WeakPolarHBondContact O-CD 3.45Å; H79-A132 HydrophobicContact CB-CB 4.21Å; H79-I134 HydrophobicContact CB-CB 4.12Å; H79-I134 HydrophobicContact CB-CD1 4.47Å; H79-I134 HydrophobicContact CB-CG1 4.29Å; H79-Q138 PolarHBondContact NE2-OE1 2.91Å |
| 80 | L | 84.1 | Confident | 80 | Confident | 12 Ų | 12 | 30.5 Ų | 30.5 | 6% | 0.063 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -77.3 | 120.7 | -174 | -170 | 67.9 | 0 | 0 | 0 | 110.4 | L77 E85 W161 V162 L165 L174 | L77-L80 HydrophobicContact CB-CB 4.45Å; L77-L80 WeakPolarHBondContact CB-O 3.16Å; L77-L80 VanDerWaalsContact O-CB 3.27Å; L77-L80 WeakPolarHBondContact O-CB 3.26Å; L77-L80 PolarHBondContact O-N 3.38Å; L80-E85 HydrophobicContact CD1-CG 3.88Å; L80-W161 HydrophobicContact CD2-CH2 4.35Å; L80-W161 HydrophobicContact CD2-CZ3 4.31Å; L80-V162 HydrophobicContact CB-CG1 4.08Å; L80-V162 HydrophobicContact CD2-CG1 3.94Å; L80-L165 HydrophobicContact CD2-CD2 4.01Å; L80-L174 HydrophobicContact CD2-CD1 3.62Å; L80-L174 HydrophobicContact CG-CD1 4.13Å |
| 81 | P | 81.5 | Confident | 77.9 | Confident | 29 Ų | 29 | 33 Ų | 33 | 19% | 0.188 | 21% | 0.21 | C | C | . | . | trans | -65.3 | 147.5 | 173.1 | 26.9 | -34.9 | 0 | 0 | 0 | 111.1 | H79 T83 G84 E85 | H79-P81 WeakPolarHBondContact O-CD 3.45Å; P81-T83 PolarHBondContact O-N 3.46Å; P81-G84 VanDerWaalsContact CG-O 3.32Å; P81-G84 WeakPolarHBondContact CG-O 3.27Å; P81-G84 PolarHBondContact O-N 3.05Å; P81-E85 HydrophobicContact CG-CG 3.97Å | ||
| 82 | V | 77.7 | Confident | 75.8 | Confident | 74 Ų | 74 | 37.3 Ų | 37.3 | 45% | 0.448 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -34.8 | 178.1 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | L77 G84 V176 | L77-V82 HydrophobicContact CD1-CB 4.27Å; L77-V82 HydrophobicContact CD1-CG2 3.58Å; V82-G84 VanDerWaalsContact C-N 3.26Å; V82-G84 PolarHBondContact O-N 3.01Å; V82-V176 HydrophobicContact CG2-CG2 4.24Å |
| 83 | T | 77.8 | Confident | 73.8 | Confident | 59 Ų | 59 | 41.2 Ų | 41.2 | 36% | 0.362 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 3.2 | 178.1 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | P81 N89 P171 | P81-T83 PolarHBondContact O-N 3.46Å; T83-N89 WeakPolarHBondContact CB-ND2 3.37Å; T83-N89 PolarHBondContact OG1-ND2 2.81Å; T83-N89 VanDerWaalsContact OG1-ND2 3.11Å; T83-P171 VanDerWaalsContact O-CA 3.24Å; T83-P171 WeakPolarHBondContact O-CA 3.2Å; T83-P171 VanDerWaalsContact O-CB 3.26Å; T83-P171 WeakPolarHBondContact O-CB 3.44Å; T83-P171 VanDerWaalsContact O-CG 3.31Å; T83-P171 WeakPolarHBondContact O-CG 3.18Å |
| 84 | G | 75.5 | Confident | 71.7 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | trans | 69.8 | 179.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P81 V82 | P81-G84 VanDerWaalsContact CG-O 3.32Å; P81-G84 WeakPolarHBondContact CG-O 3.27Å; P81-G84 PolarHBondContact O-N 3.05Å; V82-G84 VanDerWaalsContact C-N 3.26Å; V82-G84 PolarHBondContact O-N 3.01Å | ||
| 85 | E | 74.7 | Confident | 69.9 | Low | 25 Ų | 25 | 49.7 Ų | 49.7 | 12% | 0.117 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -109.8 | 19.6 | -170.4 | -61.2 | 175.6 | 160.6 | 0 | 0 | 112.9 | L80 P81 F90 R168 | L80-E85 HydrophobicContact CD1-CG 3.88Å; P81-E85 HydrophobicContact CG-CG 3.97Å; E85-F90 VanDerWaalsContact C-CZ 3.46Å; E85-F90 HydrophobicContact CB-CE1 4.04Å; E85-F90 HydrophobicContact CB-CE2 4.08Å; E85-F90 HydrophobicContact CB-CZ 3.8Å; E85-F90 HydrophobicContact CG-CE2 4.47Å; E85-F90 WeakPolarHBondContact O-CE1 3.5Å; E85-F90 WeakPolarHBondContact O-CZ 3.38Å; E85-R168 IonicContact OE2-CZ 2.67Å; E85-R168 VanDerWaalsContact OE2-CZ 3.28Å; E85-R168 IonicContact OE2-NE 2.97Å; E85-R168 IonicContact OE2-NH1 3.09Å; E85-R168 PolarHBondContact OE2-NH1 3.28Å; E85-R168 IonicContact OE2-NH2 3.99Å |
| 86 | L | 71.8 | Confident | 68.1 | Low | 39 Ų | 39 | 55.3 Ų | 55.3 | 20% | 0.204 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -108.5 | -27.6 | -173.6 | -69.5 | 178 | 0 | 0 | 0 | 114.4 | N57 T63 T65 R168 | N57-L86 VanDerWaalsContact CB-O 3.29Å; N57-L86 WeakPolarHBondContact CB-O 3.15Å; N57-L86 PolarHBondContact ND2-O 2.96Å; T63-L86 HydrophobicContact CG2-CB 4.35Å; T63-L86 HydrophobicContact CG2-CD1 4.33Å; T65-L86 HydrophobicContact CG2-CD1 3.29Å; L86-R168 HydrophobicContact CD1-CB 3.76Å; L86-R168 HydrophobicContact CD2-CB 3.87Å; L86-R168 HydrophobicContact CD2-CG 4.28Å; L86-R168 HydrophobicContact CG-CB 3.91Å |
| 87 | Y | 68.8 | Low | 66 | Low | 27 Ų | 27 | 58.4 Ų | 58.4 | 11% | 0.106 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -114.1 | 67.7 | -168 | -70.6 | -108.8 | 0 | 0 | 0 | 111 | R56 N57 T63 N89 H170 P171 | R56-Y87 WeakPolarHBondContact O-CE1 3.48Å; R56-Y87 PolarHBondContact O-OH 3.17Å; N57-Y87 HydrophobicContact CB-CD1 4.04Å; N57-Y87 HydrophobicContact CB-CD2 4.48Å; N57-Y87 HydrophobicContact CB-CE1 4.19Å; N57-Y87 HydrophobicContact CB-CG 4.19Å; T63-Y87 HydrophobicContact CG2-CE2 4.49Å; T63-Y87 PolarHBondContact OG1-OH 3.08Å; Y87-N89 WeakPolarHBondContact O-CB 3.5Å; Y87-N89 PolarHBondContact O-N 3.36Å; Y87-N89 PolarHBondContact O-ND2 3.19Å; Y87-N89 PolarHBondContact O-OD1 3.45Å; Y87-H170 AromaticContact CE2-CD2 3.74Å; Y87-H170 AromaticContact CZ-CD2 3.7Å; Y87-H170 AromaticContact CZ-NE2 3.8Å; Y87-H170 PolarHBondContact OH-CD2 3.08Å; Y87-P171 HydrophobicContact CD1-CG 4.37Å; Y87-P171 HydrophobicContact CD2-CG 3.33Å; Y87-P171 VanDerWaalsContact CE2-CD 3.42Å; Y87-P171 HydrophobicContact CE2-CG 3.96Å; Y87-P171 HydrophobicContact CG-CG 3.61Å |
| 88 | G | 56 | Low | 63.8 | Low | 20 Ų | 20 | 63.7 Ų | 63.7 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | S | Bend | trans | 57 | -13.3 | 158 | 0 | 0 | 0 | 0 | 0 | 120.3 | F90 V118 | G88-F90 VanDerWaalsContact C-N 3.27Å; G88-F90 PolarHBondContact O-N 3.07Å; G88-V118 VanDerWaalsContact O-CG2 3.23Å; G88-V118 WeakPolarHBondContact O-CG2 3.47Å |
| 89 | N | 55.3 | Low | 62.2 | Low | 80 Ų | 80 | 64.4 Ų | 64.4 | 43% | 0.428 | 33% | 0.333 | S | S | . | . | trans | -89.1 | 9.6 | -168.8 | 52.1 | 8.5 | 0 | 0 | 0 | 113.4 | T83 Y87 | T83-N89 WeakPolarHBondContact CB-ND2 3.37Å; T83-N89 PolarHBondContact OG1-ND2 2.81Å; T83-N89 VanDerWaalsContact OG1-ND2 3.11Å; Y87-N89 WeakPolarHBondContact O-CB 3.5Å; Y87-N89 PolarHBondContact O-N 3.36Å; Y87-N89 PolarHBondContact O-ND2 3.19Å; Y87-N89 PolarHBondContact O-OD1 3.45Å | ||
| 90 | F | 55.7 | Low | 60.7 | Low | 71 Ų | 71 | 64.3 Ų | 64.3 | 31% | 0.311 | 33% | 0.333 | S | S | . | . | trans | -133.9 | 139.7 | 176.2 | 75.2 | -72 | 0 | 0 | 0 | 109.5 | E85 G88 Q92 | E85-F90 VanDerWaalsContact C-CZ 3.46Å; E85-F90 HydrophobicContact CB-CE1 4.04Å; E85-F90 HydrophobicContact CB-CE2 4.08Å; E85-F90 HydrophobicContact CB-CZ 3.8Å; E85-F90 HydrophobicContact CG-CE2 4.47Å; E85-F90 WeakPolarHBondContact O-CE1 3.5Å; E85-F90 WeakPolarHBondContact O-CZ 3.38Å; G88-F90 VanDerWaalsContact C-N 3.27Å; G88-F90 PolarHBondContact O-N 3.07Å; F90-Q92 HydrophobicContact CE2-CB 4.37Å | ||
| 91 | V | 54.8 | Low | 59.1 | Low | 56 Ų | 56 | 68.4 Ų | 68.4 | 34% | 0.339 | 36% | 0.363 | S | S | . | . | trans | -110.6 | 110.4 | 168.4 | 179.4 | 0 | 0 | 0 | 0 | 107 | R93 V109 A113 | V91-R93 PolarHBondContact O-N 3.38Å; V91-V109 HydrophobicContact CB-CG1 4.25Å; V91-V109 HydrophobicContact CG1-CG1 4.27Å; V91-V109 HydrophobicContact CG2-CG1 4.26Å; V91-A113 HydrophobicContact CG2-CB 4.38Å | ||
| 92 | Q | 54.6 | Low | 57.7 | Low | 89 Ų | 89 | 70.1 Ų | 70.1 | 42% | 0.416 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 124.7 | 176.7 | -167.7 | 180 | -14.4 | 0 | 0 | 109.8 | F90 | F90-Q92 HydrophobicContact CE2-CB 4.37Š|
| 93 | R | 53.5 | Low | 56.7 | Low | 87 Ų | 87 | 69 Ų | 69 | 33% | 0.328 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 131 | 172.8 | -71.1 | -170.4 | -90 | -171.6 | -4.8 | 109 | V91 E128 | V91-R93 PolarHBondContact O-N 3.38Å; R93-E128 IonicContact CZ-OE1 2.62Å; R93-E128 IonicContact NH1-OE1 3.7Å; R93-E128 PolarHBondContact NH1-OE1 3.08Å; R93-E128 IonicContact NH2-OE1 2.72Å |
| 94 | D | 52.2 | Low | 55.7 | Low | 80 Ų | 80 | 73.1 Ų | 73.1 | 43% | 0.428 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 128.7 | 158.3 | -86.6 | -48 | 0 | 0 | 0 | 107.7 | E96 L97 | D94-E96 PolarHBondContact O-N 3.36Å; D94-L97 HydrophobicContact CB-CD1 4.42Å; D94-L97 HydrophobicContact CB-CG 4.36Å; D94-L97 VanDerWaalsContact O-CB 3.25Å; D94-L97 WeakPolarHBondContact O-CB 3.22Å; D94-L97 PolarHBondContact O-N 3.35Å |
| 95 | E | 51.4 | Low | 54.8 | Low | 138 Ų | 138 | 75 Ų | 75 | 65% | 0.645 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -16.1 | 177.1 | -76.4 | -171.6 | 150.5 | 0 | 0 | 113.2 | L97 | E95-L97 PolarHBondContact O-N 2.85Š|
| 96 | E | 47.9 | Very low | 54.2 | Low | 181 Ų | 181 | 76.7 Ų | 76.7 | 85% | 0.846 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -16.9 | 169.8 | -70.1 | -176.5 | 176.6 | 0 | 0 | 112.8 | D94 L98 | D94-E96 PolarHBondContact O-N 3.36Å; E96-L98 PolarHBondContact O-N 3.18Å |
| 97 | L | 42.5 | Very low | 53.8 | Low | 64 Ų | 64 | 80 Ų | 80 | 34% | 0.335 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -78.7 | 109.9 | 168.4 | -58.5 | 170.9 | 0 | 0 | 0 | 108 | D94 E95 | D94-L97 HydrophobicContact CB-CD1 4.42Å; D94-L97 HydrophobicContact CB-CG 4.36Å; D94-L97 VanDerWaalsContact O-CB 3.25Å; D94-L97 WeakPolarHBondContact O-CB 3.22Å; D94-L97 PolarHBondContact O-N 3.35Å; E95-L97 PolarHBondContact O-N 2.85Å |
| 98 | L | 41.3 | Very low | 53.6 | Low | 129 Ų | 129 | 83.5 Ų | 83.5 | 68% | 0.675 | 44% | 0.442 | S | S | * | . | trans | -47.2 | 161.9 | 167.6 | -76.2 | 163.5 | 0 | 0 | 0 | 110.7 | E96 L100 | E96-L98 PolarHBondContact O-N 3.18Å; L98-L100 PolarHBondContact O-N 3.09Å | ||
| 99 | P | 48.7 | Very low | 53.8 | Low | 59 Ų | 59 | 83.8 Ų | 83.8 | 38% | 0.383 | 44% | 0.44 | S | S | . | . | trans | -47.9 | 141.6 | 176.7 | 19 | -32.4 | 0 | 0 | 0 | 111.7 | S101 | P99-S101 PolarHBondContact O-N 3.37Å; P99-S101 PolarHBondContact O-OG 3.43Å | ||
| 100 | L | 48.6 | Very low | 54.2 | Low | 31 Ų | 31 | 85.5 Ų | 85.5 | 16% | 0.162 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -61.1 | 65.1 | 172.3 | -76.9 | 163.4 | 0 | 0 | 0 | 109.7 | L98 E105 L106 V109 | L98-L100 PolarHBondContact O-N 3.09Å; L100-E105 WeakPolarHBondContact CA-OE2 3.29Å; L100-E105 HydrophobicContact CD2-CB 3.62Å; L100-L106 HydrophobicContact CD2-CG 4.12Å; L100-V109 HydrophobicContact CD2-CG2 4.08Å |
| 101 | S | 51.1 | Low | 54.6 | Low | 97 Ų | 97 | 87 Ų | 87 | 68% | 0.678 | 45% | 0.447 | S | S | * | . | trans | -97.2 | -17.4 | -176.6 | 54.6 | 0 | 0 | 0 | 0 | 110.5 | P99 | P99-S101 PolarHBondContact O-N 3.37Å; P99-S101 PolarHBondContact O-OG 3.43Å | ||
| 102 | T | 52.1 | Low | 55 | Low | 65 Ų | 65 | 89.8 Ų | 89.8 | 40% | 0.399 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -110.8 | 141.9 | 179.8 | 53 | 0 | 0 | 0 | 0 | 111.3 | E104 E105 L106 | T102-E104 PolarHBondContact O-N 2.87Å; T102-E105 PolarHBondContact O-N 3.31Å; T102-L106 PolarHBondContact O-N 3.22Å |
| 103 | G | 55.6 | Low | 55.2 | Low | 52 Ų | 52 | 86.2 Ų | 86.2 | 54% | 0.536 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.5 | -28.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L106 E107 | G103-L106 PolarHBondContact O-N 3.18Å; G103-E107 VanDerWaalsContact O-CB 3.3Å; G103-E107 WeakPolarHBondContact O-CB 3.39Å; G103-E107 PolarHBondContact O-N 3.09Å |
| 104 | E | 57.5 | Low | 55.6 | Low | 144 Ų | 144 | 86.1 Ų | 86.1 | 67% | 0.673 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.9 | -38.9 | 179 | -66.3 | -177.3 | 168.4 | 0 | 0 | 112.7 | T102 E107 Q108 | T102-E104 PolarHBondContact O-N 2.87Å; E104-E107 PolarHBondContact O-N 3.25Å; E104-Q108 WeakPolarHBondContact O-CG 3.29Å; E104-Q108 PolarHBondContact O-N 2.93Å |
| 105 | E | 57.2 | Low | 56 | Low | 40 Ų | 40 | 90 Ų | 90 | 19% | 0.187 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -73.8 | -39.6 | 178.3 | -69.2 | 178.5 | 173.4 | 0 | 0 | 111.5 | L100 T102 E107 Q108 V109 | L100-E105 WeakPolarHBondContact CA-OE2 3.29Å; L100-E105 HydrophobicContact CD2-CB 3.62Å; T102-E105 PolarHBondContact O-N 3.31Å; E105-E107 PolarHBondContact O-N 3.01Å; E105-Q108 PolarHBondContact O-N 3.14Å; E105-Q108 VanDerWaalsContact O-N 3.15Å; E105-V109 WeakPolarHBondContact O-CG2 3.49Å; E105-V109 PolarHBondContact O-N 2.93Å |
| 106 | L | 61 | Low | 56.2 | Low | 61 Ų | 61 | 85.2 Ų | 85.2 | 32% | 0.319 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -57.9 | -39.7 | 169.7 | -86.6 | 160 | 0 | 0 | 0 | 111.1 | L100 T102 G103 V109 R110 V126 | L100-L106 HydrophobicContact CD2-CG 4.12Å; T102-L106 PolarHBondContact O-N 3.22Å; G103-L106 PolarHBondContact O-N 3.18Å; L106-V109 PolarHBondContact O-N 3.04Å; L106-R110 WeakPolarHBondContact O-CB 3.38Å; L106-R110 VanDerWaalsContact O-CG 3.31Å; L106-R110 WeakPolarHBondContact O-CG 3.28Å; L106-R110 PolarHBondContact O-N 2.95Å; L106-V126 HydrophobicContact CD2-CB 4.36Å; L106-V126 HydrophobicContact CD2-CG1 3.9Å |
| 107 | E | 63.9 | Low | 56.6 | Low | 108 Ų | 108 | 79.7 Ų | 79.7 | 51% | 0.505 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.9 | -34.9 | 176 | -160 | 177.2 | 176.1 | 0 | 0 | 111.9 | G103 E104 E105 K111 | G103-E107 VanDerWaalsContact O-CB 3.3Å; G103-E107 WeakPolarHBondContact O-CB 3.39Å; G103-E107 PolarHBondContact O-N 3.09Å; E104-E107 PolarHBondContact O-N 3.25Å; E105-E107 PolarHBondContact O-N 3.01Å; E107-K111 WeakPolarHBondContact O-CB 3.12Å; E107-K111 WeakPolarHBondContact O-CG 3.22Å; E107-K111 PolarHBondContact O-N 3.41Å |
| 108 | Q | 63.8 | Low | 57.2 | Low | 101 Ų | 101 | 78.7 Ų | 78.7 | 47% | 0.472 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.2 | -41 | 171.4 | -75.7 | -176.3 | 20.3 | 0 | 0 | 112.6 | E104 E105 R110 K111 R112 | E104-Q108 WeakPolarHBondContact O-CG 3.29Å; E104-Q108 PolarHBondContact O-N 2.93Å; E105-Q108 PolarHBondContact O-N 3.14Å; E105-Q108 VanDerWaalsContact O-N 3.15Å; Q108-R110 VanDerWaalsContact C-N 3.34Å; Q108-K111 PolarHBondContact O-N 3.19Å; Q108-R112 WeakPolarHBondContact O-CB 3.37Å; Q108-R112 WeakPolarHBondContact O-CG 3.4Å; Q108-R112 PolarHBondContact O-N 3.07Å |
| 109 | V | 61.8 | Low | 57.6 | Low | 27 Ų | 27 | 75.4 Ų | 75.4 | 16% | 0.164 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 174.9 | 171.4 | 0 | 0 | 0 | 0 | 109.9 | V91 L100 E105 L106 R112 A113 | V91-V109 HydrophobicContact CB-CG1 4.25Å; V91-V109 HydrophobicContact CG1-CG1 4.27Å; V91-V109 HydrophobicContact CG2-CG1 4.26Å; L100-V109 HydrophobicContact CD2-CG2 4.08Å; E105-V109 WeakPolarHBondContact O-CG2 3.49Å; E105-V109 PolarHBondContact O-N 2.93Å; L106-V109 PolarHBondContact O-N 3.04Å; V109-R112 PolarHBondContact O-N 3.28Å; V109-A113 WeakPolarHBondContact O-CB 3.37Å; V109-A113 PolarHBondContact O-N 3.28Å |
| 110 | R | 63 | Low | 57.9 | Low | 115 Ų | 115 | 75.5 Ų | 75.5 | 43% | 0.434 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.1 | -49.2 | 171.4 | -78.5 | 178.6 | 177.7 | -161.9 | -3.4 | 111.3 | L106 Q108 R112 A113 E114 V126 | L106-R110 WeakPolarHBondContact O-CB 3.38Å; L106-R110 VanDerWaalsContact O-CG 3.31Å; L106-R110 WeakPolarHBondContact O-CG 3.28Å; L106-R110 PolarHBondContact O-N 2.95Å; Q108-R110 VanDerWaalsContact C-N 3.34Å; R110-R112 VanDerWaalsContact C-N 3.33Å; R110-R112 PolarHBondContact O-N 2.84Å; R110-A113 CarbonylContact O-C 3.53Å; R110-A113 WeakPolarHBondContact O-CA 3.46Å; R110-A113 WeakPolarHBondContact O-CB 3.41Å; R110-A113 PolarHBondContact O-N 2.9Å; R110-A113 VanDerWaalsContact O-N 3.08Å; R110-E114 WeakPolarHBondContact O-CB 3.21Å; R110-E114 WeakPolarHBondContact O-CG 3.4Å; R110-E114 PolarHBondContact O-N 3.15Å; R110-V126 HydrophobicContact CG-CG2 4.15Å |
| 111 | K | 64.7 | Low | 57.9 | Low | 104 Ų | 104 | 78.3 Ų | 78.3 | 45% | 0.452 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.2 | -40.2 | 175.7 | -79.9 | 178.8 | -178 | 174 | 0 | 113 | E107 Q108 E114 E115 | E107-K111 WeakPolarHBondContact O-CB 3.12Å; E107-K111 WeakPolarHBondContact O-CG 3.22Å; E107-K111 PolarHBondContact O-N 3.41Å; Q108-K111 PolarHBondContact O-N 3.19Å; K111-E114 WeakPolarHBondContact O-CB 3.42Å; K111-E114 PolarHBondContact O-N 3.38Å; K111-E115 WeakPolarHBondContact O-CB 3.26Å; K111-E115 VanDerWaalsContact O-CG 3.25Å; K111-E115 WeakPolarHBondContact O-CG 3.47Å; K111-E115 PolarHBondContact O-N 3.25Å |
| 112 | R | 62.5 | Low | 58.1 | Low | 113 Ų | 113 | 82.5 Ų | 82.5 | 43% | 0.426 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.4 | -37.5 | 174.4 | -75.4 | -176.2 | -172.2 | -176.5 | 3.7 | 112 | Q108 V109 R110 E114 E115 S116 | Q108-R112 WeakPolarHBondContact O-CB 3.37Å; Q108-R112 WeakPolarHBondContact O-CG 3.4Å; Q108-R112 PolarHBondContact O-N 3.07Å; V109-R112 PolarHBondContact O-N 3.28Å; R110-R112 VanDerWaalsContact C-N 3.33Å; R110-R112 PolarHBondContact O-N 2.84Å; R112-E114 VanDerWaalsContact C-N 3.34Å; R112-E115 PolarHBondContact O-N 3.49Å; R112-S116 WeakPolarHBondContact O-CB 3.5Å; R112-S116 PolarHBondContact O-N 2.64Å; R112-S116 PolarHBondContact O-OG 3.33Å |
| 113 | A | 59.7 | Low | 58.3 | Low | 15 Ų | 15 | 86.6 Ų | 86.6 | 12% | 0.124 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -70 | -30.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V91 V109 R110 S116 V118 | V91-A113 HydrophobicContact CG2-CB 4.38Å; V109-A113 WeakPolarHBondContact O-CB 3.37Å; V109-A113 PolarHBondContact O-N 3.28Å; R110-A113 CarbonylContact O-C 3.53Å; R110-A113 WeakPolarHBondContact O-CA 3.46Å; R110-A113 WeakPolarHBondContact O-CB 3.41Å; R110-A113 PolarHBondContact O-N 2.9Å; R110-A113 VanDerWaalsContact O-N 3.08Å; A113-S116 WeakPolarHBondContact CA-OG 3.28Å; A113-S116 PolarHBondContact O-OG 3.23Å; A113-V118 PolarHBondContact O-N 3.31Å |
| 114 | E | 61.5 | Low | 58.4 | Low | 84 Ų | 84 | 85.9 Ų | 85.9 | 39% | 0.393 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70.3 | -46 | 171.7 | -70.5 | 162 | -165.8 | 0 | 0 | 110.6 | R110 K111 R112 S116 G117 | R110-E114 WeakPolarHBondContact O-CB 3.21Å; R110-E114 WeakPolarHBondContact O-CG 3.4Å; R110-E114 PolarHBondContact O-N 3.15Å; K111-E114 WeakPolarHBondContact O-CB 3.42Å; K111-E114 PolarHBondContact O-N 3.38Å; R112-E114 VanDerWaalsContact C-N 3.34Å; E114-S116 VanDerWaalsContact C-N 3.3Å; E114-S116 PolarHBondContact O-N 3.35Å; E114-G117 PolarHBondContact O-N 3.08Å |
| 115 | E | 59.4 | Low | 58.5 | Low | 163 Ų | 163 | 87.7 Ų | 87.7 | 76% | 0.762 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66.1 | -30.4 | 176.7 | -76 | 173.9 | -177.5 | 0 | 0 | 112.4 | K111 R112 G117 | K111-E115 WeakPolarHBondContact O-CB 3.26Å; K111-E115 VanDerWaalsContact O-CG 3.25Å; K111-E115 WeakPolarHBondContact O-CG 3.47Å; K111-E115 PolarHBondContact O-N 3.25Å; R112-E115 PolarHBondContact O-N 3.49Å; E115-G117 PolarHBondContact O-N 3.35Å |
| 116 | S | 57 | Low | 58.6 | Low | 37 Ų | 37 | 88.5 Ų | 88.5 | 26% | 0.259 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -5.7 | 172.1 | 67.4 | 0 | 0 | 0 | 0 | 113 | L59 R112 A113 E114 V118 | L59-S116 WeakPolarHBondContact CD2-O 3.1Å; R112-S116 WeakPolarHBondContact O-CB 3.5Å; R112-S116 PolarHBondContact O-N 2.64Å; R112-S116 PolarHBondContact O-OG 3.33Å; A113-S116 WeakPolarHBondContact CA-OG 3.28Å; A113-S116 PolarHBondContact O-OG 3.23Å; E114-S116 VanDerWaalsContact C-N 3.3Å; E114-S116 PolarHBondContact O-N 3.35Å; S116-V118 PolarHBondContact O-N 3.11Å; S116-V118 WeakPolarHBondContact OG-CG2 3.49Å |
| 117 | G | 55 | Low | 58.4 | Low | 64 Ų | 64 | 93.3 Ų | 93.3 | 66% | 0.66 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 17 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E114 E115 | E114-G117 PolarHBondContact O-N 3.08Å; E115-G117 PolarHBondContact O-N 3.35Å |
| 118 | V | 54.7 | Low | 58.2 | Low | 44 Ų | 44 | 93.1 Ų | 93.1 | 27% | 0.267 | 48% | 0.477 | S | S | . | . | trans | -76.2 | -31.4 | -168.8 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | G88 A113 S116 | G88-V118 VanDerWaalsContact O-CG2 3.23Å; G88-V118 WeakPolarHBondContact O-CG2 3.47Å; A113-V118 PolarHBondContact O-N 3.31Å; S116-V118 PolarHBondContact O-N 3.11Å; S116-V118 WeakPolarHBondContact OG-CG2 3.49Å | ||
| 119 | C | 50.1 | Low | 57.9 | Low | 59 Ų | 59 | 95 Ų | 95 | 40% | 0.399 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -158.7 | 158.9 | 179.2 | -85.6 | 0 | 0 | 0 | 0 | 112.9 | L124 | C119-L124 HydrophobicContact CB-CD1 4.32Å; C119-L124 HydrophobicContact CB-CD2 3.76Å; C119-L124 HydrophobicContact CB-CG 3.88Å |
| 120 | S | 55.3 | Low | 57.7 | Low | 61 Ų | 61 | 99 Ų | 99 | 43% | 0.427 | 52% | 0.516 | S | S | . | . | trans | -69.2 | 147.5 | 165.6 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | E122 Q123 | S120-E122 PolarHBondContact O-N 3.23Å; S120-E122 VanDerWaalsContact O-N 3.08Å; S120-Q123 PolarHBondContact O-N 2.92Å | ||
| 121 | P | 49.4 | Very low | 57.7 | Low | 90 Ų | 90 | 100.7 Ų | 100.7 | 58% | 0.584 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -60.1 | -27.1 | -169.8 | 21.3 | -33.3 | 0 | 0 | 0 | 114.6 | Q123 | P121-Q123 VanDerWaalsContact C-N 3.26Å; P121-Q123 PolarHBondContact O-N 3.08Å |
| 122 | E | 54.4 | Low | 57.8 | Low | 186 Ų | 186 | 98 Ų | 98 | 87% | 0.869 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -76.7 | -9.3 | -174.3 | -65.1 | 169.5 | 177.6 | 0 | 0 | 113.8 | S120 | S120-E122 PolarHBondContact O-N 3.23Å; S120-E122 VanDerWaalsContact O-N 3.08Å |
| 123 | Q | 56.7 | Low | 58.4 | Low | 150 Ų | 150 | 97.6 Ų | 97.6 | 70% | 0.701 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -117.5 | 5.2 | -173.2 | -65.8 | -177.1 | -12.8 | 0 | 0 | 114.5 | S120 P121 E125 | S120-Q123 PolarHBondContact O-N 2.92Å; P121-Q123 VanDerWaalsContact C-N 3.26Å; P121-Q123 PolarHBondContact O-N 3.08Å; Q123-E125 PolarHBondContact O-N 2.98Å |
| 124 | L | 57.4 | Low | 59.5 | Low | 37 Ų | 37 | 98.3 Ų | 98.3 | 19% | 0.194 | 54% | 0.539 | C | S | . | . | trans | -89 | 99.3 | -176.6 | -76.1 | 165.1 | 0 | 0 | 0 | 112.1 | C119 | C119-L124 HydrophobicContact CB-CD1 4.32Å; C119-L124 HydrophobicContact CB-CD2 3.76Å; C119-L124 HydrophobicContact CB-CG 3.88Å | ||
| 125 | E | 60.4 | Low | 60.8 | Low | 182 Ų | 182 | 95 Ų | 95 | 85% | 0.85 | 53% | 0.525 | S | S | * | . | trans | -86.4 | 114.8 | 163.1 | -167.9 | 170.4 | -171.9 | 0 | 0 | 109.3 | Q123 | Q123-E125 PolarHBondContact O-N 2.98Š| ||
| 126 | V | 58.3 | Low | 62.3 | Low | 58 Ų | 58 | 91.3 Ų | 91.3 | 35% | 0.352 | 51% | 0.508 | S | S | . | . | trans | -98.1 | 111.7 | 178.2 | -179.2 | 0 | 0 | 0 | 0 | 108 | L106 R110 | L106-V126 HydrophobicContact CD2-CB 4.36Å; L106-V126 HydrophobicContact CD2-CG1 3.9Å; R110-V126 HydrophobicContact CG-CG2 4.15Å | ||
| 127 | Q | 58.4 | Low | 64 | Low | 161 Ų | 161 | 89.8 Ų | 89.8 | 75% | 0.752 | 50% | 0.497 | S | S | * | . | trans | -105.8 | 121 | 177.7 | -166.6 | 176.7 | 4.1 | 0 | 0 | 110.3 | Q129 | Q127-Q129 PolarHBondContact O-N 3.09Š| ||
| 128 | E | 59 | Low | 65.7 | Low | 104 Ų | 104 | 86.8 Ų | 86.8 | 49% | 0.486 | 47% | 0.465 | S | S | . | . | trans | -73.5 | 115 | 172 | -179.2 | 163.5 | -144.6 | 0 | 0 | 109.9 | R93 | R93-E128 IonicContact CZ-OE1 2.62Å; R93-E128 IonicContact NH1-OE1 3.7Å; R93-E128 PolarHBondContact NH1-OE1 3.08Å; R93-E128 IonicContact NH2-OE1 2.72Å | ||
| 129 | Q | 56.9 | Low | 67.3 | Low | 142 Ų | 142 | 88.9 Ų | 88.9 | 66% | 0.664 | 47% | 0.469 | S | S | * | . | trans | -82.2 | 151.9 | 168.2 | -66.3 | -173 | -2.4 | 0 | 0 | 110.5 | Q127 K131 | Q127-Q129 PolarHBondContact O-N 3.09Å; Q129-K131 PolarHBondContact O-N 3.28Å | ||
| 130 | S | 58.4 | Low | 69.3 | Low | 111 Ų | 111 | 87.4 Ų | 87.4 | 78% | 0.776 | 46% | 0.457 | S | S | * | . | trans | -52.4 | 135.3 | 172.4 | 51.1 | 0 | 0 | 0 | 0 | 110.3 | A132 | S130-A132 PolarHBondContact O-N 2.92Š| ||
| 131 | K | 61.5 | Low | 70.9 | Confident | 149 Ų | 149 | 85.1 Ų | 85.1 | 65% | 0.648 | 44% | 0.439 | S | S | * | . | trans | -56.8 | 108.3 | 175.8 | -68 | -174.3 | 177.6 | -170.8 | 0 | 109.4 | Q129 | Q129-K131 PolarHBondContact O-N 3.28Š| ||
| 132 | A | 68.2 | Low | 72.5 | Confident | 48 Ų | 48 | 82.5 Ų | 82.5 | 40% | 0.397 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 136.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109 | G78 H79 S130 I134 | G78-A132 VanDerWaalsContact O-CB 3.25Å; G78-A132 WeakPolarHBondContact O-CB 3.34Å; H79-A132 HydrophobicContact CB-CB 4.21Å; S130-A132 PolarHBondContact O-N 2.92Å; A132-I134 PolarHBondContact O-N 3.18Å |
| 133 | S | 74.5 | Confident | 74 | Confident | 105 Ų | 105 | 79.3 Ų | 79.3 | 73% | 0.734 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 122.7 | 170.1 | 55.6 | 0 | 0 | 0 | 0 | 108.9 | ||
| 134 | I | 83.7 | Confident | 75.3 | Confident | 29 Ų | 29 | 79.6 Ų | 79.6 | 15% | 0.149 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -103 | 128.8 | 174.1 | -175.6 | 171.3 | 0 | 0 | 0 | 109.8 | H79 A132 Q138 R139 L142 | H79-I134 HydrophobicContact CB-CB 4.12Å; H79-I134 HydrophobicContact CB-CD1 4.47Å; H79-I134 HydrophobicContact CB-CG1 4.29Å; A132-I134 PolarHBondContact O-N 3.18Å; I134-Q138 HydrophobicContact CD1-CB 3.86Å; I134-Q138 HydrophobicContact CG1-CB 3.49Å; I134-Q138 VanDerWaalsContact CG1-CB 3.49Å; I134-R139 HydrophobicContact CB-CG 4.18Å; I134-R139 HydrophobicContact CD1-CG 3.92Å; I134-R139 HydrophobicContact CG1-CG 3.89Å; I134-R139 HydrophobicContact CG2-CG 3.39Å; I134-R139 PolarHBondContact O-NE 3.29Å; I134-R139 VanDerWaalsContact O-NE 3.1Å; I134-R139 PolarHBondContact O-NH2 3.22Å; I134-L142 HydrophobicContact CD1-CD1 3.34Å |
| 135 | S | 88.2 | Confident | 76.8 | Confident | 14 Ų | 14 | 80 Ų | 80 | 10% | 0.098 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 154.3 | 178.4 | 86.2 | 0 | 0 | 0 | 0 | 110.7 | Y137 Q138 R139 D163 | S135-Y137 PolarHBondContact O-N 3.14Å; S135-Q138 PolarHBondContact O-N 2.66Å; S135-Q138 WeakPolarHBondContact OG-CB 3.31Å; S135-Q138 VanDerWaalsContact OG-CG 3.25Å; S135-Q138 WeakPolarHBondContact OG-CG 3.34Å; S135-Q138 PolarHBondContact OG-N 3.06Å; S135-Q138 VanDerWaalsContact OG-N 3.1Å; S135-R139 PolarHBondContact O-N 3.02Å; S135-D163 PolarHBondContact OG-O 2.93Å |
| 136 | E | 90.9 | Very high | 78.1 | Confident | 87 Ų | 87 | 73.5 Ų | 73.5 | 41% | 0.407 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.3 | -37.7 | 177.9 | -172.8 | 179.1 | -177 | 0 | 0 | 111.7 | R139 D140 K150 Y152 | E136-R139 PolarHBondContact O-N 3.4Å; E136-D140 PolarHBondContact O-N 3.31Å; E136-K150 WeakPolarHBondContact OE1-CE 3.37Å; E136-K150 IonicContact OE1-NZ 3.76Å; E136-K150 PolarHBondContact OE1-NZ 3.47Å; E136-Y152 HydrophobicContact CB-CD1 4.17Å; E136-Y152 HydrophobicContact CG-CD1 4.08Å; E136-Y152 HydrophobicContact CG-CE1 4.09Å |
| 137 | Y | 92.5 | Very high | 79.6 | Confident | 4 Ų | 4 | 74.1 Ų | 74.1 | 2% | 0.016 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 174.6 | 176.1 | -102.1 | 0 | 0 | 0 | 111.6 | S135 D140 L141 V146 Y152 L154 D163 L477 P478 | S135-Y137 PolarHBondContact O-N 3.14Å; Y137-D140 PolarHBondContact O-N 2.94Å; Y137-L141 HydrophobicContact CE1-CD2 4.27Å; Y137-L141 VanDerWaalsContact O-CB 3.28Å; Y137-L141 WeakPolarHBondContact O-CB 3.18Å; Y137-L141 PolarHBondContact O-N 3.46Å; Y137-V146 HydrophobicContact CE2-CG1 4.08Å; Y137-V146 HydrophobicContact CE2-CG2 4.34Å; Y137-Y152 VanDerWaalsContact CA-CD1 3.45Å; Y137-Y152 VanDerWaalsContact CA-CE1 3.47Å; Y137-Y152 HydrophobicContact CD2-CD1 4.41Å; Y137-Y152 AromaticContact CD2-CD2 3.87Å; Y137-Y152 HydrophobicContact CD2-CD2 3.87Å; Y137-Y152 HydrophobicContact CD2-CE1 4.44Å; Y137-Y152 AromaticContact CD2-CE2 3.93Å; Y137-Y152 HydrophobicContact CD2-CE2 3.93Å; Y137-Y152 HydrophobicContact CD2-CG 4.12Å; Y137-L154 HydrophobicContact CG-CD1 4.45Å; Y137-L154 HydrophobicContact CG-CD2 4.32Å; Y137-D163 WeakPolarHBondContact CD1-O 3.41Å; Y137-L477 HydrophobicContact CE2-CB 4.31Å; Y137-P478 HydrophobicContact CE1-CB 4.02Å; Y137-P478 HydrophobicContact CE1-CG 4.41Å; Y137-P478 HydrophobicContact CE2-CB 4.29Å; Y137-P478 WeakPolarHBondContact OH-CD 3.47Å |
| 138 | Q | 91 | Very high | 80.9 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.8 | -38 | 179.1 | -71.6 | -66.9 | -35.6 | 0 | 0 | 112.4 | H79 I134 S135 L141 L142 V162 D163 L165 | H79-Q138 PolarHBondContact NE2-OE1 2.91Å; I134-Q138 HydrophobicContact CD1-CB 3.86Å; I134-Q138 HydrophobicContact CG1-CB 3.49Å; I134-Q138 VanDerWaalsContact CG1-CB 3.49Å; S135-Q138 PolarHBondContact O-N 2.66Å; S135-Q138 WeakPolarHBondContact OG-CB 3.31Å; S135-Q138 VanDerWaalsContact OG-CG 3.25Å; S135-Q138 WeakPolarHBondContact OG-CG 3.34Å; S135-Q138 PolarHBondContact OG-N 3.06Å; S135-Q138 VanDerWaalsContact OG-N 3.1Å; Q138-L141 PolarHBondContact O-N 3.37Å; Q138-L142 WeakPolarHBondContact O-CB 3.37Å; Q138-L142 WeakPolarHBondContact O-CG 3.2Å; Q138-L142 PolarHBondContact O-N 2.99Å; Q138-V162 VanDerWaalsContact CD-O 3.29Å; Q138-V162 PolarHBondContact NE2-O 3.42Å; Q138-V162 VanDerWaalsContact NE2-O 3.07Å; Q138-D163 WeakPolarHBondContact CG-O 3.28Å; Q138-L165 PolarHBondContact NE2-O 3.33Å |
| 139 | R | 88.9 | Confident | 82.1 | Confident | 89 Ų | 89 | 72 Ų | 72 | 34% | 0.336 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 173.4 | -81.5 | -177.9 | -86.5 | 135.5 | -2.8 | 111.9 | I134 S135 E136 L141 K143 | I134-R139 HydrophobicContact CB-CG 4.18Å; I134-R139 HydrophobicContact CD1-CG 3.92Å; I134-R139 HydrophobicContact CG1-CG 3.89Å; I134-R139 HydrophobicContact CG2-CG 3.39Å; I134-R139 PolarHBondContact O-NE 3.29Å; I134-R139 VanDerWaalsContact O-NE 3.1Å; I134-R139 PolarHBondContact O-NH2 3.22Å; S135-R139 PolarHBondContact O-N 3.02Å; E136-R139 PolarHBondContact O-N 3.4Å; R139-L141 VanDerWaalsContact C-N 3.34Å; R139-K143 WeakPolarHBondContact O-CG 3.42Å; R139-K143 PolarHBondContact O-N 2.99Å |
| 140 | D | 91 | Very high | 83.8 | Confident | 27 Ų | 27 | 68.1 Ų | 68.1 | 14% | 0.144 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.1 | -37 | 178.2 | -73.1 | -3.3 | 0 | 0 | 0 | 111.2 | E136 Y137 K143 N144 A145 V146 K150 Y152 | E136-D140 PolarHBondContact O-N 3.31Å; Y137-D140 PolarHBondContact O-N 2.94Å; D140-K143 CarbonylContact O-C 3.55Å; D140-K143 PolarHBondContact O-N 3.38Å; D140-N144 PolarHBondContact O-N 2.87Å; D140-N144 VanDerWaalsContact O-N 3.13Å; D140-A145 PolarHBondContact O-N 2.84Å; D140-V146 HydrophobicContact CB-CG2 4.02Å; D140-K150 IonicContact OD1-NZ 3.4Å; D140-K150 IonicContact OD2-NZ 3.07Å; D140-K150 PolarHBondContact OD2-NZ 3.45Å; D140-Y152 HydrophobicContact CB-CE1 4.18Å; D140-Y152 WeakPolarHBondContact CB-OH 3.37Å; D140-Y152 WeakPolarHBondContact OD2-CE1 3.3Å; D140-Y152 VanDerWaalsContact OD2-CZ 3.32Å; D140-Y152 PolarHBondContact OD2-OH 3.06Å |
| 141 | L | 89.2 | Confident | 85.3 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 7% | 0.068 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.7 | -48 | 176.3 | -176.8 | 64.7 | 0 | 0 | 0 | 111.8 | Y137 Q138 R139 K143 N144 V146 L165 Y166 | Y137-L141 HydrophobicContact CE1-CD2 4.27Å; Y137-L141 VanDerWaalsContact O-CB 3.28Å; Y137-L141 WeakPolarHBondContact O-CB 3.18Å; Y137-L141 PolarHBondContact O-N 3.46Å; Q138-L141 PolarHBondContact O-N 3.37Å; R139-L141 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 3.49Å; L141-N144 PolarHBondContact O-N 2.79Å; L141-V146 VanDerWaalsContact CA-CG2 3.48Å; L141-V146 HydrophobicContact CB-CG2 3.92Å; L141-V146 HydrophobicContact CD1-CG2 4.13Å; L141-L165 WeakPolarHBondContact CD2-O 3.33Å; L141-Y166 HydrophobicContact CD1-CD2 3.49Å; L141-Y166 VanDerWaalsContact CD1-CD2 3.49Å; L141-Y166 HydrophobicContact CD1-CE2 3.55Å; L141-Y166 HydrophobicContact CD2-CD2 4.26Å |
| 142 | L | 83.2 | Confident | 86.8 | Confident | 36 Ų | 36 | 60.4 Ų | 60.4 | 19% | 0.188 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.2 | -29.9 | 177.2 | -72 | 171.3 | 0 | 0 | 0 | 112.9 | I134 Q138 N144 | I134-L142 HydrophobicContact CD1-CD1 3.34Å; Q138-L142 WeakPolarHBondContact O-CB 3.37Å; Q138-L142 WeakPolarHBondContact O-CG 3.2Å; Q138-L142 PolarHBondContact O-N 2.99Å; L142-N144 VanDerWaalsContact C-N 3.29Å |
| 143 | K | 84.7 | Confident | 88 | Confident | 119 Ų | 119 | 64.1 Ų | 64.1 | 52% | 0.517 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 1.2 | 176.6 | -69 | 179.6 | -179.9 | -174.4 | 0 | 113.4 | R139 D140 L141 A145 | R139-K143 WeakPolarHBondContact O-CG 3.42Å; R139-K143 PolarHBondContact O-N 2.99Å; D140-K143 CarbonylContact O-C 3.55Å; D140-K143 PolarHBondContact O-N 3.38Å; L141-K143 PolarHBondContact O-N 3.49Å; K143-A145 HydrophobicContact CB-CB 3.97Å; K143-A145 PolarHBondContact O-N 3.22Å |
| 144 | N | 84.1 | Confident | 89.1 | Confident | 155 Ų | 155 | 59.4 Ų | 59.4 | 83% | 0.829 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 37.1 | -169.1 | -63.6 | -44.6 | 0 | 0 | 0 | 112.4 | D140 L141 L142 | D140-N144 PolarHBondContact O-N 2.87Å; D140-N144 VanDerWaalsContact O-N 3.13Å; L141-N144 PolarHBondContact O-N 2.79Å; L142-N144 VanDerWaalsContact C-N 3.29Å |
| 145 | A | 89.4 | Confident | 89.6 | Confident | 46 Ų | 46 | 58.9 Ų | 58.9 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | trans | -117.7 | 17.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D140 K143 V147 | D140-A145 PolarHBondContact O-N 2.84Å; K143-A145 HydrophobicContact CB-CB 3.97Å; K143-A145 PolarHBondContact O-N 3.22Å; A145-V147 PolarHBondContact O-N 3.38Å | ||
| 146 | V | 88.6 | Confident | 89.9 | Confident | 46 Ų | 46 | 62.1 Ų | 62.1 | 28% | 0.279 | 33% | 0.333 | S | S | . | . | trans | -64.8 | 119.8 | 175.8 | 178.7 | 0 | 0 | 0 | 0 | 109 | Y137 D140 L141 Y152 | Y137-V146 HydrophobicContact CE2-CG1 4.08Å; Y137-V146 HydrophobicContact CE2-CG2 4.34Å; D140-V146 HydrophobicContact CB-CG2 4.02Å; L141-V146 VanDerWaalsContact CA-CG2 3.48Å; L141-V146 HydrophobicContact CB-CG2 3.92Å; L141-V146 HydrophobicContact CD1-CG2 4.13Å; V146-Y152 HydrophobicContact CG1-CE2 4.21Å | ||
| 147 | V | 88.1 | Confident | 90 | Very high | 70 Ų | 70 | 60.6 Ų | 60.6 | 42% | 0.424 | 33% | 0.33 | S | S | . | . | trans | -95 | 118.4 | 174.6 | 178.3 | 0 | 0 | 0 | 0 | 107.9 | A145 E149 K150 | A145-V147 PolarHBondContact O-N 3.38Å; V147-E149 WeakPolarHBondContact CG1-OE2 3.43Å; V147-E149 PolarHBondContact O-N 3.11Å; V147-E149 VanDerWaalsContact O-N 3.14Å; V147-K150 HydrophobicContact CB-CB 3.87Å; V147-K150 HydrophobicContact CG1-CB 4.27Å; V147-K150 WeakPolarHBondContact O-CB 3.22Å; V147-K150 PolarHBondContact O-N 3.18Å | ||
| 148 | P | 85.6 | Confident | 90.1 | Very high | 79 Ų | 79 | 61 Ų | 61 | 51% | 0.513 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -36.4 | -176.1 | -28.3 | 35.8 | 0 | 0 | 0 | 113.9 | L477 R506 | P148-L477 WeakPolarHBondContact O-CD1 3.25Å; P148-R506 PolarHBondContact O-NH1 2.64Å |
| 149 | E | 86.1 | Confident | 90 | Very high | 141 Ų | 141 | 66.4 Ų | 66.4 | 66% | 0.659 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -11.1 | -177.5 | -55.8 | 76.2 | -165.1 | 0 | 0 | 113.6 | V147 R506 | V147-E149 WeakPolarHBondContact CG1-OE2 3.43Å; V147-E149 PolarHBondContact O-N 3.11Å; V147-E149 VanDerWaalsContact O-N 3.14Å; E149-R506 PolarHBondContact O-NH2 2.72Å |
| 150 | K | 91 | Very high | 90.2 | Very high | 62 Ų | 62 | 62.6 Ų | 62.6 | 27% | 0.27 | 35% | 0.35 | S | S | . | . | trans | -68.9 | 134.4 | 178.4 | 179.8 | 171.6 | 171.9 | -174.7 | 0 | 110 | E136 D140 V147 Y152 R506 | E136-K150 WeakPolarHBondContact OE1-CE 3.37Å; E136-K150 IonicContact OE1-NZ 3.76Å; E136-K150 PolarHBondContact OE1-NZ 3.47Å; D140-K150 IonicContact OD1-NZ 3.4Å; D140-K150 IonicContact OD2-NZ 3.07Å; D140-K150 PolarHBondContact OD2-NZ 3.45Å; V147-K150 HydrophobicContact CB-CB 3.87Å; V147-K150 HydrophobicContact CG1-CB 4.27Å; V147-K150 WeakPolarHBondContact O-CB 3.22Å; V147-K150 PolarHBondContact O-N 3.18Å; K150-Y152 HydrophobicContact CB-CE2 4Å; K150-Y152 HydrophobicContact CD-CE1 3.9Å; K150-Y152 HydrophobicContact CD-CE2 4.22Å; K150-Y152 HydrophobicContact CG-CD2 4.42Å; K150-Y152 HydrophobicContact CG-CE1 4.35Å; K150-Y152 HydrophobicContact CG-CE2 4.04Å; K150-R506 PolarHBondContact O-NH2 2.67Å | ||
| 151 | N | 90.2 | Very high | 90.4 | Very high | 91 Ų | 91 | 61.3 Ų | 61.3 | 49% | 0.487 | 34% | 0.343 | S | S | . | . | trans | -95.3 | 103 | 178.2 | -175.8 | -4.9 | 0 | 0 | 0 | 109.3 | Q153 Y481 | N151-Q153 PolarHBondContact O-N 3.24Å; N151-Q153 WeakPolarHBondContact OD1-CA 3.45Å; N151-Q153 WeakPolarHBondContact OD1-CG 3.22Å; N151-Q153 PolarHBondContact OD1-N 3.38Å; N151-Y481 PolarHBondContact OD1-OH 2.99Å; N151-Y481 VanDerWaalsContact OD1-OH 3.09Å | ||
| 152 | Y | 93.9 | Very high | 90.7 | Very high | 6 Ų | 6 | 60.8 Ų | 60.8 | 2% | 0.024 | 34% | 0.34 | C | S | . | . | trans | -79.7 | -4.6 | 177.8 | -67.4 | -84 | 0 | 0 | 0 | 113.7 | E136 Y137 D140 V146 K150 L154 T157 L477 | E136-Y152 HydrophobicContact CB-CD1 4.17Å; E136-Y152 HydrophobicContact CG-CD1 4.08Å; E136-Y152 HydrophobicContact CG-CE1 4.09Å; Y137-Y152 VanDerWaalsContact CA-CD1 3.45Å; Y137-Y152 VanDerWaalsContact CA-CE1 3.47Å; Y137-Y152 HydrophobicContact CD2-CD1 4.41Å; Y137-Y152 AromaticContact CD2-CD2 3.87Å; Y137-Y152 HydrophobicContact CD2-CD2 3.87Å; Y137-Y152 HydrophobicContact CD2-CE1 4.44Å; Y137-Y152 AromaticContact CD2-CE2 3.93Å; Y137-Y152 HydrophobicContact CD2-CE2 3.93Å; Y137-Y152 HydrophobicContact CD2-CG 4.12Å; D140-Y152 HydrophobicContact CB-CE1 4.18Å; D140-Y152 WeakPolarHBondContact CB-OH 3.37Å; D140-Y152 WeakPolarHBondContact OD2-CE1 3.3Å; D140-Y152 VanDerWaalsContact OD2-CZ 3.32Å; D140-Y152 PolarHBondContact OD2-OH 3.06Å; V146-Y152 HydrophobicContact CG1-CE2 4.21Å; K150-Y152 HydrophobicContact CB-CE2 4Å; K150-Y152 HydrophobicContact CD-CE1 3.9Å; K150-Y152 HydrophobicContact CD-CE2 4.22Å; K150-Y152 HydrophobicContact CG-CD2 4.42Å; K150-Y152 HydrophobicContact CG-CE1 4.35Å; K150-Y152 HydrophobicContact CG-CE2 4.04Å; Y152-L154 PolarHBondContact O-N 3Å; Y152-T157 PolarHBondContact O-OG1 3.4Å; Y152-L477 HydrophobicContact CD2-CD1 3.67Å; Y152-L477 HydrophobicContact CD2-CD2 4.25Å; Y152-L477 HydrophobicContact CE2-CD1 3.67Å | ||
| 153 | Q | 94 | Very high | 91.2 | Very high | 126 Ų | 126 | 59.7 Ų | 59.7 | 59% | 0.589 | 33% | 0.334 | S | S | * | . | trans | 50.9 | 42.1 | -178.6 | -58.8 | -179.8 | -39.6 | 0 | 0 | 112.3 | N151 A155 A156 T157 | N151-Q153 PolarHBondContact O-N 3.24Å; N151-Q153 WeakPolarHBondContact OD1-CA 3.45Å; N151-Q153 WeakPolarHBondContact OD1-CG 3.22Å; N151-Q153 PolarHBondContact OD1-N 3.38Å; Q153-A155 PolarHBondContact O-N 3.18Å; Q153-A155 VanDerWaalsContact O-N 3.14Å; Q153-A156 WeakPolarHBondContact O-CA 3.39Å; Q153-A156 PolarHBondContact O-N 3.5Å; Q153-T157 PolarHBondContact O-N 3.37Å; Q153-T157 VanDerWaalsContact O-N 3.08Å; Q153-T157 PolarHBondContact O-OG1 3.12Å | ||
| 154 | L | 95.7 | Very high | 91.7 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.5 | -32.6 | -172.2 | -74.4 | 172.6 | 0 | 0 | 0 | 113.2 | Y137 Y152 A156 T157 A158 F164 Y328 L477 P478 | Y137-L154 HydrophobicContact CG-CD1 4.45Å; Y137-L154 HydrophobicContact CG-CD2 4.32Å; Y152-L154 PolarHBondContact O-N 3Å; L154-A156 PolarHBondContact O-N 3.04Å; L154-T157 WeakPolarHBondContact CA-OG1 3.41Å; L154-T157 PolarHBondContact O-N 3.33Å; L154-A158 WeakPolarHBondContact O-CB 3.47Å; L154-A158 PolarHBondContact O-N 2.89Å; L154-F164 HydrophobicContact CD1-CB 4.24Å; L154-F164 HydrophobicContact CD2-CB 4.39Å; L154-Y328 HydrophobicContact CB-CD1 4.32Å; L154-Y328 HydrophobicContact CB-CE1 3.7Å; L154-Y328 HydrophobicContact CB-CE2 3.96Å; L154-Y328 VanDerWaalsContact CB-CZ 3.49Å; L154-Y328 HydrophobicContact CD1-CE2 4.15Å; L154-L477 HydrophobicContact CD1-CD2 4.28Å; L154-P478 HydrophobicContact CD1-CB 3.83Å |
| 155 | A | 95.7 | Very high | 92.2 | Very high | 19 Ų | 19 | 46.8 Ų | 46.8 | 16% | 0.157 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -54.8 | -36.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q153 N326 Y328 Q329 E482 | Q153-A155 PolarHBondContact O-N 3.18Å; Q153-A155 VanDerWaalsContact O-N 3.14Å; A155-N326 PolarHBondContact O-ND2 2.84Å; A155-Y328 HydrophobicContact CB-CD1 4.28Å; A155-Y328 HydrophobicContact CB-CE1 4.49Å; A155-Q329 HydrophobicContact CB-CG 4.3Å; A155-E482 WeakPolarHBondContact CB-OE1 3.26Å |
| 156 | A | 94.8 | Very high | 92.4 | Very high | 81 Ų | 81 | 49 Ų | 49 | 67% | 0.669 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -93 | -21.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q153 L154 | Q153-A156 WeakPolarHBondContact O-CA 3.39Å; Q153-A156 PolarHBondContact O-N 3.5Å; L154-A156 PolarHBondContact O-N 3.04Å |
| 157 | T | 93.1 | Very high | 92.4 | Very high | 55 Ų | 55 | 46.8 Ų | 46.8 | 34% | 0.337 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -108.2 | -19.5 | -171.3 | 60.9 | 0 | 0 | 0 | 0 | 114.5 | Y152 Q153 L154 N159 | Y152-T157 PolarHBondContact O-OG1 3.4Å; Q153-T157 PolarHBondContact O-N 3.37Å; Q153-T157 VanDerWaalsContact O-N 3.08Å; Q153-T157 PolarHBondContact O-OG1 3.12Å; L154-T157 WeakPolarHBondContact CA-OG1 3.41Å; L154-T157 PolarHBondContact O-N 3.33Å; T157-N159 PolarHBondContact O-N 3.15Å; T157-N159 VanDerWaalsContact O-N 3.13Å; T157-N159 PolarHBondContact O-ND2 3.34Å |
| 158 | A | 93.3 | Very high | 92.4 | Very high | 13 Ų | 13 | 46 Ų | 46 | 11% | 0.107 | 25% | 0.246 | C | C | . | . | trans | -80 | 88.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L154 D163 F164 Y328 | L154-A158 WeakPolarHBondContact O-CB 3.47Å; L154-A158 PolarHBondContact O-N 2.89Å; A158-D163 HydrophobicContact CB-CB 4.12Å; A158-F164 HydrophobicContact CB-CD1 3.89Å; A158-F164 HydrophobicContact CB-CE1 4.44Å; A158-Y328 HydrophobicContact CB-CD2 4.35Å; A158-Y328 HydrophobicContact CB-CG 4.26Å | ||
| 159 | N | 90 | Very high | 92.7 | Very high | 115 Ų | 115 | 42.5 Ų | 42.5 | 62% | 0.615 | 22% | 0.223 | S | C | * | . | trans | -86.4 | -16.6 | 179.2 | -65.7 | -72 | 0 | 0 | 0 | 113.1 | Y18 T157 D163 R182 | Y18-N159 PolarHBondContact OH-O 2.98Å; Y18-N159 VanDerWaalsContact OH-O 3.05Å; T157-N159 PolarHBondContact O-N 3.15Å; T157-N159 VanDerWaalsContact O-N 3.13Å; T157-N159 PolarHBondContact O-ND2 3.34Å; N159-D163 PolarHBondContact N-OD2 2.88Å; N159-R182 PolarHBondContact O-NH1 2.66Å; N159-R182 PolarHBondContact O-NH2 3.06Å | ||
| 160 | S | 92.6 | Very high | 93 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 6% | 0.056 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -138.2 | 162.8 | 171.3 | -166.1 | 0 | 0 | 0 | 0 | 111.5 | Y18 T76 V162 D163 | Y18-S160 WeakPolarHBondContact OH-CA 3.32Å; Y18-S160 PolarHBondContact OH-N 3.18Å; T76-S160 WeakPolarHBondContact O-CB 3.49Å; T76-S160 PolarHBondContact O-OG 2.89Å; S160-V162 PolarHBondContact O-N 2.69Å; S160-D163 PolarHBondContact N-OD2 2.99Å; S160-D163 WeakPolarHBondContact O-CB 3.49Å; S160-D163 PolarHBondContact O-N 3.02Å; S160-D163 VanDerWaalsContact O-N 3.14Å |
| 161 | W | 95.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -64.4 | -24.6 | 176.6 | 55.9 | -101.4 | 0 | 0 | 0 | 112.9 | N17 Y18 T21 D72 L77 L80 D163 F164 L165 Y169 L174 | N17-W161 VanDerWaalsContact CB-CD1 3.48Å; N17-W161 HydrophobicContact CB-CD2 3.87Å; N17-W161 HydrophobicContact CB-CG 3.75Å; N17-W161 HydrophobicContact CB-CZ2 4.42Å; Y18-W161 HydrophobicContact CD1-CB 4.27Å; Y18-W161 HydrophobicContact CD2-CB 3.78Å; Y18-W161 HydrophobicContact CD2-CG 4.38Å; Y18-W161 HydrophobicContact CE2-CB 4.11Å; Y18-W161 HydrophobicContact CG-CB 3.86Å; T21-W161 WeakPolarHBondContact CG2-O 3.26Å; D72-W161 PolarHBondContact OD2-NE1 3.35Å; L77-W161 HydrophobicContact CD2-CH2 3.53Å; L77-W161 HydrophobicContact CD2-CZ2 3.58Å; L80-W161 HydrophobicContact CD2-CH2 4.35Å; L80-W161 HydrophobicContact CD2-CZ3 4.31Å; W161-D163 PolarHBondContact O-N 2.98Å; W161-F164 HydrophobicContact CB-CE1 4.36Å; W161-F164 HydrophobicContact CB-CZ 4.32Å; W161-L165 HydrophobicContact CZ3-CD2 4.1Å; W161-Y169 HydrophobicContact CH2-CE2 4.47Å; W161-Y169 AromaticContact CZ3-CE2 3.98Å; W161-Y169 HydrophobicContact CZ3-CE2 3.98Å; W161-L174 HydrophobicContact CH2-CD2 3.74Å |
| 162 | V | 94.2 | Very high | 93 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -67.9 | -22.5 | 174.4 | -66.7 | 0 | 0 | 0 | 0 | 113.3 | L77 L80 Q138 S160 F164 L165 | L77-V162 WeakPolarHBondContact O-CG2 3.23Å; L80-V162 HydrophobicContact CB-CG1 4.08Å; L80-V162 HydrophobicContact CD2-CG1 3.94Å; Q138-V162 VanDerWaalsContact CD-O 3.29Å; Q138-V162 PolarHBondContact NE2-O 3.42Å; Q138-V162 VanDerWaalsContact NE2-O 3.07Å; S160-V162 PolarHBondContact O-N 2.69Å; V162-F164 PolarHBondContact O-N 2.85Å; V162-F164 VanDerWaalsContact O-N 3.14Å; V162-L165 PolarHBondContact O-N 2.94Å |
| 163 | D | 94.6 | Very high | 93.1 | Very high | 13 Ų | 13 | 32.4 Ų | 32.4 | 7% | 0.07 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -68.2 | -18.1 | -173.9 | -70.4 | -36.9 | 0 | 0 | 0 | 112.7 | S135 Y137 Q138 A158 N159 S160 W161 | S135-D163 PolarHBondContact OG-O 2.93Å; Y137-D163 WeakPolarHBondContact CD1-O 3.41Å; Q138-D163 WeakPolarHBondContact CG-O 3.28Å; A158-D163 HydrophobicContact CB-CB 4.12Å; N159-D163 PolarHBondContact N-OD2 2.88Å; S160-D163 PolarHBondContact N-OD2 2.99Å; S160-D163 WeakPolarHBondContact O-CB 3.49Å; S160-D163 PolarHBondContact O-N 3.02Å; S160-D163 VanDerWaalsContact O-N 3.14Å; W161-D163 PolarHBondContact O-N 2.98Å |
| 164 | F | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -129.9 | 15.9 | 179.9 | 66.1 | -89.3 | 0 | 0 | 0 | 112.6 | Y18 T21 H22 N25 L154 A158 W161 V162 Y166 Y328 P478 | Y18-F164 AromaticContact CD1-CE1 3.6Å; Y18-F164 HydrophobicContact CD1-CE1 3.6Å; Y18-F164 AromaticContact CD1-CZ 3.62Å; Y18-F164 HydrophobicContact CD1-CZ 3.62Å; Y18-F164 AromaticContact CE1-CE1 3.66Å; Y18-F164 HydrophobicContact CE1-CE1 3.66Å; Y18-F164 HydrophobicContact CE1-CZ 4.18Å; Y18-F164 HydrophobicContact CG-CZ 4.37Å; T21-F164 HydrophobicContact CG2-CD2 3.56Å; T21-F164 HydrophobicContact CG2-CE2 3.36Å; T21-F164 HydrophobicContact CG2-CG 4.4Å; T21-F164 HydrophobicContact CG2-CZ 4.1Å; H22-F164 AromaticContact CD2-CE2 3.45Å; H22-F164 VanDerWaalsContact CD2-CE2 3.45Å; H22-F164 WeakPolarHBondContact CD2-CE2 3.49Å; H22-F164 AromaticContact CD2-CZ 3.94Å; H22-F164 AromaticContact CE1-CD2 3.78Å; H22-F164 AromaticContact CE1-CE2 3.62Å; H22-F164 AromaticContact CG-CE2 3.8Å; H22-F164 AromaticContact ND1-CE2 3.91Å; H22-F164 AromaticContact NE2-CD2 3.92Å; H22-F164 AromaticContact NE2-CE2 3.34Å; H22-F164 VanDerWaalsContact NE2-CE2 3.34Å; H22-F164 WeakPolarHBondContact NE2-CE2 3.21Å; H22-F164 AromaticContact NE2-CZ 3.82Å; N25-F164 PolarHBondContact ND2-O 2.98Å; L154-F164 HydrophobicContact CD1-CB 4.24Å; L154-F164 HydrophobicContact CD2-CB 4.39Å; A158-F164 HydrophobicContact CB-CD1 3.89Å; A158-F164 HydrophobicContact CB-CE1 4.44Å; W161-F164 HydrophobicContact CB-CE1 4.36Å; W161-F164 HydrophobicContact CB-CZ 4.32Å; V162-F164 PolarHBondContact O-N 2.85Å; V162-F164 VanDerWaalsContact O-N 3.14Å; F164-Y166 PolarHBondContact O-N 2.76Å; F164-Y328 HydrophobicContact CB-CD2 4.32Å; F164-Y328 HydrophobicContact CB-CE2 4.09Å; F164-Y328 AromaticContact CD1-CD2 3.63Å; F164-Y328 HydrophobicContact CD1-CD2 3.63Å; F164-Y328 HydrophobicContact CD1-CE2 4.25Å; F164-Y328 AromaticContact CD2-CD2 3.95Å; F164-Y328 HydrophobicContact CD2-CD2 3.95Å; F164-Y328 HydrophobicContact CD2-CE2 4.04Å; F164-Y328 AromaticContact CE1-CD2 3.78Å; F164-Y328 HydrophobicContact CE1-CD2 3.78Å; F164-Y328 HydrophobicContact CE2-CD2 4.13Å; F164-Y328 AromaticContact CG-CD2 3.71Å; F164-Y328 HydrophobicContact CG-CD2 3.71Å; F164-Y328 AromaticContact CG-CE2 3.88Å; F164-Y328 HydrophobicContact CG-CE2 3.88Å; F164-Y328 HydrophobicContact CZ-CD2 4.05Å; F164-P478 HydrophobicContact CB-CB 4Å; F164-P478 VanDerWaalsContact O-CG 3.28Å; F164-P478 WeakPolarHBondContact O-CG 3.39Å |
| 165 | L | 95 | Very high | 93.1 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | trans | -72.7 | 117.5 | 174.9 | 176.2 | 65.2 | 0 | 0 | 0 | 110.7 | T21 L80 Q138 L141 W161 V162 A167 Y169 | T21-L165 HydrophobicContact CG2-CB 3.89Å; T21-L165 HydrophobicContact CG2-CD1 3.79Å; T21-L165 HydrophobicContact CG2-CG 4.48Å; L80-L165 HydrophobicContact CD2-CD2 4.01Å; Q138-L165 PolarHBondContact NE2-O 3.33Å; L141-L165 WeakPolarHBondContact CD2-O 3.33Å; W161-L165 HydrophobicContact CZ3-CD2 4.1Å; V162-L165 PolarHBondContact O-N 2.94Å; L165-A167 HydrophobicContact CD1-CB 3.97Å; L165-A167 WeakPolarHBondContact CD1-O 3.24Å; L165-A167 WeakPolarHBondContact CD2-O 3.26Å; L165-A167 VanDerWaalsContact CG-O 3.26Å; L165-A167 WeakPolarHBondContact CG-O 3.41Å; L165-Y169 HydrophobicContact CD1-CE1 3.88Å; L165-Y169 HydrophobicContact CD1-CE2 4.33Å; L165-Y169 WeakPolarHBondContact CD1-OH 3.31Å; L165-Y169 HydrophobicContact CD2-CD2 4.23Å; L165-Y169 HydrophobicContact CD2-CE1 4.42Å; L165-Y169 HydrophobicContact CD2-CE2 3.86Å | ||
| 166 | Y | 92.4 | Very high | 92.9 | Very high | 92 Ų | 92 | 27.8 Ų | 27.8 | 36% | 0.361 | 15% | 0.153 | S | C | . | . | trans | -86.1 | -46.1 | 170.8 | -177.9 | -92.9 | 0 | 0 | 0 | 111 | N25 E28 L141 F164 | N25-Y166 VanDerWaalsContact OD1-CB 3.26Å; N25-Y166 WeakPolarHBondContact OD1-CB 3.49Å; N25-Y166 PolarHBondContact OD1-N 2.89Å; E28-Y166 HydrophobicContact CB-CD1 3.95Å; E28-Y166 HydrophobicContact CB-CE1 4.04Å; E28-Y166 HydrophobicContact CG-CD1 4.43Å; E28-Y166 WeakPolarHBondContact OE2-CD1 3.21Å; E28-Y166 WeakPolarHBondContact OE2-CE1 3.29Å; L141-Y166 HydrophobicContact CD1-CD2 3.49Å; L141-Y166 VanDerWaalsContact CD1-CD2 3.49Å; L141-Y166 HydrophobicContact CD1-CE2 3.55Å; L141-Y166 HydrophobicContact CD2-CD2 4.26Å; F164-Y166 PolarHBondContact O-N 2.76Å | ||
| 167 | A | 88.3 | Confident | 92.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -61.4 | 141.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | W24 E28 P66 L165 Y169 | W24-A167 HydrophobicContact CB-CB 3.91Å; E28-A167 HydrophobicContact CG-CB 4.39Å; E28-A167 WeakPolarHBondContact OE1-CA 3.24Å; E28-A167 WeakPolarHBondContact OE1-CB 3.21Å; P66-A167 HydrophobicContact CG-CB 4.42Å; L165-A167 HydrophobicContact CD1-CB 3.97Å; L165-A167 WeakPolarHBondContact CD1-O 3.24Å; L165-A167 WeakPolarHBondContact CD2-O 3.26Å; L165-A167 VanDerWaalsContact CG-O 3.26Å; L165-A167 WeakPolarHBondContact CG-O 3.41Å; A167-Y169 HydrophobicContact CB-CD1 4.46Å; A167-Y169 HydrophobicContact CB-CE1 3.99Å |
| 168 | R | 89.3 | Confident | 92.6 | Very high | 53 Ų | 53 | 25.1 Ų | 25.1 | 20% | 0.2 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -96.9 | 130.7 | 174.4 | -57.2 | -55 | 179.5 | 179.1 | 5.5 | 110.2 | T65 P66 E85 L86 | T65-R168 WeakPolarHBondContact CG2-O 3.43Å; P66-R168 WeakPolarHBondContact CD-O 3.42Å; E85-R168 IonicContact OE2-CZ 2.67Å; E85-R168 VanDerWaalsContact OE2-CZ 3.28Å; E85-R168 IonicContact OE2-NE 2.97Å; E85-R168 IonicContact OE2-NH1 3.09Å; E85-R168 PolarHBondContact OE2-NH1 3.28Å; E85-R168 IonicContact OE2-NH2 3.99Å; L86-R168 HydrophobicContact CD1-CB 3.76Å; L86-R168 HydrophobicContact CD2-CB 3.87Å; L86-R168 HydrophobicContact CD2-CG 4.28Å; L86-R168 HydrophobicContact CG-CB 3.91Å |
| 169 | Y | 91.3 | Very high | 92.2 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 2% | 0.02 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -97.6 | 149.1 | -174.3 | -67.1 | -12.3 | 0 | 0 | 0 | 112.4 | W24 P66 L68 W161 L165 A167 T173 L174 | W24-Y169 VanDerWaalsContact CD1-OH 3.23Å; P66-Y169 HydrophobicContact CG-CD1 4.04Å; P66-Y169 HydrophobicContact CG-CE1 4.02Å; L68-Y169 HydrophobicContact CD2-CE1 4Å; L68-Y169 HydrophobicContact CD2-CE2 4.03Å; W161-Y169 HydrophobicContact CH2-CE2 4.47Å; W161-Y169 AromaticContact CZ3-CE2 3.98Å; W161-Y169 HydrophobicContact CZ3-CE2 3.98Å; L165-Y169 HydrophobicContact CD1-CE1 3.88Å; L165-Y169 HydrophobicContact CD1-CE2 4.33Å; L165-Y169 WeakPolarHBondContact CD1-OH 3.31Å; L165-Y169 HydrophobicContact CD2-CD2 4.23Å; L165-Y169 HydrophobicContact CD2-CE1 4.42Å; L165-Y169 HydrophobicContact CD2-CE2 3.86Å; A167-Y169 HydrophobicContact CB-CD1 4.46Å; A167-Y169 HydrophobicContact CB-CE1 3.99Å; Y169-T173 HydrophobicContact CD1-CG2 4.44Å; Y169-T173 HydrophobicContact CD2-CG2 3.7Å; Y169-T173 HydrophobicContact CE2-CG2 4.32Å; Y169-T173 HydrophobicContact CG-CG2 3.77Å; Y169-L174 HydrophobicContact CD2-CD1 4.44Å; Y169-L174 HydrophobicContact CD2-CD2 3.74Å; Y169-L174 HydrophobicContact CD2-CG 4.14Å; Y169-L174 HydrophobicContact CE2-CD2 4.1Å |
| 170 | H | 92.4 | Very high | 92.3 | Very high | 14 Ų | 14 | 24.8 Ų | 24.8 | 7% | 0.065 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -73.1 | 150.9 | 172.9 | -176.8 | -93.3 | 0 | 0 | 0 | 110.4 | R53 T65 Y87 R172 T173 Y215 | R53-H170 PolarHBondContact NH1-CD2 3.17Å; R53-H170 PolarHBondContact NH1-CE1 2.72Å; R53-H170 PolarHBondContact NH1-NE2 3.44Å; T65-H170 HydrophobicContact CG2-CB 4.35Å; Y87-H170 AromaticContact CE2-CD2 3.74Å; Y87-H170 AromaticContact CZ-CD2 3.7Å; Y87-H170 AromaticContact CZ-NE2 3.8Å; Y87-H170 PolarHBondContact OH-CD2 3.08Å; H170-R172 PolarHBondContact CE1-NE 3.01Å; H170-R172 PolarHBondContact ND1-N 3.46Å; H170-R172 PolarHBondContact O-N 2.94Å; H170-T173 WeakPolarHBondContact O-CB 3.26Å; H170-T173 PolarHBondContact O-N 3.11Å; H170-T173 PolarHBondContact O-OG1 2.84Å; H170-Y215 WeakPolarHBondContact CB-OH 3.34Å; H170-Y215 PolarHBondContact ND1-OH 3.35Å |
| 171 | P | 89.6 | Confident | 92.2 | Very high | 31 Ų | 31 | 30.3 Ų | 30.3 | 20% | 0.201 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -25 | -177.7 | -27 | 33.2 | 0 | 0 | 0 | 115.7 | T83 Y87 T173 | T83-P171 VanDerWaalsContact O-CA 3.24Å; T83-P171 WeakPolarHBondContact O-CA 3.2Å; T83-P171 VanDerWaalsContact O-CB 3.26Å; T83-P171 WeakPolarHBondContact O-CB 3.44Å; T83-P171 VanDerWaalsContact O-CG 3.31Å; T83-P171 WeakPolarHBondContact O-CG 3.18Å; Y87-P171 HydrophobicContact CD1-CG 4.37Å; Y87-P171 HydrophobicContact CD2-CG 3.33Å; Y87-P171 VanDerWaalsContact CE2-CD 3.42Å; Y87-P171 HydrophobicContact CE2-CG 3.96Å; Y87-P171 HydrophobicContact CG-CG 3.61Å; P171-T173 VanDerWaalsContact C-N 3.34Å |
| 172 | R | 92 | Very high | 91.9 | Very high | 44 Ų | 44 | 32.9 Ų | 32.9 | 17% | 0.166 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -15.1 | 175.9 | -65.3 | -173 | -58.2 | -131.4 | 1.2 | 113.9 | R53 L69 H170 R211 Y215 E218 | R53-R172 VanDerWaalsContact NH1-NH2 3.11Å; L69-R172 WeakPolarHBondContact CD2-O 3.47Å; H170-R172 PolarHBondContact CE1-NE 3.01Å; H170-R172 PolarHBondContact ND1-N 3.46Å; H170-R172 PolarHBondContact O-N 2.94Å; R172-R211 HydrophobicContact CB-CG 4.38Å; R172-R211 PolarHBondContact O-NH1 3.49Å; R172-Y215 HydrophobicContact CB-CE2 4.02Å; R172-E218 IonicContact CZ-OE1 3.28Å; R172-E218 IonicContact NH1-OE1 3.87Å; R172-E218 PolarHBondContact NH1-OE1 2.91Å; R172-E218 IonicContact NH2-OE1 3.95Å; R172-E218 PolarHBondContact NH2-OE1 2.8Å; R172-E218 IonicContact NH2-OE2 3.98Å; R172-E218 PolarHBondContact NH2-OE2 2.79Å |
| 173 | T | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -41 | -169.3 | -72.2 | 0 | 0 | 0 | 0 | 112.9 | L68 S70 Y169 H170 P171 N175 Y215 | L68-T173 HydrophobicContact CB-CG2 3.95Å; L68-T173 HydrophobicContact CD2-CG2 3.62Å; L68-T173 HydrophobicContact CG-CG2 3.68Å; L68-T173 VanDerWaalsContact O-CA 3.28Å; L68-T173 WeakPolarHBondContact O-CA 3.27Å; L68-T173 WeakPolarHBondContact O-CB 3.28Å; L68-T173 WeakPolarHBondContact O-CG2 3.42Å; L68-T173 PolarHBondContact O-OG1 3.02Å; S70-T173 PolarHBondContact N-O 3.19Å; Y169-T173 HydrophobicContact CD1-CG2 4.44Å; Y169-T173 HydrophobicContact CD2-CG2 3.7Å; Y169-T173 HydrophobicContact CE2-CG2 4.32Å; Y169-T173 HydrophobicContact CG-CG2 3.77Å; H170-T173 WeakPolarHBondContact O-CB 3.26Å; H170-T173 PolarHBondContact O-N 3.11Å; H170-T173 PolarHBondContact O-OG1 2.84Å; P171-T173 VanDerWaalsContact C-N 3.34Å; T173-N175 PolarHBondContact O-ND2 3.23Å; T173-Y215 PolarHBondContact OG1-OH 2.88Å; T173-Y215 VanDerWaalsContact OG1-OH 3.04Å |
| 174 | L | 94.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 124.8 | -172.5 | -61.3 | 173.3 | 0 | 0 | 0 | 111 | L77 L80 W161 Y169 R211 | L77-L174 HydrophobicContact CD1-CD1 4.45Å; L77-L174 HydrophobicContact CD2-CD1 3.94Å; L77-L174 HydrophobicContact CD2-CD2 4.15Å; L80-L174 HydrophobicContact CD2-CD1 3.62Å; L80-L174 HydrophobicContact CG-CD1 4.13Å; W161-L174 HydrophobicContact CH2-CD2 3.74Å; Y169-L174 HydrophobicContact CD2-CD1 4.44Å; Y169-L174 HydrophobicContact CD2-CD2 3.74Å; Y169-L174 HydrophobicContact CD2-CG 4.14Å; Y169-L174 HydrophobicContact CE2-CD2 4.1Å; L174-R211 PolarHBondContact O-NH1 3.33Å |
| 175 | N | 95 | Very high | 90.6 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 6% | 0.059 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 108.9 | 179.3 | -56.4 | -97.8 | 0 | 0 | 0 | 107.6 | S70 V71 D72 T173 F208 R211 | S70-N175 WeakPolarHBondContact O-CB 3.47Å; S70-N175 PolarHBondContact O-N 2.88Å; S70-N175 PolarHBondContact O-ND2 3.38Å; V71-N175 VanDerWaalsContact CA-O 3.26Å; V71-N175 WeakPolarHBondContact CA-O 3.35Å; V71-N175 HydrophobicContact CG2-CB 4.09Å; D72-N175 PolarHBondContact N-O 2.76Å; T173-N175 PolarHBondContact O-ND2 3.23Å; N175-F208 HydrophobicContact CB-CD2 4.25Å; N175-F208 HydrophobicContact CB-CE2 4.27Å; N175-F208 WeakPolarHBondContact OD1-CD2 3.25Å; N175-R211 WeakPolarHBondContact OD1-CD 3.48Å; N175-R211 VanDerWaalsContact OD1-CZ 3.27Å; N175-R211 PolarHBondContact OD1-NE 3.33Å; N175-R211 PolarHBondContact OD1-NH1 3.31Å |
| 176 | V | 93.3 | Very high | 90.4 | Very high | 40 Ų | 40 | 45.4 Ų | 45.4 | 24% | 0.242 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125 | 179.9 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | D72 S74 L77 V82 | D72-V176 WeakPolarHBondContact O-CA 3.42Å; S74-V176 VanDerWaalsContact OG-CG1 3.23Å; S74-V176 WeakPolarHBondContact OG-CG1 3.46Å; L77-V176 HydrophobicContact CD1-CG2 3.73Å; L77-V176 HydrophobicContact CG-CG2 4.3Å; V82-V176 HydrophobicContact CG2-CG2 4.24Å |
| 177 | L | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 126.6 | 179.2 | -65.5 | -177.6 | 0 | 0 | 0 | 110.7 | V71 D72 L73 L180 L189 M198 F204 F235 L238 | V71-L177 HydrophobicContact CG1-CD1 4.28Å; V71-L177 HydrophobicContact CG1-CD2 3.61Å; V71-L177 HydrophobicContact CG1-CG 3.74Å; D72-L177 PolarHBondContact O-N 3.06Å; L73-L177 HydrophobicContact CD2-CD1 4.27Å; L177-L180 HydrophobicContact CB-CD1 4.31Å; L177-L180 HydrophobicContact CD1-CD1 4.24Å; L177-L189 HydrophobicContact CD1-CD2 3.9Å; L177-M198 HydrophobicContact CB-CE 4.27Å; L177-M198 HydrophobicContact CD2-CE 4.07Å; L177-F204 HydrophobicContact CD2-CD2 3.88Å; L177-F204 HydrophobicContact CD2-CE2 3.47Å; L177-F204 VanDerWaalsContact CD2-CE2 3.47Å; L177-F204 HydrophobicContact CD2-CZ 3.95Å; L177-F235 HydrophobicContact CD1-CE1 3.81Å; L177-F235 HydrophobicContact CD1-CZ 4.22Å; L177-L238 HydrophobicContact CD1-CD2 4.18Å; L177-L238 HydrophobicContact CD2-CD2 4.09Å |
| 178 | P | 85.9 | Confident | 90.6 | Very high | 80 Ų | 80 | 43.8 Ų | 43.8 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 141.4 | -177.4 | 28.5 | -34.5 | 0 | 0 | 0 | 111.1 | L180 M198 | P178-L180 PolarHBondContact O-N 2.91Å; P178-L180 VanDerWaalsContact O-N 3.14Å; P178-M198 HydrophobicContact CG-CE 4.35Å |
| 179 | G | 86.5 | Confident | 90.8 | Very high | 80 Ų | 80 | 41.6 Ų | 41.6 | 83% | 0.825 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 75.6 | -7.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 180 | L | 90.6 | Very high | 90.9 | Very high | 40 Ų | 40 | 41.8 Ų | 41.8 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 118.9 | 179.7 | -61.8 | 172.7 | 0 | 0 | 0 | 111 | L73 S74 L177 P178 L189 M198 | L73-L180 HydrophobicContact CD2-CB 3.86Å; L73-L180 HydrophobicContact CD2-CD1 4.39Å; S74-L180 VanDerWaalsContact CB-O 3.28Å; S74-L180 WeakPolarHBondContact CB-O 3.18Å; S74-L180 PolarHBondContact N-O 3.48Å; S74-L180 PolarHBondContact OG-O 2.88Å; L177-L180 HydrophobicContact CB-CD1 4.31Å; L177-L180 HydrophobicContact CD1-CD1 4.24Å; P178-L180 PolarHBondContact O-N 2.91Å; P178-L180 VanDerWaalsContact O-N 3.14Å; L180-L189 HydrophobicContact CD1-CB 4.26Å; L180-L189 HydrophobicContact CD1-CD1 3.85Å; L180-M198 HydrophobicContact CD1-CE 4.49Å; L180-M198 HydrophobicContact CD1-CG 4.41Å; L180-M198 HydrophobicContact CD1-SD 4.1Å |
| 181 | I | 90.8 | Very high | 91.1 | Very high | 125 Ų | 125 | 41.5 Ų | 41.5 | 64% | 0.641 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 135 | 179.7 | -59.8 | 169.2 | 0 | 0 | 0 | 108.9 | S74 D183 A188 | S74-I181 WeakPolarHBondContact O-CA 3.35Å; I181-D183 PolarHBondContact O-N 3.38Å; I181-A188 WeakPolarHBondContact O-CB 3.21Å |
| 182 | R | 90.3 | Very high | 91.5 | Very high | 54 Ų | 54 | 41 Ų | 41 | 20% | 0.204 | 25% | 0.251 | C | S | . | . | trans | -58.5 | 125 | 174.7 | -179.8 | -171.8 | 174.8 | -152.8 | 6.6 | 110.2 | L73 S74 T76 N159 | L73-R182 HydrophobicContact CB-CB 4.06Å; L73-R182 HydrophobicContact CD1-CB 4.33Å; S74-R182 PolarHBondContact O-N 3.46Å; T76-R182 HydrophobicContact CG2-CB 4.07Å; T76-R182 HydrophobicContact CG2-CG 4.26Å; N159-R182 PolarHBondContact O-NH1 2.66Å; N159-R182 PolarHBondContact O-NH2 3.06Å | ||
| 183 | D | 88.1 | Confident | 91.7 | Very high | 72 Ų | 72 | 39.6 Ų | 39.6 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | trans | -108.7 | 119.5 | 165.9 | -176.8 | -17.8 | 0 | 0 | 0 | 108.5 | I181 T185 A186 | I181-D183 PolarHBondContact O-N 3.38Å; D183-T185 VanDerWaalsContact CG-OG1 3.29Å; D183-T185 PolarHBondContact O-N 3.03Å; D183-T185 WeakPolarHBondContact OD1-CA 3.4Å; D183-T185 WeakPolarHBondContact OD1-CB 3.3Å; D183-T185 PolarHBondContact OD1-N 2.95Å; D183-T185 PolarHBondContact OD1-OG1 3.45Å; D183-T185 PolarHBondContact OD2-OG1 2.85Å; D183-A186 WeakPolarHBondContact CB-O 3.42Å | ||
| 184 | P | 84.1 | Confident | 91.7 | Very high | 89 Ų | 89 | 40.6 Ų | 40.6 | 58% | 0.578 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -61.3 | -20.8 | 176.7 | -23.4 | 34.1 | 0 | 0 | 0 | 114.1 | ||
| 185 | T | 85.2 | Confident | 91.8 | Very high | 103 Ų | 103 | 40.4 Ų | 40.4 | 63% | 0.632 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -95.5 | -29.9 | -173.2 | 72 | 0 | 0 | 0 | 0 | 113.2 | D183 S266 | D183-T185 VanDerWaalsContact CG-OG1 3.29Å; D183-T185 PolarHBondContact O-N 3.03Å; D183-T185 WeakPolarHBondContact OD1-CA 3.4Å; D183-T185 WeakPolarHBondContact OD1-CB 3.3Å; D183-T185 PolarHBondContact OD1-N 2.95Å; D183-T185 PolarHBondContact OD1-OG1 3.45Å; D183-T185 PolarHBondContact OD2-OG1 2.85Å; T185-S266 WeakPolarHBondContact O-CB 3.48Å; T185-S266 PolarHBondContact O-OG 3.33Å |
| 186 | A | 89.4 | Confident | 91.9 | Very high | 17 Ų | 17 | 41 Ų | 41 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -143 | 148.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D183 A188 S266 | D183-A186 WeakPolarHBondContact CB-O 3.42Å; A186-A188 PolarHBondContact O-N 3.34Å; A186-S266 WeakPolarHBondContact CA-O 3.38Å; A186-S266 VanDerWaalsContact CA-OG 3.32Å; A186-S266 WeakPolarHBondContact CA-OG 3.37Å; A186-S266 WeakPolarHBondContact CB-OG 3.1Å |
| 187 | Q | 92.5 | Very high | 92 | Very high | 22 Ų | 22 | 43 Ų | 43 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | trans | -74.2 | 110.7 | 178.4 | -63.1 | -62.7 | 7.8 | 0 | 0 | 111.3 | D233 T265 S266 Y267 P268 | Q187-D233 HydrophobicContact CB-CB 4.2Å; Q187-D233 HydrophobicContact CG-CB 4.07Å; Q187-D233 PolarHBondContact OE1-OD2 3.35Å; Q187-T265 HydrophobicContact CG-CG2 4.3Å; Q187-S266 PolarHBondContact N-O 2.84Å; Q187-Y267 HydrophobicContact CB-CD1 4.09Å; Q187-Y267 HydrophobicContact CB-CE1 4.16Å; Q187-Y267 HydrophobicContact CG-CD1 4.49Å; Q187-Y267 HydrophobicContact CG-CE1 4.18Å; Q187-P268 WeakPolarHBondContact O-CD 3.33Å | ||
| 188 | A | 92.4 | Very high | 92.1 | Very high | 36 Ų | 36 | 44.4 Ų | 44.4 | 30% | 0.298 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -66.4 | -46.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | L73 I181 A186 G190 | L73-A188 HydrophobicContact CD1-CB 3.85Å; I181-A188 WeakPolarHBondContact O-CB 3.21Å; A186-A188 PolarHBondContact O-N 3.34Å; A188-G190 PolarHBondContact O-N 2.88Å |
| 189 | L | 94.4 | Very high | 92.6 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -93.6 | 76.2 | 170.3 | -172.7 | 68.5 | 0 | 0 | 0 | 108.4 | L73 L177 L180 A194 M198 D233 G234 F235 | L73-L189 HydrophobicContact CD2-CB 4.37Å; L177-L189 HydrophobicContact CD1-CD2 3.9Å; L180-L189 HydrophobicContact CD1-CB 4.26Å; L180-L189 HydrophobicContact CD1-CD1 3.85Å; L189-A194 HydrophobicContact CD1-CB 3.87Å; L189-M198 HydrophobicContact CD1-CG 3.84Å; L189-D233 WeakPolarHBondContact O-CB 3.35Å; L189-G234 WeakPolarHBondContact O-CA 3.33Å; L189-G234 PolarHBondContact O-N 3.33Å; L189-F235 HydrophobicContact CD2-CD1 4.23Å; L189-F235 HydrophobicContact CD2-CE1 4.33Å; L189-F235 HydrophobicContact CD2-CG 4.33Å; L189-F235 HydrophobicContact CD2-CZ 4.5Å |
| 190 | G | 93.7 | Very high | 93 | Very high | 10 Ų | 10 | 44 Ų | 44 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | trans | -80.3 | -25.5 | -163.2 | 0 | 0 | 0 | 0 | 0 | 117 | A188 Y267 N282 | A188-G190 PolarHBondContact O-N 2.88Å; G190-Y267 WeakPolarHBondContact O-CD1 3.42Å; G190-Y267 WeakPolarHBondContact O-CE1 3.44Å; G190-N282 PolarHBondContact O-ND2 2.81Å | ||
| 191 | T | 95.9 | Very high | 93.3 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 4% | 0.043 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -119.5 | 146.2 | -172 | 61.4 | 0 | 0 | 0 | 0 | 112.2 | S193 A194 G195 G234 I278 N282 A543 Y544 | T191-S193 VanDerWaalsContact C-N 3.28Å; T191-S193 PolarHBondContact O-N 3.41Å; T191-A194 WeakPolarHBondContact O-CB 3.29Å; T191-A194 PolarHBondContact O-N 3.37Å; T191-A194 VanDerWaalsContact O-N 3.12Å; T191-A194 VanDerWaalsContact OG1-CB 3.3Å; T191-A194 WeakPolarHBondContact OG1-CB 3.4Å; T191-A194 PolarHBondContact OG1-N 3.06Å; T191-G195 PolarHBondContact O-N 3.15Å; T191-G234 VanDerWaalsContact C-CA 3.43Å; T191-G234 WeakPolarHBondContact O-CA 3.46Å; T191-I278 HydrophobicContact CG2-CG2 4.2Å; T191-N282 WeakPolarHBondContact CA-OD1 3.36Å; T191-A543 HydrophobicContact CG2-CB 3.56Å; T191-Y544 HydrophobicContact CG2-CD1 4.35Å; T191-Y544 HydrophobicContact CG2-CD2 3.99Å; T191-Y544 HydrophobicContact CG2-CE1 4.32Å; T191-Y544 HydrophobicContact CG2-CE2 3.91Å; T191-Y544 HydrophobicContact CG2-CG 4.23Å |
| 192 | Y | 97 | Very high | 93.5 | Very high | 20 Ų | 20 | 45.7 Ų | 45.7 | 8% | 0.078 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -50.6 | -48.5 | 174.3 | -172.1 | -80 | 0 | 0 | 0 | 111.6 | A194 G195 T196 G236 G237 N282 L285 Q289 | Y192-A194 VanDerWaalsContact C-N 3.34Å; Y192-A194 PolarHBondContact O-N 3.04Å; Y192-G195 WeakPolarHBondContact O-CA 3.3Å; Y192-G195 PolarHBondContact O-N 3.09Å; Y192-T196 PolarHBondContact O-N 3.4Å; Y192-T196 PolarHBondContact O-OG1 2.71Å; Y192-G236 VanDerWaalsContact CE2-O 3.29Å; Y192-G236 WeakPolarHBondContact CE2-O 3.27Å; Y192-G237 VanDerWaalsContact CE2-CA 3.45Å; Y192-G237 VanDerWaalsContact CZ-CA 3.49Å; Y192-G237 WeakPolarHBondContact O-CA 3.39Å; Y192-N282 PolarHBondContact N-OD1 3.23Å; Y192-L285 HydrophobicContact CD1-CB 3.78Å; Y192-L285 HydrophobicContact CD1-CD1 3.92Å; Y192-L285 HydrophobicContact CD1-CG 4.45Å; Y192-L285 HydrophobicContact CD2-CB 3.71Å; Y192-L285 HydrophobicContact CE1-CB 4.09Å; Y192-L285 HydrophobicContact CE2-CB 4.03Å; Y192-L285 HydrophobicContact CG-CB 3.59Å; Y192-L285 HydrophobicContact CG-CD1 3.92Å; Y192-L285 HydrophobicContact CG-CG 4.42Å; Y192-Q289 WeakPolarHBondContact OH-CB 3.34Å; Y192-Q289 WeakPolarHBondContact OH-CG 3.32Å |
| 193 | S | 96.2 | Very high | 93.6 | Very high | 15 Ų | 15 | 47 Ų | 47 | 11% | 0.105 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 178.9 | -54.6 | 0 | 0 | 0 | 0 | 113 | T191 G195 T196 E197 S547 | T191-S193 VanDerWaalsContact C-N 3.28Å; T191-S193 PolarHBondContact O-N 3.41Å; S193-G195 VanDerWaalsContact C-N 3.25Å; S193-G195 PolarHBondContact O-N 3.5Å; S193-T196 WeakPolarHBondContact O-CB 3.38Å; S193-T196 PolarHBondContact O-N 2.89Å; S193-T196 VanDerWaalsContact O-N 3.09Å; S193-E197 WeakPolarHBondContact O-CG 3.21Å; S193-E197 PolarHBondContact O-N 3.43Å; S193-S547 WeakPolarHBondContact CB-OG 3.31Å |
| 194 | A | 95.3 | Very high | 94 | Very high | 21 Ų | 21 | 44.3 Ų | 44.3 | 17% | 0.174 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -34.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L189 T191 Y192 E197 M198 | L189-A194 HydrophobicContact CD1-CB 3.87Å; T191-A194 WeakPolarHBondContact O-CB 3.29Å; T191-A194 PolarHBondContact O-N 3.37Å; T191-A194 VanDerWaalsContact O-N 3.12Å; T191-A194 VanDerWaalsContact OG1-CB 3.3Å; T191-A194 WeakPolarHBondContact OG1-CB 3.4Å; T191-A194 PolarHBondContact OG1-N 3.06Å; Y192-A194 VanDerWaalsContact C-N 3.34Å; Y192-A194 PolarHBondContact O-N 3.04Å; A194-E197 PolarHBondContact O-N 2.8Å; A194-M198 VanDerWaalsContact O-CG 3.32Å; A194-M198 WeakPolarHBondContact O-CG 3.32Å; A194-M198 PolarHBondContact O-N 3.22Å |
| 195 | G | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.8 | -39.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T191 Y192 S193 M198 W199 G234 | T191-G195 PolarHBondContact O-N 3.15Å; Y192-G195 WeakPolarHBondContact O-CA 3.3Å; Y192-G195 PolarHBondContact O-N 3.09Å; S193-G195 VanDerWaalsContact C-N 3.25Å; S193-G195 PolarHBondContact O-N 3.5Å; G195-M198 PolarHBondContact O-N 2.95Å; G195-W199 PolarHBondContact O-N 3.38Å; G195-W199 VanDerWaalsContact O-N 3.15Å; G195-G234 WeakPolarHBondContact CA-O 3.47Å |
| 196 | T | 97.2 | Very high | 95.2 | Very high | 22 Ų | 22 | 43.4 Ų | 43.4 | 14% | 0.135 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.2 | -41.5 | 173.4 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | Y192 S193 W199 Q200 K241 | Y192-T196 PolarHBondContact O-N 3.4Å; Y192-T196 PolarHBondContact O-OG1 2.71Å; S193-T196 WeakPolarHBondContact O-CB 3.38Å; S193-T196 PolarHBondContact O-N 2.89Å; S193-T196 VanDerWaalsContact O-N 3.09Å; T196-W199 WeakPolarHBondContact O-CB 3.3Å; T196-W199 PolarHBondContact O-N 3.09Å; T196-Q200 WeakPolarHBondContact O-CG 3.47Å; T196-Q200 PolarHBondContact O-N 2.95Å; T196-Q200 VanDerWaalsContact O-N 3.14Å; T196-K241 HydrophobicContact CG2-CD 4.31Å; T196-K241 HydrophobicContact CG2-CG 3.86Å |
| 197 | E | 95.5 | Very high | 95.4 | Very high | 83 Ų | 83 | 47.6 Ų | 47.6 | 39% | 0.388 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 173.5 | -70.4 | 167.1 | -168.2 | 0 | 0 | 111 | S193 A194 W199 Q200 E201 S547 | S193-E197 WeakPolarHBondContact O-CG 3.21Å; S193-E197 PolarHBondContact O-N 3.43Å; A194-E197 PolarHBondContact O-N 2.8Å; E197-W199 PolarHBondContact O-N 3.43Å; E197-Q200 WeakPolarHBondContact O-CA 3.3Å; E197-Q200 WeakPolarHBondContact O-CB 3.32Å; E197-Q200 PolarHBondContact O-N 3.43Å; E197-E201 PolarHBondContact O-N 2.84Å; E197-E201 VanDerWaalsContact O-N 3.14Å; E197-S547 VanDerWaalsContact OE1-CA 3.26Å; E197-S547 WeakPolarHBondContact OE1-CA 3.07Å; E197-S547 VanDerWaalsContact OE1-CB 3.27Å; E197-S547 WeakPolarHBondContact OE1-CB 3.46Å |
| 198 | M | 95.1 | Very high | 95.7 | Very high | 29 Ų | 29 | 46.6 Ų | 46.6 | 14% | 0.143 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.7 | -35 | 174.7 | -72.4 | -55.2 | -55.5 | 0 | 0 | 112.9 | L177 P178 L180 L189 A194 G195 Q200 F204 | L177-M198 HydrophobicContact CB-CE 4.27Å; L177-M198 HydrophobicContact CD2-CE 4.07Å; P178-M198 HydrophobicContact CG-CE 4.35Å; L180-M198 HydrophobicContact CD1-CE 4.49Å; L180-M198 HydrophobicContact CD1-CG 4.41Å; L180-M198 HydrophobicContact CD1-SD 4.1Å; L189-M198 HydrophobicContact CD1-CG 3.84Å; A194-M198 VanDerWaalsContact O-CG 3.32Å; A194-M198 WeakPolarHBondContact O-CG 3.32Å; A194-M198 PolarHBondContact O-N 3.22Å; G195-M198 PolarHBondContact O-N 2.95Å; M198-Q200 VanDerWaalsContact C-N 3.33Å; M198-F204 WeakPolarHBondContact O-CD1 3.25Å |
| 199 | W | 97.2 | Very high | 96 | Very high | 23 Ų | 23 | 45.8 Ų | 45.8 | 9% | 0.087 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.2 | -31.3 | 173.5 | -179.4 | -91.7 | 0 | 0 | 0 | 112.8 | G195 T196 E197 E201 F204 N205 F208 L238 K241 C242 H245 | G195-W199 PolarHBondContact O-N 3.38Å; G195-W199 VanDerWaalsContact O-N 3.15Å; T196-W199 WeakPolarHBondContact O-CB 3.3Å; T196-W199 PolarHBondContact O-N 3.09Å; E197-W199 PolarHBondContact O-N 3.43Å; W199-E201 VanDerWaalsContact C-N 3.34Å; W199-F204 HydrophobicContact CE3-CE1 4.17Å; W199-N205 PolarHBondContact NE1-ND2 3.28Å; W199-N205 VanDerWaalsContact O-CB 3.3Å; W199-N205 WeakPolarHBondContact O-CB 3.43Å; W199-N205 PolarHBondContact O-ND2 3.11Å; W199-F208 HydrophobicContact CH2-CD1 4.16Å; W199-F208 AromaticContact CZ3-CD1 3.66Å; W199-F208 HydrophobicContact CZ3-CD1 3.66Å; W199-F208 HydrophobicContact CZ3-CE1 4.07Å; W199-L238 HydrophobicContact CB-CD1 3.82Å; W199-L238 HydrophobicContact CE3-CD1 3.89Å; W199-K241 HydrophobicContact CB-CB 3.82Å; W199-K241 HydrophobicContact CB-CG 4.21Å; W199-K241 VanDerWaalsContact CD1-CB 3.46Å; W199-K241 HydrophobicContact CD2-CB 3.69Å; W199-K241 HydrophobicContact CE3-CB 4.44Å; W199-K241 HydrophobicContact CG-CB 3.35Å; W199-K241 HydrophobicContact CG-CG 4.07Å; W199-C242 HydrophobicContact CE3-CB 4.29Å; W199-C242 HydrophobicContact CH2-CB 4.01Å; W199-C242 HydrophobicContact CZ3-CB 3.65Å; W199-H245 HydrophobicContact CH2-CB 4.12Å; W199-H245 HydrophobicContact CZ2-CB 3.62Å; W199-H245 AromaticContact CZ2-CG 3.97Å |
| 200 | Q | 95.7 | Very high | 96.2 | Very high | 128 Ų | 128 | 48.3 Ų | 48.3 | 60% | 0.598 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -79.1 | -18 | -178.7 | -70.1 | 171.4 | -11.2 | 0 | 0 | 113.1 | T196 E197 M198 V202 | T196-Q200 WeakPolarHBondContact O-CG 3.47Å; T196-Q200 PolarHBondContact O-N 2.95Å; T196-Q200 VanDerWaalsContact O-N 3.14Å; E197-Q200 WeakPolarHBondContact O-CA 3.3Å; E197-Q200 WeakPolarHBondContact O-CB 3.32Å; E197-Q200 PolarHBondContact O-N 3.43Å; M198-Q200 VanDerWaalsContact C-N 3.33Å; Q200-V202 PolarHBondContact O-N 3.32Å; Q200-V202 VanDerWaalsContact O-N 3.07Å |
| 201 | E | 95.9 | Very high | 96.4 | Very high | 110 Ų | 110 | 49.7 Ų | 49.7 | 51% | 0.514 | 26% | 0.257 | S | S | . | . | trans | -59.2 | 112.1 | 171.8 | -72.8 | -60.3 | 147.5 | 0 | 0 | 110.4 | E197 W199 S203 F204 N205 | E197-E201 PolarHBondContact O-N 2.84Å; E197-E201 VanDerWaalsContact O-N 3.14Å; W199-E201 VanDerWaalsContact C-N 3.34Å; E201-S203 VanDerWaalsContact C-N 3.26Å; E201-S203 PolarHBondContact O-N 2.79Å; E201-S203 VanDerWaalsContact O-N 3.15Å; E201-F204 HydrophobicContact CB-CB 4.35Å; E201-F204 PolarHBondContact O-N 3.41Å; E201-N205 WeakPolarHBondContact O-CB 3.48Å; E201-N205 PolarHBondContact O-N 3.13Å | ||
| 202 | V | 95.6 | Very high | 96.5 | Very high | 92 Ų | 92 | 49.3 Ų | 49.3 | 56% | 0.558 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -52.9 | -43.9 | -170.8 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | Q200 F204 N205 E206 | Q200-V202 PolarHBondContact O-N 3.32Å; Q200-V202 VanDerWaalsContact O-N 3.07Å; V202-F204 PolarHBondContact O-N 3.45Å; V202-N205 PolarHBondContact O-N 2.76Å; V202-E206 HydrophobicContact CG1-CG 4.08Å; V202-E206 WeakPolarHBondContact O-CB 3.37Å; V202-E206 WeakPolarHBondContact O-CG 3.32Å; V202-E206 PolarHBondContact O-N 3.27Å |
| 203 | S | 92.8 | Very high | 96.6 | Very high | 82 Ų | 82 | 54.2 Ų | 54.2 | 57% | 0.573 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.8 | -40.3 | -178.8 | 58 | 0 | 0 | 0 | 0 | 112.9 | E201 E207 | E201-S203 VanDerWaalsContact C-N 3.26Å; E201-S203 PolarHBondContact O-N 2.79Å; E201-S203 VanDerWaalsContact O-N 3.15Å; S203-E207 WeakPolarHBondContact O-CB 3.42Å; S203-E207 PolarHBondContact O-N 3.45Å |
| 204 | F | 95 | Very high | 96.6 | Very high | 14 Ų | 14 | 55.9 Ų | 55.9 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.6 | -45.2 | 177.8 | 174.2 | -92.6 | 0 | 0 | 0 | 110.1 | V71 L177 M198 W199 E201 V202 F208 L238 | V71-F204 HydrophobicContact CG1-CE2 4.42Å; V71-F204 HydrophobicContact CG1-CZ 4.39Å; V71-F204 HydrophobicContact CG2-CZ 4.46Å; L177-F204 HydrophobicContact CD2-CD2 3.88Å; L177-F204 HydrophobicContact CD2-CE2 3.47Å; L177-F204 VanDerWaalsContact CD2-CE2 3.47Å; L177-F204 HydrophobicContact CD2-CZ 3.95Å; M198-F204 WeakPolarHBondContact O-CD1 3.25Å; W199-F204 HydrophobicContact CE3-CE1 4.17Å; E201-F204 HydrophobicContact CB-CB 4.35Å; E201-F204 PolarHBondContact O-N 3.41Å; V202-F204 PolarHBondContact O-N 3.45Å; F204-F208 HydrophobicContact CE1-CB 4.18Å; F204-F208 HydrophobicContact CE1-CG 4.32Å; F204-F208 HydrophobicContact CE2-CD2 4.43Å; F204-F208 HydrophobicContact CZ-CB 4.15Å; F204-F208 HydrophobicContact CZ-CD2 4.05Å; F204-F208 HydrophobicContact CZ-CG 4.03Å; F204-F208 WeakPolarHBondContact O-CB 3.46Å; F204-F208 PolarHBondContact O-N 2.95Å; F204-L238 HydrophobicContact CE1-CD1 3.7Å; F204-L238 HydrophobicContact CZ-CD1 4.18Å; F204-L238 HydrophobicContact CZ-CD2 4.29Å |
| 205 | N | 97 | Very high | 96.7 | Very high | 44 Ų | 44 | 55 Ų | 55 | 24% | 0.235 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.8 | -54.2 | -177.8 | -169.7 | -95.6 | 0 | 0 | 0 | 112.5 | W199 E201 V202 E207 F208 C209 | W199-N205 PolarHBondContact NE1-ND2 3.28Å; W199-N205 VanDerWaalsContact O-CB 3.3Å; W199-N205 WeakPolarHBondContact O-CB 3.43Å; W199-N205 PolarHBondContact O-ND2 3.11Å; E201-N205 WeakPolarHBondContact O-CB 3.48Å; E201-N205 PolarHBondContact O-N 3.13Å; V202-N205 PolarHBondContact O-N 2.76Å; N205-E207 PolarHBondContact O-N 3.1Å; N205-F208 PolarHBondContact O-N 2.95Å; N205-C209 VanDerWaalsContact O-CB 3.29Å; N205-C209 WeakPolarHBondContact O-CB 3.19Å; N205-C209 PolarHBondContact O-N 3.39Å; N205-C209 PolarHBondContact O-SG 3.22Å |
| 206 | E | 97.6 | Very high | 96.8 | Very high | 129 Ų | 129 | 56.1 Ų | 56.1 | 60% | 0.603 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.7 | -44.1 | -176.9 | -71.5 | -175.1 | 163.4 | 0 | 0 | 111.1 | V202 D210 | V202-E206 HydrophobicContact CG1-CG 4.08Å; V202-E206 WeakPolarHBondContact O-CB 3.37Å; V202-E206 WeakPolarHBondContact O-CG 3.32Å; V202-E206 PolarHBondContact O-N 3.27Å; E206-D210 WeakPolarHBondContact O-CB 3.36Å; E206-D210 PolarHBondContact O-N 2.8Å |
| 207 | E | 95.4 | Very high | 96.7 | Very high | 106 Ų | 106 | 61.4 Ų | 61.4 | 50% | 0.495 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 179.3 | -177.1 | 173.2 | -167.8 | 0 | 0 | 111.8 | S203 N205 D210 R211 | S203-E207 WeakPolarHBondContact O-CB 3.42Å; S203-E207 PolarHBondContact O-N 3.45Å; N205-E207 PolarHBondContact O-N 3.1Å; E207-D210 PolarHBondContact O-N 2.89Å; E207-R211 VanDerWaalsContact O-CG 3.26Å; E207-R211 WeakPolarHBondContact O-CG 3.48Å; E207-R211 PolarHBondContact O-N 3.1Å; E207-R211 IonicContact OE1-CZ 3.01Å; E207-R211 IonicContact OE1-NE 2.92Å; E207-R211 PolarHBondContact OE1-NE 3.15Å; E207-R211 IonicContact OE1-NH2 2.69Å; E207-R211 PolarHBondContact OE1-NH2 2.85Å |
| 208 | F | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 0% | 0.004 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.4 | -44.3 | 180 | -164.3 | -103.6 | 0 | 0 | 0 | 111.4 | F10 F12 L69 V71 N175 W199 F204 N205 D210 R211 I212 | F10-F208 HydrophobicContact CD1-CE1 4.31Å; F10-F208 HydrophobicContact CD1-CZ 4.08Å; F10-F208 HydrophobicContact CE1-CE1 4.18Å; F10-F208 HydrophobicContact CE1-CZ 4.25Å; F12-F208 HydrophobicContact CE1-CE1 4.03Å; F12-F208 AromaticContact CE1-CZ 3.78Å; F12-F208 HydrophobicContact CE1-CZ 3.78Å; F12-F208 AromaticContact CZ-CE1 3.92Å; F12-F208 HydrophobicContact CZ-CE1 3.92Å; F12-F208 AromaticContact CZ-CZ 3.83Å; F12-F208 HydrophobicContact CZ-CZ 3.83Å; L69-F208 HydrophobicContact CB-CE2 4.14Å; L69-F208 HydrophobicContact CB-CZ 4.07Å; L69-F208 HydrophobicContact CD1-CZ 4.35Å; V71-F208 HydrophobicContact CG2-CD2 4.26Å; V71-F208 HydrophobicContact CG2-CE2 3.42Å; V71-F208 VanDerWaalsContact CG2-CE2 3.42Å; V71-F208 HydrophobicContact CG2-CZ 3.75Å; N175-F208 HydrophobicContact CB-CD2 4.25Å; N175-F208 HydrophobicContact CB-CE2 4.27Å; N175-F208 WeakPolarHBondContact OD1-CD2 3.25Å; W199-F208 HydrophobicContact CH2-CD1 4.16Å; W199-F208 AromaticContact CZ3-CD1 3.66Å; W199-F208 HydrophobicContact CZ3-CD1 3.66Å; W199-F208 HydrophobicContact CZ3-CE1 4.07Å; F204-F208 HydrophobicContact CE1-CB 4.18Å; F204-F208 HydrophobicContact CE1-CG 4.32Å; F204-F208 HydrophobicContact CE2-CD2 4.43Å; F204-F208 HydrophobicContact CZ-CB 4.15Å; F204-F208 HydrophobicContact CZ-CD2 4.05Å; F204-F208 HydrophobicContact CZ-CG 4.03Å; F204-F208 WeakPolarHBondContact O-CB 3.46Å; F204-F208 PolarHBondContact O-N 2.95Å; N205-F208 PolarHBondContact O-N 2.95Å; F208-D210 VanDerWaalsContact C-N 3.34Å; F208-D210 PolarHBondContact O-N 2.97Å; F208-R211 WeakPolarHBondContact O-CB 3.14Å; F208-R211 PolarHBondContact O-N 2.88Å; F208-I212 HydrophobicContact CD1-CD1 3.77Å; F208-I212 HydrophobicContact CD1-CG1 4.27Å; F208-I212 HydrophobicContact CE1-CD1 3.78Å; F208-I212 HydrophobicContact CE1-CG1 4.23Å; F208-I212 WeakPolarHBondContact O-CG1 3.45Å; F208-I212 PolarHBondContact O-N 3.42Å |
| 209 | C | 98.5 | Very high | 96.6 | Very high | 19 Ų | 19 | 60 Ų | 60 | 13% | 0.128 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 176.8 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | N205 I212 R213 | N205-C209 VanDerWaalsContact O-CB 3.29Å; N205-C209 WeakPolarHBondContact O-CB 3.19Å; N205-C209 PolarHBondContact O-N 3.39Å; N205-C209 PolarHBondContact O-SG 3.22Å; C209-I212 WeakPolarHBondContact O-CB 3.35Å; C209-I212 PolarHBondContact O-N 2.93Å; C209-R213 PolarHBondContact O-N 3.14Å |
| 210 | D | 98.3 | Very high | 96.4 | Very high | 60 Ų | 60 | 65.5 Ų | 65.5 | 32% | 0.321 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 173.3 | -173.4 | 61.9 | 0 | 0 | 0 | 111.5 | E206 E207 F208 I212 R213 L214 | E206-D210 WeakPolarHBondContact O-CB 3.36Å; E206-D210 PolarHBondContact O-N 2.8Å; E207-D210 PolarHBondContact O-N 2.89Å; F208-D210 VanDerWaalsContact C-N 3.34Å; F208-D210 PolarHBondContact O-N 2.97Å; D210-I212 VanDerWaalsContact C-N 3.32Å; D210-I212 PolarHBondContact O-N 3.32Å; D210-R213 PolarHBondContact O-N 3.41Å; D210-R213 IonicContact OD1-CZ 2.84Å; D210-R213 IonicContact OD1-NE 3.7Å; D210-R213 IonicContact OD1-NH2 3.75Å; D210-R213 PolarHBondContact OD1-NH2 2.82Å; D210-L214 WeakPolarHBondContact O-CB 3.2Å; D210-L214 VanDerWaalsContact O-CG 3.27Å; D210-L214 WeakPolarHBondContact O-CG 3.5Å; D210-L214 PolarHBondContact O-N 2.77Å |
| 211 | R | 97.9 | Very high | 96.2 | Very high | 38 Ų | 38 | 60.3 Ų | 60.3 | 14% | 0.143 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63 | -36.6 | 175.7 | -67.5 | 169.8 | -174.9 | -147.8 | 0.3 | 112.4 | L69 R172 L174 N175 E207 F208 Y215 | L69-R211 HydrophobicContact CD1-CB 4.48Å; L69-R211 HydrophobicContact CD2-CB 3.89Å; R172-R211 HydrophobicContact CB-CG 4.38Å; R172-R211 PolarHBondContact O-NH1 3.49Å; L174-R211 PolarHBondContact O-NH1 3.33Å; N175-R211 WeakPolarHBondContact OD1-CD 3.48Å; N175-R211 VanDerWaalsContact OD1-CZ 3.27Å; N175-R211 PolarHBondContact OD1-NE 3.33Å; N175-R211 PolarHBondContact OD1-NH1 3.31Å; E207-R211 VanDerWaalsContact O-CG 3.26Å; E207-R211 WeakPolarHBondContact O-CG 3.48Å; E207-R211 PolarHBondContact O-N 3.1Å; E207-R211 IonicContact OE1-CZ 3.01Å; E207-R211 IonicContact OE1-NE 2.92Å; E207-R211 PolarHBondContact OE1-NE 3.15Å; E207-R211 IonicContact OE1-NH2 2.69Å; E207-R211 PolarHBondContact OE1-NH2 2.85Å; F208-R211 WeakPolarHBondContact O-CB 3.14Å; F208-R211 PolarHBondContact O-N 2.88Å; R211-Y215 WeakPolarHBondContact O-CD2 3.28Å; R211-Y215 PolarHBondContact O-N 3.24Å |
| 212 | I | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.7 | -55.8 | 172 | -64.9 | 170.9 | 0 | 0 | 0 | 109.6 | L8 F10 L69 F208 C209 D210 L214 Y215 V216 L246 Y250 | L8-I212 HydrophobicContact CD2-CG2 4.27Å; F10-I212 HydrophobicContact CE1-CD1 3.89Å; F10-I212 HydrophobicContact CE1-CG1 3.73Å; F10-I212 HydrophobicContact CZ-CD1 4.23Å; F10-I212 HydrophobicContact CZ-CG1 4Å; F10-I212 HydrophobicContact CZ-CG2 4.26Å; L69-I212 HydrophobicContact CD1-CB 4.26Å; L69-I212 HydrophobicContact CD1-CG1 3.49Å; L69-I212 VanDerWaalsContact CD1-CG1 3.49Å; F208-I212 HydrophobicContact CD1-CD1 3.77Å; F208-I212 HydrophobicContact CD1-CG1 4.27Å; F208-I212 HydrophobicContact CE1-CD1 3.78Å; F208-I212 HydrophobicContact CE1-CG1 4.23Å; F208-I212 WeakPolarHBondContact O-CG1 3.45Å; F208-I212 PolarHBondContact O-N 3.42Å; C209-I212 WeakPolarHBondContact O-CB 3.35Å; C209-I212 PolarHBondContact O-N 2.93Å; D210-I212 VanDerWaalsContact C-N 3.32Å; D210-I212 PolarHBondContact O-N 3.32Å; I212-L214 VanDerWaalsContact C-N 3.27Å; I212-L214 PolarHBondContact O-N 3.43Å; I212-Y215 PolarHBondContact O-N 3.01Å; I212-V216 HydrophobicContact CG2-CG2 4.11Å; I212-V216 WeakPolarHBondContact O-CG2 3.45Å; I212-V216 PolarHBondContact O-N 3.39Å; I212-L246 HydrophobicContact CD1-CD2 4.37Å; I212-L246 HydrophobicContact CG2-CD2 4Å; I212-Y250 HydrophobicContact CG2-CE2 3.59Å |
| 213 | R | 98.3 | Very high | 96.2 | Very high | 123 Ų | 123 | 52.5 Ų | 52.5 | 46% | 0.464 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -53.9 | -45.5 | -179.1 | 179.1 | 177.9 | 62.6 | 167.2 | -2.9 | 111.6 | C209 D210 Y215 V216 E217 | C209-R213 PolarHBondContact O-N 3.14Å; D210-R213 PolarHBondContact O-N 3.41Å; D210-R213 IonicContact OD1-CZ 2.84Å; D210-R213 IonicContact OD1-NE 3.7Å; D210-R213 IonicContact OD1-NH2 3.75Å; D210-R213 PolarHBondContact OD1-NH2 2.82Å; R213-Y215 VanDerWaalsContact C-N 3.33Å; R213-Y215 PolarHBondContact O-N 3.46Å; R213-V216 PolarHBondContact O-N 3.14Å; R213-V216 VanDerWaalsContact O-N 3.15Å; R213-E217 WeakPolarHBondContact CD-OE1 3.38Å; R213-E217 HydrophobicContact CG-CG 4.16Å; R213-E217 VanDerWaalsContact CG-OE1 3.22Å; R213-E217 WeakPolarHBondContact CG-OE1 3.37Å; R213-E217 WeakPolarHBondContact O-CB 3.47Å; R213-E217 WeakPolarHBondContact O-CG 3.13Å; R213-E217 PolarHBondContact O-N 2.79Å |
| 214 | L | 97.3 | Very high | 96.5 | Very high | 50 Ų | 50 | 48.6 Ų | 48.6 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.2 | -39 | 178.2 | -72.2 | 171.3 | 0 | 0 | 0 | 113.1 | D210 I212 E218 | D210-L214 WeakPolarHBondContact O-CB 3.2Å; D210-L214 VanDerWaalsContact O-CG 3.27Å; D210-L214 WeakPolarHBondContact O-CG 3.5Å; D210-L214 PolarHBondContact O-N 2.77Å; I212-L214 VanDerWaalsContact C-N 3.27Å; I212-L214 PolarHBondContact O-N 3.43Å; L214-E218 VanDerWaalsContact O-CG 3.24Å; L214-E218 WeakPolarHBondContact O-CG 3.32Å |
| 215 | Y | 97.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -73.3 | -34.7 | 174.6 | -82 | -53.7 | 0 | 0 | 0 | 113 | L8 L69 H170 R172 T173 R211 I212 R213 E218 C219 | L8-Y215 HydrophobicContact CD1-CD2 4.02Å; L8-Y215 HydrophobicContact CD1-CG 4.03Å; L69-Y215 HydrophobicContact CD1-CD2 4.11Å; L69-Y215 HydrophobicContact CD2-CD2 3.91Å; L69-Y215 HydrophobicContact CD2-CE2 3.58Å; L69-Y215 HydrophobicContact CG-CD2 3.81Å; L69-Y215 HydrophobicContact CG-CE2 3.83Å; H170-Y215 WeakPolarHBondContact CB-OH 3.34Å; H170-Y215 PolarHBondContact ND1-OH 3.35Å; R172-Y215 HydrophobicContact CB-CE2 4.02Å; T173-Y215 PolarHBondContact OG1-OH 2.88Å; T173-Y215 VanDerWaalsContact OG1-OH 3.04Å; R211-Y215 WeakPolarHBondContact O-CD2 3.28Å; R211-Y215 PolarHBondContact O-N 3.24Å; I212-Y215 PolarHBondContact O-N 3.01Å; R213-Y215 VanDerWaalsContact C-N 3.33Å; R213-Y215 PolarHBondContact O-N 3.46Å; Y215-E218 PolarHBondContact O-N 3.35Å; Y215-C219 PolarHBondContact O-SG 3.15Å |
| 216 | V | 97.7 | Very high | 96.7 | Very high | 24 Ų | 24 | 45.9 Ų | 45.9 | 15% | 0.145 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.6 | -43.3 | 177.5 | 168.8 | 0 | 0 | 0 | 0 | 111.4 | L8 I212 R213 E218 C219 L222 Y250 | L8-V216 HydrophobicContact CD2-CG2 4.27Å; I212-V216 HydrophobicContact CG2-CG2 4.11Å; I212-V216 WeakPolarHBondContact O-CG2 3.45Å; I212-V216 PolarHBondContact O-N 3.39Å; R213-V216 PolarHBondContact O-N 3.14Å; R213-V216 VanDerWaalsContact O-N 3.15Å; V216-E218 PolarHBondContact O-N 3.18Å; V216-C219 WeakPolarHBondContact O-CB 3.32Å; V216-C219 PolarHBondContact O-N 3.07Å; V216-L222 HydrophobicContact CB-CD2 4.29Å; V216-L222 HydrophobicContact CG1-CD2 3.73Å; V216-L222 HydrophobicContact CG2-CD2 3.8Å; V216-Y250 HydrophobicContact CB-CE1 4.01Å; V216-Y250 HydrophobicContact CG1-CD1 3.86Å; V216-Y250 HydrophobicContact CG1-CE1 3.62Å; V216-Y250 HydrophobicContact CG2-CD1 4.31Å; V216-Y250 HydrophobicContact CG2-CE1 3.9Å; V216-Y250 HydrophobicContact CG2-CE2 4.42Å |
| 217 | E | 96.2 | Very high | 96.8 | Very high | 133 Ų | 133 | 39.7 Ų | 39.7 | 62% | 0.621 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -64.3 | -21.2 | 177.6 | -73.2 | 175.9 | -179.5 | 0 | 0 | 113 | R213 C219 | R213-E217 WeakPolarHBondContact CD-OE1 3.38Å; R213-E217 HydrophobicContact CG-CG 4.16Å; R213-E217 VanDerWaalsContact CG-OE1 3.22Å; R213-E217 WeakPolarHBondContact CG-OE1 3.37Å; R213-E217 WeakPolarHBondContact O-CB 3.47Å; R213-E217 WeakPolarHBondContact O-CG 3.13Å; R213-E217 PolarHBondContact O-N 2.79Å; E217-C219 VanDerWaalsContact C-N 3.35Å |
| 218 | E | 93.5 | Very high | 97 | Very high | 63 Ų | 63 | 34.7 Ų | 34.7 | 29% | 0.294 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 2.6 | 175 | -71.9 | 173.2 | 172.5 | 0 | 0 | 113.9 | R53 R67 R172 L214 Y215 V216 | R53-E218 VanDerWaalsContact CZ-CD 3.47Å; R53-E218 IonicContact CZ-OE1 3.67Å; R53-E218 IonicContact CZ-OE2 2.9Å; R53-E218 IonicContact NE-OE2 3.54Å; R53-E218 PolarHBondContact NE-OE2 3.3Å; R53-E218 VanDerWaalsContact NE-OE2 3.09Å; R53-E218 IonicContact NH1-OE1 2.63Å; R53-E218 IonicContact NH1-OE2 3.75Å; R53-E218 PolarHBondContact NH1-OE2 3.09Å; R53-E218 IonicContact NH2-OE1 2.75Å; R53-E218 PolarHBondContact NH2-OE1 3.38Å; R53-E218 IonicContact NH2-OE2 3.8Å; R53-E218 PolarHBondContact NH2-OE2 3.4Å; R53-E218 VanDerWaalsContact NH2-OE2 3.09Å; R67-E218 PolarHBondContact NH1-O 3.12Å; R67-E218 VanDerWaalsContact NH1-O 3.11Å; R172-E218 IonicContact CZ-OE1 3.28Å; R172-E218 IonicContact NH1-OE1 3.87Å; R172-E218 PolarHBondContact NH1-OE1 2.91Å; R172-E218 IonicContact NH2-OE1 3.95Å; R172-E218 PolarHBondContact NH2-OE1 2.8Å; R172-E218 IonicContact NH2-OE2 3.98Å; R172-E218 PolarHBondContact NH2-OE2 2.79Å; L214-E218 VanDerWaalsContact O-CG 3.24Å; L214-E218 WeakPolarHBondContact O-CG 3.32Å; Y215-E218 PolarHBondContact O-N 3.35Å; V216-E218 PolarHBondContact O-N 3.18Å |
| 219 | C | 95.1 | Very high | 97 | Very high | 19 Ų | 19 | 34.8 Ų | 34.8 | 13% | 0.128 | 17% | 0.174 | C | C | . | . | trans | -96.6 | 131.1 | 176.9 | -60.8 | 0 | 0 | 0 | 0 | 110 | E6 R67 Y215 V216 E217 G221 L222 | E6-C219 HydrophobicContact CB-CB 4.1Å; E6-C219 HydrophobicContact CG-CB 4.37Å; R67-C219 PolarHBondContact NH1-SG 3.04Å; R67-C219 VanDerWaalsContact NH1-SG 3.37Å; Y215-C219 PolarHBondContact O-SG 3.15Å; V216-C219 WeakPolarHBondContact O-CB 3.32Å; V216-C219 PolarHBondContact O-N 3.07Å; E217-C219 VanDerWaalsContact C-N 3.35Å; C219-G221 VanDerWaalsContact C-N 3.32Å; C219-L222 HydrophobicContact CB-CB 3.91Å | ||
| 220 | D | 91.7 | Very high | 97 | Very high | 139 Ų | 139 | 33.9 Ų | 33.9 | 74% | 0.743 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -74.1 | -28.6 | 173.1 | -71.9 | -31.3 | 0 | 0 | 0 | 111.2 | E6 | E6-D220 PolarHBondContact OE1-N 2.88Å; E6-D220 PolarHBondContact OE2-N 3.37Å |
| 221 | G | 91.5 | Very high | 97 | Very high | 19 Ų | 19 | 31 Ų | 31 | 20% | 0.196 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -154.7 | 67.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R5 E6 C219 Q223 | R5-G221 CarbonylContact C-O 3.55Å; R5-G221 VanDerWaalsContact CA-O 3.3Å; R5-G221 WeakPolarHBondContact CA-O 3.39Å; E6-G221 PolarHBondContact N-O 2.97Å; E6-G221 VanDerWaalsContact N-O 3.11Å; E6-G221 WeakPolarHBondContact OE2-CA 3.29Å; E6-G221 PolarHBondContact OE2-N 2.55Å; C219-G221 VanDerWaalsContact C-N 3.32Å; G221-Q223 PolarHBondContact O-N 2.85Å |
| 222 | L | 96.2 | Very high | 96.8 | Very high | 16 Ų | 16 | 29.4 Ų | 29.4 | 8% | 0.084 | 15% | 0.147 | C | C | . | . | trans | -54.6 | 108.8 | 174.9 | 179.5 | 71.4 | 0 | 0 | 0 | 111.1 | E6 L8 V216 C219 F225 R252 | E6-L222 WeakPolarHBondContact O-CA 3.19Å; L8-L222 HydrophobicContact CB-CD1 4.39Å; V216-L222 HydrophobicContact CB-CD2 4.29Å; V216-L222 HydrophobicContact CG1-CD2 3.73Å; V216-L222 HydrophobicContact CG2-CD2 3.8Å; C219-L222 HydrophobicContact CB-CB 3.91Å; L222-F225 HydrophobicContact CD1-CE1 4.04Å; L222-F225 HydrophobicContact CD2-CE1 3.87Å; L222-F225 HydrophobicContact CD2-CZ 3.81Å; L222-F225 HydrophobicContact CG-CE1 4.41Å; L222-R252 HydrophobicContact CD2-CG 4.17Å; L222-R252 HydrophobicContact CG-CG 4.39Å | ||
| 223 | Q | 95.9 | Very high | 96.7 | Very high | 23 Ų | 23 | 29.4 Ų | 29.4 | 11% | 0.107 | 15% | 0.147 | C | C | . | . | trans | -90.5 | -24.1 | -179.7 | 70.2 | 171.2 | -46.4 | 0 | 0 | 113.1 | R5 E6 I7 G221 L354 | R5-Q223 HydrophobicContact CB-CB 4.12Å; R5-Q223 HydrophobicContact CB-CG 4.1Å; R5-Q223 PolarHBondContact O-NE2 2.89Å; E6-Q223 WeakPolarHBondContact O-CG 3.34Å; E6-Q223 PolarHBondContact O-N 2.59Å; I7-Q223 HydrophobicContact CD1-CG 4.15Å; I7-Q223 HydrophobicContact CG1-CG 3.48Å; I7-Q223 VanDerWaalsContact CG1-CG 3.48Å; G221-Q223 PolarHBondContact O-N 2.85Å; Q223-L354 HydrophobicContact CG-CB 4.34Å | ||
| 224 | G | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.2 | -158.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | I7 L8 A253 | I7-G224 WeakPolarHBondContact CA-O 3.43Å; L8-G224 PolarHBondContact N-O 2.89Å; G224-A253 CarbonylContact C-O 3.47Å; G224-A253 WeakPolarHBondContact CA-O 3.49Å |
| 225 | F | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 138.7 | -165.5 | -51.5 | -63.7 | 0 | 0 | 0 | 111.7 | L8 F10 L222 V227 L246 Y250 R252 A253 F255 | L8-F225 HydrophobicContact CB-CD1 3.99Å; L8-F225 HydrophobicContact CB-CE1 4.24Å; L8-F225 HydrophobicContact CD2-CE1 4.48Å; L8-F225 VanDerWaalsContact O-CA 3.32Å; L8-F225 WeakPolarHBondContact O-CA 3.33Å; F10-F225 HydrophobicContact CD2-CB 4.48Å; F10-F225 HydrophobicContact CE2-CB 4.34Å; F10-F225 AromaticContact CE2-CD1 3.71Å; F10-F225 HydrophobicContact CE2-CD1 3.71Å; F10-F225 HydrophobicContact CE2-CE1 4.33Å; F10-F225 HydrophobicContact CE2-CG 4.23Å; L222-F225 HydrophobicContact CD1-CE1 4.04Å; L222-F225 HydrophobicContact CD2-CE1 3.87Å; L222-F225 HydrophobicContact CD2-CZ 3.81Å; L222-F225 HydrophobicContact CG-CE1 4.41Å; F225-V227 HydrophobicContact CB-CG2 4.32Å; F225-L246 HydrophobicContact CB-CD1 4.33Å; F225-L246 HydrophobicContact CD1-CD1 4.45Å; F225-L246 HydrophobicContact CD1-CD2 4.4Å; F225-L246 HydrophobicContact CD2-CB 4.08Å; F225-L246 HydrophobicContact CD2-CD1 4.04Å; F225-L246 HydrophobicContact CD2-CD2 4.42Å; F225-L246 HydrophobicContact CD2-CG 4.41Å; F225-L246 HydrophobicContact CE1-CD2 4.03Å; F225-L246 HydrophobicContact CE2-CB 3.89Å; F225-L246 HydrophobicContact CE2-CD1 4.45Å; F225-L246 HydrophobicContact CE2-CD2 4.04Å; F225-L246 HydrophobicContact CE2-CG 4.34Å; F225-L246 HydrophobicContact CG-CD1 4.02Å; F225-L246 HydrophobicContact CZ-CD2 3.83Å; F225-Y250 HydrophobicContact CE2-CD2 4.45Å; F225-Y250 AromaticContact CZ-CD2 3.87Å; F225-Y250 HydrophobicContact CZ-CD2 3.87Å; F225-Y250 AromaticContact CZ-CG 3.98Å; F225-Y250 HydrophobicContact CZ-CG 3.98Å; F225-R252 HydrophobicContact CD2-CB 4.24Å; F225-R252 HydrophobicContact CE2-CB 3.78Å; F225-R252 HydrophobicContact CE2-CG 4.32Å; F225-R252 HydrophobicContact CZ-CB 4.37Å; F225-A253 PolarHBondContact N-O 3.04Å; F225-F255 PolarHBondContact O-N 3.4Å |
| 226 | H | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 130.2 | 161.5 | -67.1 | 156.2 | 0 | 0 | 0 | 108.6 | I7 L8 T9 F10 L228 F255 F338 Y345 | I7-H226 HydrophobicContact CG2-CB 4.32Å; L8-H226 PolarHBondContact O-N 2.91Å; L8-H226 VanDerWaalsContact O-N 3.12Å; T9-H226 CarbonylContact C-O 3.58Å; T9-H226 WeakPolarHBondContact CA-O 3.31Å; T9-H226 HydrophobicContact CG2-CB 4.02Å; F10-H226 PolarHBondContact N-O 3.25Å; H226-L228 HydrophobicContact CB-CD1 4.42Å; H226-F255 WeakPolarHBondContact CA-O 3.34Å; H226-F338 HydrophobicContact CB-CZ 3.91Å; H226-F338 AromaticContact CE1-CZ 3.94Å; H226-F338 AromaticContact CG-CZ 3.62Å; H226-F338 AromaticContact ND1-CZ 3.51Å; H226-Y345 AromaticContact NE2-CE2 3.7Å; H226-Y345 AromaticContact NE2-CZ 3.64Å; H226-Y345 PolarHBondContact NE2-OH 3.3Å |
| 227 | V | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 107.5 | -178.9 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | F10 F12 F225 F229 L243 L246 F255 A256 L257 | F10-V227 HydrophobicContact CB-CG1 4.26Å; F10-V227 HydrophobicContact CB-CG2 4.25Å; F10-V227 HydrophobicContact CD2-CG2 4.1Å; F10-V227 HydrophobicContact CG-CG2 4.5Å; F12-V227 HydrophobicContact CD2-CG1 4.16Å; F12-V227 HydrophobicContact CE2-CG1 4.05Å; F225-V227 HydrophobicContact CB-CG2 4.32Å; V227-F229 HydrophobicContact CG1-CD1 4.11Å; V227-L243 HydrophobicContact CB-CD2 4.23Å; V227-L243 HydrophobicContact CG1-CD1 4.45Å; V227-L243 HydrophobicContact CG1-CD2 4.43Å; V227-L243 HydrophobicContact CG1-CG 4.3Å; V227-L243 HydrophobicContact CG2-CD2 3.71Å; V227-L243 HydrophobicContact CG2-CG 4.39Å; V227-L246 HydrophobicContact CG2-CD1 4.39Å; V227-F255 PolarHBondContact N-O 2.89Å; V227-A256 HydrophobicContact CB-CB 4.4Å; V227-A256 CarbonylContact O-C 3.55Å; V227-A256 VanDerWaalsContact O-CA 3.25Å; V227-A256 WeakPolarHBondContact O-CA 3.17Å; V227-L257 PolarHBondContact O-N 3.18Å |
| 228 | L | 98.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133.6 | 175.6 | -66.5 | 75.6 | 0 | 0 | 0 | 108.2 | T9 F10 Q11 F12 A16 V19 H226 L257 L259 F338 | T9-L228 HydrophobicContact CG2-CD1 4.1Å; F10-L228 PolarHBondContact O-N 2.76Å; Q11-L228 CarbonylContact C-O 3.54Å; Q11-L228 WeakPolarHBondContact CA-O 3.41Å; Q11-L228 HydrophobicContact CG-CB 4.41Å; F12-L228 PolarHBondContact N-O 3.26Å; A16-L228 HydrophobicContact CB-CB 4.23Å; V19-L228 HydrophobicContact CB-CD2 4.4Å; V19-L228 HydrophobicContact CG1-CD2 3.87Å; H226-L228 HydrophobicContact CB-CD1 4.42Å; L228-L257 HydrophobicContact CD2-CD1 4.35Å; L228-L257 HydrophobicContact CG-CB 4.16Å; L228-L257 HydrophobicContact CG-CD1 4.06Å; L228-L259 HydrophobicContact CB-CD1 4.39Å; L228-F338 HydrophobicContact CD1-CE1 3.95Å; L228-F338 HydrophobicContact CD1-CZ 4.1Å; L228-F338 HydrophobicContact CD2-CD1 4.42Å; L228-F338 HydrophobicContact CD2-CE1 4.43Å |
| 229 | F | 98.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.009 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 152.1 | 176.9 | 64.3 | -88.7 | 0 | 0 | 0 | 113.9 | F12 V227 I231 A239 A256 L257 P258 L259 L290 | F12-F229 HydrophobicContact CB-CB 3.79Å; F12-F229 HydrophobicContact CD2-CB 4.41Å; F12-F229 CarbonylContact O-C 3.48Å; F12-F229 WeakPolarHBondContact O-CA 3.3Å; V227-F229 HydrophobicContact CG1-CD1 4.11Å; F229-I231 HydrophobicContact CD2-CB 4.26Å; F229-I231 HydrophobicContact CE2-CB 3.93Å; F229-I231 HydrophobicContact CE2-CD1 4.3Å; F229-I231 HydrophobicContact CE2-CG1 4.04Å; F229-I231 PolarHBondContact O-N 3.17Å; F229-A239 HydrophobicContact CB-CB 3.54Å; F229-A239 HydrophobicContact CD1-CB 3.73Å; F229-A239 HydrophobicContact CD2-CB 4.03Å; F229-A239 HydrophobicContact CE1-CB 4.34Å; F229-A239 HydrophobicContact CG-CB 3.51Å; F229-A256 HydrophobicContact CE1-CB 4.34Å; F229-L257 PolarHBondContact N-O 2.92Å; F229-P258 HydrophobicContact CE1-CB 4.31Å; F229-P258 HydrophobicContact CE2-CB 3.96Å; F229-P258 HydrophobicContact CZ-CB 3.81Å; F229-L259 PolarHBondContact O-N 3.09Å; F229-L290 HydrophobicContact CE1-CD2 3.93Å; F229-L290 HydrophobicContact CZ-CD1 3.86Å; F229-L290 HydrophobicContact CZ-CD2 3.87Å; F229-L290 HydrophobicContact CZ-CG 4.01Å |
| 230 | D | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 107.3 | 173.6 | -64.9 | -3.8 | 0 | 0 | 0 | 108.7 | F12 T14 Y15 A16 D232 F235 G236 Y261 | F12-D230 PolarHBondContact O-N 2.97Å; T14-D230 PolarHBondContact N-OD2 2.86Å; T14-D230 VanDerWaalsContact N-OD2 3.12Å; Y15-D230 WeakPolarHBondContact CB-OD1 3.39Å; Y15-D230 PolarHBondContact N-OD1 2.79Å; Y15-D230 PolarHBondContact N-OD2 2.88Å; A16-D230 PolarHBondContact N-OD1 3.41Å; D230-D232 VanDerWaalsContact C-N 3.33Å; D230-F235 HydrophobicContact CB-CB 4.23Å; D230-G236 PolarHBondContact O-N 2.86Å; D230-G236 VanDerWaalsContact O-N 3.11Å; D230-Y261 HydrophobicContact CB-CE2 4Å; D230-Y261 VanDerWaalsContact OD2-CE2 3.28Å; D230-Y261 WeakPolarHBondContact OD2-CE2 3.35Å; D230-Y261 PolarHBondContact OD2-OH 3.12Å |
| 231 | I | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -17.4 | -177.3 | -167.4 | 164.2 | 0 | 0 | 0 | 112.7 | F229 D233 P258 L259 H260 Y287 L290 | F229-I231 HydrophobicContact CD2-CB 4.26Å; F229-I231 HydrophobicContact CE2-CB 3.93Å; F229-I231 HydrophobicContact CE2-CD1 4.3Å; F229-I231 HydrophobicContact CE2-CG1 4.04Å; F229-I231 PolarHBondContact O-N 3.17Å; I231-D233 PolarHBondContact O-N 2.67Å; I231-P258 HydrophobicContact CB-CB 3.79Å; I231-P258 HydrophobicContact CD1-CB 3.54Å; I231-P258 HydrophobicContact CD1-CG 4.35Å; I231-P258 HydrophobicContact CG1-CB 4.2Å; I231-P258 HydrophobicContact CG2-CB 4.12Å; I231-L259 PolarHBondContact N-O 3.27Å; I231-L259 VanDerWaalsContact N-O 3.09Å; I231-H260 WeakPolarHBondContact CG2-CE1 3.49Å; I231-Y287 HydrophobicContact CD1-CD2 3.74Å; I231-Y287 HydrophobicContact CD1-CE2 3.66Å; I231-L290 HydrophobicContact CD1-CD1 4.39Å |
| 232 | D | 94.9 | Very high | 98 | Very high | 4 Ų | 4 | 4.7 Ų | 4.7 | 2% | 0.021 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -10 | -176.2 | -68.5 | -36.7 | 0 | 0 | 0 | 113 | D230 H260 Y261 Y267 R279 N282 N283 | D230-D232 VanDerWaalsContact C-N 3.33Å; D232-H260 IonicContact OD1-CE1 3.68Å; D232-H260 IonicContact OD1-CG 2.65Å; D232-H260 IonicContact OD1-ND1 3.86Å; D232-H260 PolarHBondContact OD1-ND1 2.77Å; D232-H260 VanDerWaalsContact OD2-CA 3.24Å; D232-H260 WeakPolarHBondContact OD2-CA 3.33Å; D232-H260 IonicContact OD2-CG 3.4Å; D232-H260 IonicContact OD2-ND1 3.49Å; D232-Y261 HydrophobicContact CB-CD2 4.48Å; D232-Y261 PolarHBondContact OD2-N 3.08Å; D232-Y267 PolarHBondContact O-OH 2.97Å; D232-R279 HydrophobicContact CB-CG 3.91Å; D232-R279 VanDerWaalsContact OD1-CD 3.32Å; D232-R279 WeakPolarHBondContact OD1-CD 3.4Å; D232-R279 VanDerWaalsContact OD1-CG 3.3Å; D232-R279 WeakPolarHBondContact OD1-CG 3.38Å; D232-N282 PolarHBondContact O-ND2 2.81Å; D232-N283 PolarHBondContact OD1-ND2 3.37Å |
| 233 | D | 95.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 4 Ų | 4 | 1% | 0.005 | 2% | 0.019 | C | C | . | . | S | Bend | trans | -135.6 | -167 | -177.2 | 66.5 | 33.6 | 0 | 0 | 0 | 111.2 | Q187 L189 I231 F235 G236 N282 | Q187-D233 HydrophobicContact CB-CB 4.2Å; Q187-D233 HydrophobicContact CG-CB 4.07Å; Q187-D233 PolarHBondContact OE1-OD2 3.35Å; L189-D233 WeakPolarHBondContact O-CB 3.35Å; I231-D233 PolarHBondContact O-N 2.67Å; D233-F235 PolarHBondContact O-N 3.25Å; D233-F235 VanDerWaalsContact OD1-CB 3.3Å; D233-F235 WeakPolarHBondContact OD1-CB 3.35Å; D233-F235 WeakPolarHBondContact OD1-CD2 3.4Å; D233-F235 PolarHBondContact OD1-N 2.92Å; D233-G236 PolarHBondContact O-N 3.42Å; D233-N282 WeakPolarHBondContact CA-ND2 3.35Å |
| 234 | G | 96.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.025 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -10.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L189 T191 G195 G236 G237 L238 | L189-G234 WeakPolarHBondContact O-CA 3.33Å; L189-G234 PolarHBondContact O-N 3.33Å; T191-G234 VanDerWaalsContact C-CA 3.43Å; T191-G234 WeakPolarHBondContact O-CA 3.46Å; G195-G234 WeakPolarHBondContact CA-O 3.47Å; G234-G236 PolarHBondContact O-N 2.87Å; G234-G237 PolarHBondContact O-N 3.46Å; G234-L238 PolarHBondContact O-N 3.45Å |
| 235 | F | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 7 Ų | 7 | 0% | 0.004 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -60.7 | -25.9 | 169.3 | -72.2 | -71.4 | 0 | 0 | 0 | 112 | F12 G13 V71 L73 L177 L189 D230 D233 G237 L238 A239 | F12-F235 HydrophobicContact CB-CB 4.14Å; F12-F235 HydrophobicContact CB-CD1 4.11Å; F12-F235 WeakPolarHBondContact O-CB 3.28Å; G13-F235 VanDerWaalsContact CA-CE2 3.47Å; V71-F235 HydrophobicContact CG1-CE1 4.26Å; L73-F235 HydrophobicContact CD1-CE2 4.47Å; L73-F235 HydrophobicContact CD2-CE2 4.15Å; L73-F235 HydrophobicContact CD2-CZ 3.67Å; L73-F235 HydrophobicContact CG-CE2 4.08Å; L73-F235 HydrophobicContact CG-CZ 3.79Å; L177-F235 HydrophobicContact CD1-CE1 3.81Å; L177-F235 HydrophobicContact CD1-CZ 4.22Å; L189-F235 HydrophobicContact CD2-CD1 4.23Å; L189-F235 HydrophobicContact CD2-CE1 4.33Å; L189-F235 HydrophobicContact CD2-CG 4.33Å; L189-F235 HydrophobicContact CD2-CZ 4.5Å; D230-F235 HydrophobicContact CB-CB 4.23Å; D233-F235 PolarHBondContact O-N 3.25Å; D233-F235 VanDerWaalsContact OD1-CB 3.3Å; D233-F235 WeakPolarHBondContact OD1-CB 3.35Å; D233-F235 WeakPolarHBondContact OD1-CD2 3.4Å; D233-F235 PolarHBondContact OD1-N 2.92Å; F235-G237 VanDerWaalsContact C-N 3.34Å; F235-G237 PolarHBondContact O-N 2.96Å; F235-L238 HydrophobicContact CD1-CD2 4.27Å; F235-L238 PolarHBondContact O-N 3.12Å; F235-A239 WeakPolarHBondContact O-CB 3.35Å; F235-A239 PolarHBondContact O-N 2.98Å |
| 236 | G | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.01 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -59.9 | -39.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y192 D230 D233 G234 G240 | Y192-G236 VanDerWaalsContact CE2-O 3.29Å; Y192-G236 WeakPolarHBondContact CE2-O 3.27Å; D230-G236 PolarHBondContact O-N 2.86Å; D230-G236 VanDerWaalsContact O-N 3.11Å; D233-G236 PolarHBondContact O-N 3.42Å; G234-G236 PolarHBondContact O-N 2.87Å; G236-G240 PolarHBondContact O-N 2.99Å |
| 237 | G | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -72.8 | -38.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y192 G234 F235 G240 K241 | Y192-G237 VanDerWaalsContact CE2-CA 3.45Å; Y192-G237 VanDerWaalsContact CZ-CA 3.49Å; Y192-G237 WeakPolarHBondContact O-CA 3.39Å; G234-G237 PolarHBondContact O-N 3.46Å; F235-G237 VanDerWaalsContact C-N 3.34Å; F235-G237 PolarHBondContact O-N 2.96Å; G237-G240 PolarHBondContact O-N 3.38Å; G237-K241 PolarHBondContact O-N 3.25Å; G237-K241 VanDerWaalsContact O-N 3.1Å |
| 238 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.9 | -48.5 | 176.1 | -175.9 | 58.4 | 0 | 0 | 0 | 111.6 | F12 V71 L177 W199 F204 G234 F235 G240 K241 C242 | F12-L238 HydrophobicContact CD1-CD2 3.92Å; F12-L238 HydrophobicContact CD1-CG 3.87Å; F12-L238 HydrophobicContact CE1-CD2 4.4Å; F12-L238 HydrophobicContact CE1-CG 4.1Å; V71-L238 HydrophobicContact CG1-CD2 3.83Å; L177-L238 HydrophobicContact CD1-CD2 4.18Å; L177-L238 HydrophobicContact CD2-CD2 4.09Å; W199-L238 HydrophobicContact CB-CD1 3.82Å; W199-L238 HydrophobicContact CE3-CD1 3.89Å; F204-L238 HydrophobicContact CE1-CD1 3.7Å; F204-L238 HydrophobicContact CZ-CD1 4.18Å; F204-L238 HydrophobicContact CZ-CD2 4.29Å; G234-L238 PolarHBondContact O-N 3.45Å; F235-L238 HydrophobicContact CD1-CD2 4.27Å; F235-L238 PolarHBondContact O-N 3.12Å; L238-G240 VanDerWaalsContact C-N 3.29Å; L238-G240 PolarHBondContact O-N 2.7Å; L238-K241 PolarHBondContact O-N 2.78Å; L238-C242 PolarHBondContact O-N 2.77Å |
| 239 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.1 | -38.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F12 F229 F235 K241 C242 L243 | F12-A239 HydrophobicContact CB-CB 4.07Å; F12-A239 HydrophobicContact CD2-CB 3.53Å; F12-A239 HydrophobicContact CE2-CB 4.09Å; F12-A239 HydrophobicContact CG-CB 3.85Å; F229-A239 HydrophobicContact CB-CB 3.54Å; F229-A239 HydrophobicContact CD1-CB 3.73Å; F229-A239 HydrophobicContact CD2-CB 4.03Å; F229-A239 HydrophobicContact CE1-CB 4.34Å; F229-A239 HydrophobicContact CG-CB 3.51Å; F235-A239 WeakPolarHBondContact O-CB 3.35Å; F235-A239 PolarHBondContact O-N 2.98Å; A239-K241 PolarHBondContact O-N 3.12Å; A239-C242 PolarHBondContact O-N 2.94Å; A239-L243 WeakPolarHBondContact O-CB 3.31Å; A239-L243 WeakPolarHBondContact O-CG 3.32Å; A239-L243 PolarHBondContact O-N 2.87Å |
| 240 | G | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.3 | -43.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G236 G237 L238 L243 E244 Q289 | G236-G240 PolarHBondContact O-N 2.99Å; G237-G240 PolarHBondContact O-N 3.38Å; L238-G240 VanDerWaalsContact C-N 3.29Å; L238-G240 PolarHBondContact O-N 2.7Å; G240-L243 PolarHBondContact O-N 2.81Å; G240-E244 PolarHBondContact O-N 2.8Å; G240-Q289 PolarHBondContact O-NE2 3.12Å |
| 241 | K | 98.7 | Very high | 97.8 | Very high | 48 Ų | 48 | 27 Ų | 27 | 21% | 0.209 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -74.7 | -32.7 | 175.3 | -72.6 | -55 | -173.2 | -177 | 0 | 113.9 | T196 W199 G237 L238 A239 E244 H245 | T196-K241 HydrophobicContact CG2-CD 4.31Å; T196-K241 HydrophobicContact CG2-CG 3.86Å; W199-K241 HydrophobicContact CB-CB 3.82Å; W199-K241 HydrophobicContact CB-CG 4.21Å; W199-K241 VanDerWaalsContact CD1-CB 3.46Å; W199-K241 HydrophobicContact CD2-CB 3.69Å; W199-K241 HydrophobicContact CE3-CB 4.44Å; W199-K241 HydrophobicContact CG-CB 3.35Å; W199-K241 HydrophobicContact CG-CG 4.07Å; G237-K241 PolarHBondContact O-N 3.25Å; G237-K241 VanDerWaalsContact O-N 3.1Å; L238-K241 PolarHBondContact O-N 2.78Å; A239-K241 PolarHBondContact O-N 3.12Å; K241-E244 VanDerWaalsContact CD-OE2 3.32Å; K241-E244 WeakPolarHBondContact CD-OE2 3.21Å; K241-E244 VanDerWaalsContact NZ-CD 3.32Å; K241-E244 IonicContact NZ-OE1 3.96Å; K241-E244 PolarHBondContact NZ-OE1 3.31Å; K241-E244 VanDerWaalsContact NZ-OE1 3.11Å; K241-E244 IonicContact NZ-OE2 3.86Å; K241-E244 PolarHBondContact NZ-OE2 2.65Å; K241-E244 PolarHBondContact O-N 2.76Å; K241-H245 PolarHBondContact O-N 3.31Å; K241-H245 VanDerWaalsContact O-N 3.09Å |
| 242 | C | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.7 | -46.7 | 168.8 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | F12 W199 L238 A239 E244 H245 L246 | F12-C242 HydrophobicContact CE1-CB 4.3Å; F12-C242 HydrophobicContact CE2-CB 4.07Å; F12-C242 HydrophobicContact CZ-CB 3.55Å; W199-C242 HydrophobicContact CE3-CB 4.29Å; W199-C242 HydrophobicContact CH2-CB 4.01Å; W199-C242 HydrophobicContact CZ3-CB 3.65Å; L238-C242 PolarHBondContact O-N 2.77Å; A239-C242 PolarHBondContact O-N 2.94Å; C242-E244 VanDerWaalsContact C-N 3.31Å; C242-E244 PolarHBondContact O-N 3.39Å; C242-H245 WeakPolarHBondContact O-CB 3.4Å; C242-H245 PolarHBondContact O-N 3.02Å; C242-L246 VanDerWaalsContact O-CG 3.28Å; C242-L246 WeakPolarHBondContact O-CG 3.19Å; C242-L246 PolarHBondContact O-N 3.49Å |
| 243 | L | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.9 | -40.6 | 178 | -81.9 | 168.2 | 0 | 0 | 0 | 112.8 | V227 A239 G240 L246 N247 A256 L290 Q293 | V227-L243 HydrophobicContact CB-CD2 4.23Å; V227-L243 HydrophobicContact CG1-CD1 4.45Å; V227-L243 HydrophobicContact CG1-CD2 4.43Å; V227-L243 HydrophobicContact CG1-CG 4.3Å; V227-L243 HydrophobicContact CG2-CD2 3.71Å; V227-L243 HydrophobicContact CG2-CG 4.39Å; A239-L243 WeakPolarHBondContact O-CB 3.31Å; A239-L243 WeakPolarHBondContact O-CG 3.32Å; A239-L243 PolarHBondContact O-N 2.87Å; G240-L243 PolarHBondContact O-N 2.81Å; L243-L246 PolarHBondContact O-N 2.96Å; L243-N247 PolarHBondContact O-N 2.86Å; L243-N247 VanDerWaalsContact O-N 3.07Å; L243-N247 PolarHBondContact O-ND2 2.95Å; L243-A256 HydrophobicContact CD1-CB 4.46Å; L243-L290 HydrophobicContact CD1-CD2 4.02Å; L243-Q293 HydrophobicContact CB-CB 3.88Å |
| 244 | E | 98.5 | Very high | 98 | Very high | 52 Ų | 52 | 33.4 Ų | 33.4 | 24% | 0.243 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.1 | -52 | 173.3 | -174.3 | 176 | 142.4 | 0 | 0 | 111 | G240 K241 C242 L246 N247 D248 Q289 Q293 | G240-E244 PolarHBondContact O-N 2.8Å; K241-E244 VanDerWaalsContact CD-OE2 3.32Å; K241-E244 WeakPolarHBondContact CD-OE2 3.21Å; K241-E244 VanDerWaalsContact NZ-CD 3.32Å; K241-E244 IonicContact NZ-OE1 3.96Å; K241-E244 PolarHBondContact NZ-OE1 3.31Å; K241-E244 VanDerWaalsContact NZ-OE1 3.11Å; K241-E244 IonicContact NZ-OE2 3.86Å; K241-E244 PolarHBondContact NZ-OE2 2.65Å; K241-E244 PolarHBondContact O-N 2.76Å; C242-E244 VanDerWaalsContact C-N 3.31Å; C242-E244 PolarHBondContact O-N 3.39Å; E244-L246 VanDerWaalsContact C-N 3.33Å; E244-L246 PolarHBondContact O-N 3.11Å; E244-N247 PolarHBondContact O-N 2.81Å; E244-D248 PolarHBondContact O-N 2.78Å; E244-Q289 PolarHBondContact OE2-NE2 3.28Å; E244-Q289 VanDerWaalsContact OE2-NE2 3.11Å; E244-Q293 HydrophobicContact CB-CG 4.35Å |
| 245 | H | 98.6 | Very high | 98.1 | Very high | 35 Ų | 35 | 33.4 Ų | 33.4 | 16% | 0.162 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.6 | -42.3 | 175.8 | 172.6 | 75.8 | 0 | 0 | 0 | 113 | W199 K241 C242 N247 D248 E249 | W199-H245 HydrophobicContact CH2-CB 4.12Å; W199-H245 HydrophobicContact CZ2-CB 3.62Å; W199-H245 AromaticContact CZ2-CG 3.97Å; K241-H245 PolarHBondContact O-N 3.31Å; K241-H245 VanDerWaalsContact O-N 3.09Å; C242-H245 WeakPolarHBondContact O-CB 3.4Å; C242-H245 PolarHBondContact O-N 3.02Å; H245-N247 VanDerWaalsContact C-N 3.28Å; H245-N247 PolarHBondContact O-N 3.46Å; H245-D248 PolarHBondContact O-N 2.88Å; H245-E249 VanDerWaalsContact CE1-CG 3.45Å; H245-E249 WeakPolarHBondContact CE1-CG 3.23Å; H245-E249 WeakPolarHBondContact O-CB 3.29Å; H245-E249 PolarHBondContact O-N 2.78Å |
| 246 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -36.8 | 179.7 | -69.3 | 175.7 | 0 | 0 | 0 | 112.2 | F10 I212 F225 V227 C242 L243 E244 Y250 S251 | F10-L246 HydrophobicContact CD2-CD1 4.07Å; F10-L246 HydrophobicContact CE2-CD1 3.64Å; F10-L246 HydrophobicContact CE2-CD2 4.06Å; F10-L246 HydrophobicContact CZ-CD1 3.95Å; F10-L246 HydrophobicContact CZ-CD2 3.74Å; F10-L246 HydrophobicContact CZ-CG 4.42Å; I212-L246 HydrophobicContact CD1-CD2 4.37Å; I212-L246 HydrophobicContact CG2-CD2 4Å; F225-L246 HydrophobicContact CB-CD1 4.33Å; F225-L246 HydrophobicContact CD1-CD1 4.45Å; F225-L246 HydrophobicContact CD1-CD2 4.4Å; F225-L246 HydrophobicContact CD2-CB 4.08Å; F225-L246 HydrophobicContact CD2-CD1 4.04Å; F225-L246 HydrophobicContact CD2-CD2 4.42Å; F225-L246 HydrophobicContact CD2-CG 4.41Å; F225-L246 HydrophobicContact CE1-CD2 4.03Å; F225-L246 HydrophobicContact CE2-CB 3.89Å; F225-L246 HydrophobicContact CE2-CD1 4.45Å; F225-L246 HydrophobicContact CE2-CD2 4.04Å; F225-L246 HydrophobicContact CE2-CG 4.34Å; F225-L246 HydrophobicContact CG-CD1 4.02Å; F225-L246 HydrophobicContact CZ-CD2 3.83Å; V227-L246 HydrophobicContact CG2-CD1 4.39Å; C242-L246 VanDerWaalsContact O-CG 3.28Å; C242-L246 WeakPolarHBondContact O-CG 3.19Å; C242-L246 PolarHBondContact O-N 3.49Å; L243-L246 PolarHBondContact O-N 2.96Å; E244-L246 VanDerWaalsContact C-N 3.33Å; E244-L246 PolarHBondContact O-N 3.11Å; L246-Y250 HydrophobicContact CD2-CD2 3.88Å; L246-Y250 HydrophobicContact CD2-CE2 4.01Å; L246-Y250 WeakPolarHBondContact O-CB 3.38Å; L246-Y250 PolarHBondContact O-N 3.11Å; L246-Y250 VanDerWaalsContact O-N 3.09Å; L246-S251 PolarHBondContact O-N 3.27Å |
| 247 | N | 97.5 | Very high | 98.2 | Very high | 33 Ų | 33 | 33.4 Ų | 33.4 | 18% | 0.176 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71.7 | -44.3 | 176.4 | -75.5 | -24.1 | 0 | 0 | 0 | 112.3 | L243 E244 H245 S251 Q293 | L243-N247 PolarHBondContact O-N 2.86Å; L243-N247 VanDerWaalsContact O-N 3.07Å; L243-N247 PolarHBondContact O-ND2 2.95Å; E244-N247 PolarHBondContact O-N 2.81Å; H245-N247 VanDerWaalsContact C-N 3.28Å; H245-N247 PolarHBondContact O-N 3.46Å; N247-S251 VanDerWaalsContact O-CA 3.27Å; N247-S251 WeakPolarHBondContact O-CA 3.37Å; N247-S251 PolarHBondContact O-N 2.9Å; N247-S251 VanDerWaalsContact O-N 3.08Å; N247-S251 PolarHBondContact O-OG 2.94Å; N247-Q293 VanDerWaalsContact ND2-CA 3.28Å; N247-Q293 WeakPolarHBondContact ND2-CA 3.38Å; N247-Q293 WeakPolarHBondContact ND2-CB 3.33Å; N247-Q293 PolarHBondContact ND2-O 3.02Å; N247-Q293 PolarHBondContact ND2-OE1 2.87Å |
| 248 | D | 97.7 | Very high | 98.2 | Very high | 116 Ų | 116 | 33.4 Ų | 33.4 | 62% | 0.62 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -64.8 | -44.3 | -178.1 | -72.7 | -16.4 | 0 | 0 | 0 | 111.9 | E244 H245 | E244-D248 PolarHBondContact O-N 2.78Å; H245-D248 PolarHBondContact O-N 2.88Å |
| 249 | E | 98 | Very high | 98.2 | Very high | 132 Ų | 132 | 33.4 Ų | 33.4 | 62% | 0.617 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -88.9 | -36.9 | -174.5 | -67.2 | -61 | 140.4 | 0 | 0 | 113.8 | H245 | H245-E249 VanDerWaalsContact CE1-CG 3.45Å; H245-E249 WeakPolarHBondContact CE1-CG 3.23Å; H245-E249 WeakPolarHBondContact O-CB 3.29Å; H245-E249 PolarHBondContact O-N 2.78Å |
| 250 | Y | 97.5 | Very high | 98.1 | Very high | 47 Ų | 47 | 33.4 Ų | 33.4 | 18% | 0.184 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -115.1 | -25.5 | -171 | -52.4 | -70.7 | 0 | 0 | 0 | 114 | I212 V216 F225 L246 R252 | I212-Y250 HydrophobicContact CG2-CE2 3.59Å; V216-Y250 HydrophobicContact CB-CE1 4.01Å; V216-Y250 HydrophobicContact CG1-CD1 3.86Å; V216-Y250 HydrophobicContact CG1-CE1 3.62Å; V216-Y250 HydrophobicContact CG2-CD1 4.31Å; V216-Y250 HydrophobicContact CG2-CE1 3.9Å; V216-Y250 HydrophobicContact CG2-CE2 4.42Å; F225-Y250 HydrophobicContact CE2-CD2 4.45Å; F225-Y250 AromaticContact CZ-CD2 3.87Å; F225-Y250 HydrophobicContact CZ-CD2 3.87Å; F225-Y250 AromaticContact CZ-CG 3.98Å; F225-Y250 HydrophobicContact CZ-CG 3.98Å; L246-Y250 HydrophobicContact CD2-CD2 3.88Å; L246-Y250 HydrophobicContact CD2-CE2 4.01Å; L246-Y250 WeakPolarHBondContact O-CB 3.38Å; L246-Y250 PolarHBondContact O-N 3.11Å; L246-Y250 VanDerWaalsContact O-N 3.09Å; Y250-R252 WeakPolarHBondContact O-CG 3.45Å; Y250-R252 PolarHBondContact O-N 3.07Å |
| 251 | S | 94.6 | Very high | 97.9 | Very high | 94 Ų | 94 | 33.8 Ų | 33.8 | 66% | 0.657 | 17% | 0.166 | S | C | * | . | trans | 47.3 | 44.2 | 179.5 | -54.4 | 0 | 0 | 0 | 0 | 113.5 | L246 N247 | L246-S251 PolarHBondContact O-N 3.27Å; N247-S251 VanDerWaalsContact O-CA 3.27Å; N247-S251 WeakPolarHBondContact O-CA 3.37Å; N247-S251 PolarHBondContact O-N 2.9Å; N247-S251 VanDerWaalsContact O-N 3.08Å; N247-S251 PolarHBondContact O-OG 2.94Å | ||
| 252 | R | 97.1 | Very high | 97.6 | Very high | 132 Ų | 132 | 31.7 Ų | 31.7 | 50% | 0.498 | 16% | 0.157 | S | C | . | . | trans | -104.8 | 165.3 | 178.5 | -56.7 | -55.8 | -177.7 | 169.9 | 1.5 | 112 | L222 F225 Y250 S254 | L222-R252 HydrophobicContact CD2-CG 4.17Å; L222-R252 HydrophobicContact CG-CG 4.39Å; F225-R252 HydrophobicContact CD2-CB 4.24Å; F225-R252 HydrophobicContact CE2-CB 3.78Å; F225-R252 HydrophobicContact CE2-CG 4.32Å; F225-R252 HydrophobicContact CZ-CB 4.37Å; Y250-R252 WeakPolarHBondContact O-CG 3.45Å; Y250-R252 PolarHBondContact O-N 3.07Å; R252-S254 PolarHBondContact O-N 3.37Å | ||
| 253 | A | 97.9 | Very high | 97.2 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 7% | 0.066 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 124.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G224 F225 L295 L354 L355 | G224-A253 CarbonylContact C-O 3.47Å; G224-A253 WeakPolarHBondContact CA-O 3.49Å; F225-A253 PolarHBondContact N-O 3.04Å; A253-L295 HydrophobicContact CB-CD2 3.51Å; A253-L354 HydrophobicContact CB-CD2 4.27Å; A253-L354 HydrophobicContact CB-CG 4.12Å; A253-L354 WeakPolarHBondContact O-CD2 3.5Å; A253-L355 HydrophobicContact CB-CB 4.03Å; A253-L355 HydrophobicContact CB-CD1 4.33Å |
| 254 | S | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 114 | 177.5 | -65 | 0 | 0 | 0 | 0 | 110.5 | R252 L295 M296 | R252-S254 PolarHBondContact O-N 3.37Å; S254-L295 WeakPolarHBondContact O-CB 3.27Å; S254-L295 PolarHBondContact O-N 3.26Å; S254-L295 VanDerWaalsContact O-N 3.08Å; S254-M296 PolarHBondContact O-N 3.26Å |
| 255 | F | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 110.7 | 169.1 | 177.1 | -155.3 | 0 | 0 | 0 | 109.8 | F225 H226 V227 L257 M296 T298 F338 T342 L354 F357 | F225-F255 PolarHBondContact O-N 3.4Å; H226-F255 WeakPolarHBondContact CA-O 3.34Å; V227-F255 PolarHBondContact N-O 2.89Å; F255-L257 HydrophobicContact CE1-CD2 4.35Å; F255-L257 HydrophobicContact CE2-CD2 3.61Å; F255-L257 HydrophobicContact CE2-CG 4.38Å; F255-L257 HydrophobicContact CZ-CD2 3.51Å; F255-L257 HydrophobicContact CZ-CG 4.32Å; F255-M296 WeakPolarHBondContact CA-O 3.39Å; F255-M296 HydrophobicContact CD1-CE 4.03Å; F255-M296 HydrophobicContact CD2-CB 4.33Å; F255-M296 HydrophobicContact CD2-CE 3.49Å; F255-M296 VanDerWaalsContact CD2-CE 3.49Å; F255-M296 HydrophobicContact CD2-CG 4.27Å; F255-M296 HydrophobicContact CE1-CE 4.03Å; F255-M296 HydrophobicContact CE2-CE 3.54Å; F255-M296 HydrophobicContact CE2-CG 4.46Å; F255-M296 HydrophobicContact CG-CE 3.78Å; F255-M296 HydrophobicContact CZ-CE 3.79Å; F255-T298 WeakPolarHBondContact CE2-OG1 3.26Å; F255-F338 HydrophobicContact CD1-CE2 4.31Å; F255-F338 HydrophobicContact CE1-CD2 4.39Å; F255-F338 HydrophobicContact CE1-CE2 4.11Å; F255-T342 HydrophobicContact CD1-CG2 4.4Å; F255-T342 HydrophobicContact CE1-CG2 4.08Å; F255-L354 HydrophobicContact CB-CD1 3.9Å; F255-F357 HydrophobicContact CD1-CE1 4.3Å; F255-F357 HydrophobicContact CE1-CE1 4.16Å |
| 256 | A | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 142.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V227 F229 L243 L290 A294 M296 F297 T298 | V227-A256 HydrophobicContact CB-CB 4.4Å; V227-A256 CarbonylContact O-C 3.55Å; V227-A256 VanDerWaalsContact O-CA 3.25Å; V227-A256 WeakPolarHBondContact O-CA 3.17Å; F229-A256 HydrophobicContact CE1-CB 4.34Å; L243-A256 HydrophobicContact CD1-CB 4.46Å; A256-L290 HydrophobicContact CB-CD2 3.6Å; A256-A294 HydrophobicContact CB-CB 4.19Å; A256-M296 PolarHBondContact N-O 3.21Å; A256-F297 HydrophobicContact CB-CB 3.99Å; A256-F297 CarbonylContact O-C 3.59Å; A256-F297 WeakPolarHBondContact O-CA 3.35Å; A256-T298 PolarHBondContact O-N 2.93Å |
| 257 | L | 98.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 90.9 | 176 | -64.6 | -178.3 | 0 | 0 | 0 | 109.2 | V227 L228 F229 F255 L259 T298 L300 F338 | V227-L257 PolarHBondContact O-N 3.18Å; L228-L257 HydrophobicContact CD2-CD1 4.35Å; L228-L257 HydrophobicContact CG-CB 4.16Å; L228-L257 HydrophobicContact CG-CD1 4.06Å; F229-L257 PolarHBondContact N-O 2.92Å; F255-L257 HydrophobicContact CE1-CD2 4.35Å; F255-L257 HydrophobicContact CE2-CD2 3.61Å; F255-L257 HydrophobicContact CE2-CG 4.38Å; F255-L257 HydrophobicContact CZ-CD2 3.51Å; F255-L257 HydrophobicContact CZ-CG 4.32Å; L257-L259 HydrophobicContact CB-CD2 4.3Å; L257-L259 PolarHBondContact O-N 3.06Å; L257-T298 WeakPolarHBondContact CD2-O 3.35Å; L257-L300 HydrophobicContact CB-CD1 4.45Å; L257-L300 HydrophobicContact CD1-CD1 4.01Å; L257-L300 HydrophobicContact CD2-CD1 3.93Å; L257-L300 HydrophobicContact CD2-CG 4.29Å; L257-L300 HydrophobicContact CG-CD1 4.37Å; L257-F338 HydrophobicContact CD1-CB 4.14Å; L257-F338 HydrophobicContact CD1-CD1 4.25Å; L257-F338 HydrophobicContact CD1-CD2 3.36Å; L257-F338 HydrophobicContact CD1-CE2 3.66Å; L257-F338 HydrophobicContact CD1-CG 3.67Å; L257-F338 HydrophobicContact CD1-CZ 4.25Å; L257-F338 HydrophobicContact CG-CD2 4.48Å |
| 258 | P | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 122.1 | 169.2 | 25 | -28 | 0 | 0 | 0 | 109.8 | F229 I231 L290 F297 P299 L300 | F229-P258 HydrophobicContact CE1-CB 4.31Å; F229-P258 HydrophobicContact CE2-CB 3.96Å; F229-P258 HydrophobicContact CZ-CB 3.81Å; I231-P258 HydrophobicContact CB-CB 3.79Å; I231-P258 HydrophobicContact CD1-CB 3.54Å; I231-P258 HydrophobicContact CD1-CG 4.35Å; I231-P258 HydrophobicContact CG1-CB 4.2Å; I231-P258 HydrophobicContact CG2-CB 4.12Å; P258-L290 HydrophobicContact CB-CD1 4.09Å; P258-L290 HydrophobicContact CG-CD1 3.7Å; P258-F297 HydrophobicContact CG-CD2 4.38Å; P258-P299 HydrophobicContact CG-CB 3.92Å; P258-P299 HydrophobicContact CG-CG 3.96Å; P258-P299 WeakPolarHBondContact O-CA 3.49Å; P258-L300 PolarHBondContact O-N 3.45Å |
| 259 | L | 98.8 | Very high | 94 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.1 | -173.9 | -55.1 | 176.7 | 0 | 0 | 0 | 110.4 | Y15 A16 V19 L228 F229 I231 L257 L300 L334 | Y15-L259 HydrophobicContact CD1-CB 4.02Å; Y15-L259 HydrophobicContact CE1-CB 4.38Å; A16-L259 VanDerWaalsContact CA-CD1 3.43Å; A16-L259 HydrophobicContact CB-CD1 3.85Å; V19-L259 HydrophobicContact CB-CD1 4.11Å; V19-L259 HydrophobicContact CG2-CD1 3.86Å; L228-L259 HydrophobicContact CB-CD1 4.39Å; F229-L259 PolarHBondContact O-N 3.09Å; I231-L259 PolarHBondContact N-O 3.27Å; I231-L259 VanDerWaalsContact N-O 3.09Å; L257-L259 HydrophobicContact CB-CD2 4.3Å; L257-L259 PolarHBondContact O-N 3.06Å; L259-L300 HydrophobicContact CD2-CB 3.86Å; L259-L300 HydrophobicContact CD2-CD1 4.07Å; L259-L300 HydrophobicContact CD2-CG 4.43Å; L259-L334 HydrophobicContact CD2-CD1 4.22Å |
| 260 | H | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -96.7 | 136.4 | 171.6 | -67.1 | -81.2 | 0 | 0 | 0 | 111.3 | Y15 I231 D232 N283 L300 I306 | Y15-H260 WeakPolarHBondContact CE1-O 3.38Å; I231-H260 WeakPolarHBondContact CG2-CE1 3.49Å; D232-H260 IonicContact OD1-CE1 3.68Å; D232-H260 IonicContact OD1-CG 2.65Å; D232-H260 IonicContact OD1-ND1 3.86Å; D232-H260 PolarHBondContact OD1-ND1 2.77Å; D232-H260 VanDerWaalsContact OD2-CA 3.24Å; D232-H260 WeakPolarHBondContact OD2-CA 3.33Å; D232-H260 IonicContact OD2-CG 3.4Å; D232-H260 IonicContact OD2-ND1 3.49Å; H260-N283 PolarHBondContact CE1-OD1 3.24Å; H260-L300 PolarHBondContact N-O 3.24Å; H260-I306 HydrophobicContact CB-CG2 4.03Å; H260-I306 WeakPolarHBondContact CE1-CD1 3.15Å; H260-I306 WeakPolarHBondContact NE2-CD1 3.38Å | ||
| 261 | Y | 93.8 | Very high | 93.3 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 4% | 0.039 | 21% | 0.207 | C | C | . | . | trans | -59 | 141.7 | 173.4 | -88.4 | -99.9 | 0 | 0 | 0 | 110.2 | Y15 D230 D232 R263 T265 L303 L327 | Y15-Y261 PolarHBondContact N-OH 3.37Å; D230-Y261 HydrophobicContact CB-CE2 4Å; D230-Y261 VanDerWaalsContact OD2-CE2 3.28Å; D230-Y261 WeakPolarHBondContact OD2-CE2 3.35Å; D230-Y261 PolarHBondContact OD2-OH 3.12Å; D232-Y261 HydrophobicContact CB-CD2 4.48Å; D232-Y261 PolarHBondContact OD2-N 3.08Å; Y261-R263 PolarHBondContact O-N 2.9Å; Y261-T265 HydrophobicContact CD1-CG2 4.42Å; Y261-T265 HydrophobicContact CD2-CG2 4.02Å; Y261-T265 HydrophobicContact CG-CG2 3.82Å; Y261-L303 WeakPolarHBondContact O-CD1 3.32Å; Y261-L327 HydrophobicContact CD1-CD2 4.26Å; Y261-L327 HydrophobicContact CE1-CD1 4.4Å; Y261-L327 HydrophobicContact CE1-CD2 4.48Å | ||
| 262 | P | 93.6 | Very high | 93 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -77 | 17.4 | 179.8 | 36.7 | -40.6 | 0 | 0 | 0 | 112.7 | Y15 T302 T324 L327 T330 | Y15-P262 HydrophobicContact CE2-CG 4.43Å; P262-T302 WeakPolarHBondContact CB-OG1 3.37Å; P262-T324 WeakPolarHBondContact CB-O 3.45Å; P262-L327 HydrophobicContact CG-CD2 3.6Å; P262-T330 HydrophobicContact CB-CG2 3.82Å; P262-T330 HydrophobicContact CG-CG2 4.12Å |
| 263 | R | 88.9 | Confident | 92.6 | Very high | 84 Ų | 84 | 42.2 Ų | 42.2 | 32% | 0.317 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -154.5 | 166.8 | -174.9 | 66.5 | -172.2 | -175.4 | -158.6 | 6.1 | 111.4 | Y261 T265 D325 | Y261-R263 PolarHBondContact O-N 2.9Å; R263-T265 PolarHBondContact O-N 3.49Å; R263-D325 HydrophobicContact CB-CB 4.04Å |
| 264 | I | 83.8 | Confident | 92.3 | Very high | 81 Ų | 81 | 44.3 Ų | 44.3 | 42% | 0.415 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -67.9 | 119.5 | 173.2 | -56 | 174.6 | 0 | 0 | 0 | 108.9 | N309 L312 | I264-N309 HydrophobicContact CD1-CB 4.31Å; I264-N309 VanDerWaalsContact CD1-O 3.31Å; I264-N309 WeakPolarHBondContact CD1-O 3.43Å; I264-L312 HydrophobicContact CG1-CD1 3.54Å; I264-L312 HydrophobicContact CG1-CG 4.43Å |
| 265 | T | 84.8 | Confident | 92 | Very high | 7 Ų | 7 | 44.5 Ų | 44.5 | 4% | 0.043 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -79.2 | 137.7 | 170.8 | 49.4 | 0 | 0 | 0 | 0 | 110.3 | Q187 Y261 R263 Y267 | Q187-T265 HydrophobicContact CG-CG2 4.3Å; Y261-T265 HydrophobicContact CD1-CG2 4.42Å; Y261-T265 HydrophobicContact CD2-CG2 4.02Å; Y261-T265 HydrophobicContact CG-CG2 3.82Å; R263-T265 PolarHBondContact O-N 3.49Å; T265-Y267 WeakPolarHBondContact OG1-CE2 3.25Å; T265-Y267 PolarHBondContact OG1-OH 2.63Å |
| 266 | S | 90.5 | Very high | 91.6 | Very high | 47 Ų | 47 | 46.3 Ų | 46.3 | 33% | 0.329 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -101.4 | 153.6 | 170 | 97.5 | 0 | 0 | 0 | 0 | 109.8 | T185 A186 Q187 | T185-S266 WeakPolarHBondContact O-CB 3.48Å; T185-S266 PolarHBondContact O-OG 3.33Å; A186-S266 WeakPolarHBondContact CA-O 3.38Å; A186-S266 VanDerWaalsContact CA-OG 3.32Å; A186-S266 WeakPolarHBondContact CA-OG 3.37Å; A186-S266 WeakPolarHBondContact CB-OG 3.1Å; Q187-S266 PolarHBondContact N-O 2.84Å |
| 267 | Y | 91.9 | Very high | 91.3 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 2% | 0.024 | 24% | 0.24 | C | C | . | . | trans | -126.6 | 147.2 | -179.9 | -57.6 | -99.5 | 0 | 0 | 0 | 109.4 | Q187 G190 D232 T265 Q269 A270 S275 I278 R279 | Q187-Y267 HydrophobicContact CB-CD1 4.09Å; Q187-Y267 HydrophobicContact CB-CE1 4.16Å; Q187-Y267 HydrophobicContact CG-CD1 4.49Å; Q187-Y267 HydrophobicContact CG-CE1 4.18Å; G190-Y267 WeakPolarHBondContact O-CD1 3.42Å; G190-Y267 WeakPolarHBondContact O-CE1 3.44Å; D232-Y267 PolarHBondContact O-OH 2.97Å; T265-Y267 WeakPolarHBondContact OG1-CE2 3.25Å; T265-Y267 PolarHBondContact OG1-OH 2.63Å; Y267-Q269 PolarHBondContact O-N 3.06Å; Y267-A270 PolarHBondContact O-N 3.02Å; Y267-A270 VanDerWaalsContact O-N 3.15Å; Y267-S275 VanDerWaalsContact CE2-O 3.3Å; Y267-S275 WeakPolarHBondContact CE2-O 3.31Å; Y267-I278 HydrophobicContact CD1-CB 4.35Å; Y267-I278 HydrophobicContact CD1-CG2 3.6Å; Y267-I278 HydrophobicContact CD2-CB 4.34Å; Y267-I278 HydrophobicContact CD2-CD1 4.46Å; Y267-I278 HydrophobicContact CD2-CG2 4.43Å; Y267-I278 HydrophobicContact CE1-CB 4.43Å; Y267-I278 HydrophobicContact CE1-CG2 3.6Å; Y267-I278 HydrophobicContact CE2-CB 4.42Å; Y267-I278 HydrophobicContact CE2-CG2 4.43Å; Y267-I278 HydrophobicContact CG-CB 4.31Å; Y267-I278 HydrophobicContact CG-CD1 4.02Å; Y267-I278 HydrophobicContact CG-CG2 4.04Å; Y267-R279 HydrophobicContact CE2-CB 4.39Å; Y267-R279 WeakPolarHBondContact OH-CB 3.41Å | ||
| 268 | P | 87.3 | Confident | 91 | Very high | 73 Ų | 73 | 47.5 Ų | 47.5 | 47% | 0.474 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 133.3 | 177.1 | -27 | 34.7 | 0 | 0 | 0 | 111.7 | Q187 A270 | Q187-P268 WeakPolarHBondContact O-CD 3.33Å; P268-A270 PolarHBondContact O-N 3.33Å; P268-A270 VanDerWaalsContact O-N 3.12Å |
| 269 | Q | 84.9 | Confident | 90.7 | Very high | 159 Ų | 159 | 47.8 Ų | 47.8 | 74% | 0.743 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 18.9 | 177.1 | -53.8 | 172.4 | -16.7 | 0 | 0 | 114.8 | Y267 | Y267-Q269 PolarHBondContact O-N 3.06Š|
| 270 | A | 89.8 | Confident | 90.5 | Very high | 23 Ų | 23 | 47.9 Ų | 47.9 | 19% | 0.19 | 24% | 0.242 | C | C | . | . | trans | -116.7 | 132.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y267 P268 L274 I278 | Y267-A270 PolarHBondContact O-N 3.02Å; Y267-A270 VanDerWaalsContact O-N 3.15Å; P268-A270 PolarHBondContact O-N 3.33Å; P268-A270 VanDerWaalsContact O-N 3.12Å; A270-L274 HydrophobicContact CB-CB 3.82Å; A270-I278 HydrophobicContact CB-CD1 3.93Å | ||
| 271 | D | 90.7 | Very high | 90.4 | Very high | 97 Ų | 97 | 47.9 Ų | 47.9 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | trans | -72.5 | 179.1 | 166.3 | 72.9 | 16 | 0 | 0 | 0 | 111.1 | R273 L274 S275 | D271-R273 PolarHBondContact O-N 2.82Å; D271-R273 WeakPolarHBondContact OD1-CA 3.33Å; D271-R273 WeakPolarHBondContact OD1-CB 3.3Å; D271-R273 PolarHBondContact OD1-N 3.16Å; D271-L274 PolarHBondContact O-N 3.07Å; D271-L274 WeakPolarHBondContact OD1-CG 3.4Å; D271-L274 PolarHBondContact OD1-N 2.88Å; D271-S275 WeakPolarHBondContact O-CB 3.37Å; D271-S275 PolarHBondContact O-N 2.87Å; D271-S275 PolarHBondContact O-OG 3.44Å | ||
| 272 | T | 88.2 | Confident | 90.5 | Very high | 85 Ų | 85 | 47.4 Ų | 47.4 | 52% | 0.521 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.2 | -32.7 | 179.7 | -49.5 | 0 | 0 | 0 | 0 | 113.3 | H276 N309 | T272-H276 PolarHBondContact O-N 3.32Å; T272-H276 VanDerWaalsContact O-N 3.14Å; T272-N309 PolarHBondContact O-ND2 3.41Å |
| 273 | R | 89 | Confident | 90.6 | Very high | 201 Ų | 201 | 47.2 Ų | 47.2 | 76% | 0.758 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -80.9 | -41 | -177.3 | -175.6 | -176.9 | -178.8 | -179.1 | 2.2 | 111.5 | D271 H276 S277 | D271-R273 PolarHBondContact O-N 2.82Å; D271-R273 WeakPolarHBondContact OD1-CA 3.33Å; D271-R273 WeakPolarHBondContact OD1-CB 3.3Å; D271-R273 PolarHBondContact OD1-N 3.16Å; R273-H276 WeakPolarHBondContact O-CB 3.07Å; R273-H276 PolarHBondContact O-N 2.86Å; R273-S277 PolarHBondContact O-N 3.25Å; R273-S277 VanDerWaalsContact O-N 3.14Å; R273-S277 PolarHBondContact O-OG 3.45Å |
| 274 | L | 91 | Very high | 90.9 | Very high | 53 Ų | 53 | 43.2 Ų | 43.2 | 28% | 0.277 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.9 | -41 | 173.6 | -66.2 | 176.7 | 0 | 0 | 0 | 110.3 | A270 D271 H276 S277 I278 L541 | A270-L274 HydrophobicContact CB-CB 3.82Å; D271-L274 PolarHBondContact O-N 3.07Å; D271-L274 WeakPolarHBondContact OD1-CG 3.4Å; D271-L274 PolarHBondContact OD1-N 2.88Å; L274-H276 VanDerWaalsContact C-N 3.32Å; L274-H276 PolarHBondContact O-N 3.4Å; L274-S277 WeakPolarHBondContact O-CA 3.39Å; L274-S277 WeakPolarHBondContact O-CB 3.41Å; L274-S277 PolarHBondContact O-N 2.91Å; L274-I278 WeakPolarHBondContact O-CG1 3.37Å; L274-I278 PolarHBondContact O-N 3.26Å; L274-L541 HydrophobicContact CD2-CD2 3.85Å |
| 275 | S | 91.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.028 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.8 | -44.1 | 174 | -64.6 | 0 | 0 | 0 | 0 | 111.9 | Y267 D271 S277 I278 R279 | Y267-S275 VanDerWaalsContact CE2-O 3.3Å; Y267-S275 WeakPolarHBondContact CE2-O 3.31Å; D271-S275 WeakPolarHBondContact O-CB 3.37Å; D271-S275 PolarHBondContact O-N 2.87Å; D271-S275 PolarHBondContact O-OG 3.44Å; S275-S277 VanDerWaalsContact C-N 3.3Å; S275-S277 PolarHBondContact O-N 3.3Å; S275-I278 PolarHBondContact O-N 2.89Å; S275-R279 PolarHBondContact O-N 2.78Å |
| 276 | H | 91 | Very high | 92.2 | Very high | 37 Ų | 37 | 40 Ų | 40 | 17% | 0.171 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.8 | -45.9 | 172.4 | -176 | 50 | 0 | 0 | 0 | 112.1 | T272 R273 L274 R279 V280 W307 N309 | T272-H276 PolarHBondContact O-N 3.32Å; T272-H276 VanDerWaalsContact O-N 3.14Å; R273-H276 WeakPolarHBondContact O-CB 3.07Å; R273-H276 PolarHBondContact O-N 2.86Å; L274-H276 VanDerWaalsContact C-N 3.32Å; L274-H276 PolarHBondContact O-N 3.4Å; H276-R279 PolarHBondContact ND1-NH2 3.15Å; H276-R279 PolarHBondContact O-N 3.46Å; H276-V280 WeakPolarHBondContact O-CG2 3.09Å; H276-V280 PolarHBondContact O-N 2.81Å; H276-W307 PolarHBondContact CE1-O 3.46Å; H276-W307 PolarHBondContact NE2-O 3.49Å; H276-N309 VanDerWaalsContact CB-ND2 3.3Å; H276-N309 WeakPolarHBondContact CB-ND2 3.28Å; H276-N309 PolarHBondContact ND1-OD1 3.39Å |
| 277 | S | 92.5 | Very high | 92.6 | Very high | 22 Ų | 22 | 37.7 Ų | 37.7 | 15% | 0.154 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.8 | -42.3 | -177.5 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | R273 L274 S275 V280 V281 | R273-S277 PolarHBondContact O-N 3.25Å; R273-S277 VanDerWaalsContact O-N 3.14Å; R273-S277 PolarHBondContact O-OG 3.45Å; L274-S277 WeakPolarHBondContact O-CA 3.39Å; L274-S277 WeakPolarHBondContact O-CB 3.41Å; L274-S277 PolarHBondContact O-N 2.91Å; S275-S277 VanDerWaalsContact C-N 3.3Å; S275-S277 PolarHBondContact O-N 3.3Å; S277-V280 PolarHBondContact O-N 3.37Å; S277-V281 VanDerWaalsContact O-CG2 3.26Å; S277-V281 WeakPolarHBondContact O-CG2 3.32Å; S277-V281 PolarHBondContact O-N 3.02Å |
| 278 | I | 93.2 | Very high | 92.8 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.1 | -49.1 | 175.5 | -66.1 | 166.7 | 0 | 0 | 0 | 110.5 | T191 Y267 A270 L274 S275 V280 V281 N282 L541 A543 Y544 | T191-I278 HydrophobicContact CG2-CG2 4.2Å; Y267-I278 HydrophobicContact CD1-CB 4.35Å; Y267-I278 HydrophobicContact CD1-CG2 3.6Å; Y267-I278 HydrophobicContact CD2-CB 4.34Å; Y267-I278 HydrophobicContact CD2-CD1 4.46Å; Y267-I278 HydrophobicContact CD2-CG2 4.43Å; Y267-I278 HydrophobicContact CE1-CB 4.43Å; Y267-I278 HydrophobicContact CE1-CG2 3.6Å; Y267-I278 HydrophobicContact CE2-CB 4.42Å; Y267-I278 HydrophobicContact CE2-CG2 4.43Å; Y267-I278 HydrophobicContact CG-CB 4.31Å; Y267-I278 HydrophobicContact CG-CD1 4.02Å; Y267-I278 HydrophobicContact CG-CG2 4.04Å; A270-I278 HydrophobicContact CB-CD1 3.93Å; L274-I278 WeakPolarHBondContact O-CG1 3.37Å; L274-I278 PolarHBondContact O-N 3.26Å; S275-I278 PolarHBondContact O-N 2.89Å; I278-V280 VanDerWaalsContact C-N 3.32Å; I278-V280 PolarHBondContact O-N 3.5Å; I278-V281 PolarHBondContact O-N 3.29Å; I278-N282 PolarHBondContact O-N 3.08Å; I278-L541 HydrophobicContact CG1-CD1 4.32Å; I278-L541 HydrophobicContact CG1-CD2 4.3Å; I278-A543 HydrophobicContact CD1-CB 4.19Å; I278-Y544 HydrophobicContact CG2-CE2 4.06Å |
| 279 | R | 93.2 | Very high | 93.3 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.7 | -45.2 | 178.5 | -168.9 | 179.1 | 70.9 | -138.3 | -2 | 112 | D232 Y267 S275 H276 V281 N282 N283 I306 N309 | D232-R279 HydrophobicContact CB-CG 3.91Å; D232-R279 VanDerWaalsContact OD1-CD 3.32Å; D232-R279 WeakPolarHBondContact OD1-CD 3.4Å; D232-R279 VanDerWaalsContact OD1-CG 3.3Å; D232-R279 WeakPolarHBondContact OD1-CG 3.38Å; Y267-R279 HydrophobicContact CE2-CB 4.39Å; Y267-R279 WeakPolarHBondContact OH-CB 3.41Å; S275-R279 PolarHBondContact O-N 2.78Å; H276-R279 PolarHBondContact ND1-NH2 3.15Å; H276-R279 PolarHBondContact O-N 3.46Å; R279-V281 VanDerWaalsContact C-N 3.34Å; R279-V281 PolarHBondContact O-N 2.75Å; R279-N282 WeakPolarHBondContact O-CB 3.3Å; R279-N282 PolarHBondContact O-N 3.37Å; R279-N283 PolarHBondContact O-N 3.32Å; R279-N283 PolarHBondContact O-ND2 2.75Å; R279-I306 PolarHBondContact NH2-O 2.76Å; R279-N309 PolarHBondContact NH1-OD1 3.35Å; R279-N309 PolarHBondContact NH2-OD1 2.85Å |
| 280 | V | 92.8 | Very high | 94 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.7 | -34.7 | -179.5 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | H276 S277 I278 N283 V284 Q532 | H276-V280 WeakPolarHBondContact O-CG2 3.09Å; H276-V280 PolarHBondContact O-N 2.81Å; S277-V280 PolarHBondContact O-N 3.37Å; I278-V280 VanDerWaalsContact C-N 3.32Å; I278-V280 PolarHBondContact O-N 3.5Å; V280-N283 WeakPolarHBondContact O-CB 3.33Å; V280-N283 PolarHBondContact O-N 2.85Å; V280-V284 PolarHBondContact O-N 3Å; V280-Q532 HydrophobicContact CG1-CB 4.35Å |
| 281 | V | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.4 | -44.2 | 172.4 | 178.2 | 0 | 0 | 0 | 0 | 111 | S277 I278 R279 N283 V284 L285 V536 L538 L541 Y544 L549 Y554 | S277-V281 VanDerWaalsContact O-CG2 3.26Å; S277-V281 WeakPolarHBondContact O-CG2 3.32Å; S277-V281 PolarHBondContact O-N 3.02Å; I278-V281 PolarHBondContact O-N 3.29Å; R279-V281 VanDerWaalsContact C-N 3.34Å; R279-V281 PolarHBondContact O-N 2.75Å; V281-N283 PolarHBondContact O-N 2.89Å; V281-V284 PolarHBondContact O-N 3.15Å; V281-L285 HydrophobicContact CG1-CD1 4.07Å; V281-L285 HydrophobicContact CG1-CG 4.48Å; V281-L285 WeakPolarHBondContact O-CG 3.03Å; V281-L285 PolarHBondContact O-N 3.36Å; V281-L285 VanDerWaalsContact O-N 3.11Å; V281-V536 HydrophobicContact CG2-CB 4.31Å; V281-V536 HydrophobicContact CG2-CG1 3.7Å; V281-L538 HydrophobicContact CG1-CD2 4.15Å; V281-L538 HydrophobicContact CG2-CD2 3.83Å; V281-L541 HydrophobicContact CG2-CD1 3.99Å; V281-Y544 HydrophobicContact CB-CD2 4.46Å; V281-Y544 HydrophobicContact CB-CE2 3.67Å; V281-Y544 HydrophobicContact CG1-CD2 4.18Å; V281-Y544 HydrophobicContact CG1-CE1 3.93Å; V281-Y544 HydrophobicContact CG1-CE2 3.51Å; V281-Y544 WeakPolarHBondContact CG1-OH 3.47Å; V281-Y544 HydrophobicContact CG2-CE2 4.49Å; V281-L549 HydrophobicContact CG1-CD2 3.98Å; V281-Y554 HydrophobicContact CB-CE2 4.22Å; V281-Y554 HydrophobicContact CG1-CD2 4.02Å; V281-Y554 HydrophobicContact CG1-CE2 3.76Å; V281-Y554 HydrophobicContact CG2-CE2 4.01Å |
| 282 | N | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -53.9 | -41.8 | 173.8 | -69.9 | -17.4 | 0 | 0 | 0 | 110.9 | G190 T191 Y192 D232 D233 I278 R279 G286 Y544 | G190-N282 PolarHBondContact O-ND2 2.81Å; T191-N282 WeakPolarHBondContact CA-OD1 3.36Å; Y192-N282 PolarHBondContact N-OD1 3.23Å; D232-N282 PolarHBondContact O-ND2 2.81Å; D233-N282 WeakPolarHBondContact CA-ND2 3.35Å; I278-N282 PolarHBondContact O-N 3.08Å; R279-N282 WeakPolarHBondContact O-CB 3.3Å; R279-N282 PolarHBondContact O-N 3.37Å; N282-G286 PolarHBondContact O-N 3.17Å; N282-Y544 PolarHBondContact N-OH 2.97Å; N282-Y544 PolarHBondContact OD1-OH 2.71Å |
| 283 | N | 95.5 | Very high | 95 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64 | -48.9 | 177.4 | -87.9 | -84.9 | 0 | 0 | 0 | 113.3 | D232 H260 R279 V280 V281 L285 G286 Y287 | D232-N283 PolarHBondContact OD1-ND2 3.37Å; H260-N283 PolarHBondContact CE1-OD1 3.24Å; R279-N283 PolarHBondContact O-N 3.32Å; R279-N283 PolarHBondContact O-ND2 2.75Å; V280-N283 WeakPolarHBondContact O-CB 3.33Å; V280-N283 PolarHBondContact O-N 2.85Å; V281-N283 PolarHBondContact O-N 2.89Å; N283-L285 VanDerWaalsContact C-N 3.31Å; N283-L285 PolarHBondContact O-N 3.36Å; N283-G286 PolarHBondContact O-N 2.85Å; N283-Y287 WeakPolarHBondContact O-CD2 3.21Å; N283-Y287 PolarHBondContact O-N 3.37Å |
| 284 | V | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56.5 | -48 | 177.9 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | V280 V281 G286 Y287 H288 V529 S533 Y554 A557 L558 | V280-V284 PolarHBondContact O-N 3Å; V281-V284 PolarHBondContact O-N 3.15Å; V284-G286 PolarHBondContact O-N 3.14Å; V284-Y287 PolarHBondContact O-N 3.08Å; V284-H288 WeakPolarHBondContact O-CB 3.44Å; V284-H288 PolarHBondContact O-N 3.11Å; V284-V529 HydrophobicContact CG2-CG1 3.96Å; V284-S533 VanDerWaalsContact CG2-OG 3.28Å; V284-S533 WeakPolarHBondContact CG2-OG 3.38Å; V284-Y554 HydrophobicContact CB-CE2 3.95Å; V284-Y554 HydrophobicContact CG1-CD2 4.41Å; V284-Y554 HydrophobicContact CG1-CE2 3.86Å; V284-Y554 HydrophobicContact CG2-CE2 4.27Å; V284-A557 HydrophobicContact CG1-CB 3.98Å; V284-L558 HydrophobicContact CG1-CD2 3.87Å; V284-L558 HydrophobicContact CG1-CG 4.23Å; V284-L558 HydrophobicContact CG2-CD2 3.97Å |
| 285 | L | 97.7 | Very high | 95.8 | Very high | 17 Ų | 17 | 17 Ų | 17 | 9% | 0.089 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.2 | -40.1 | 179.5 | -62.5 | 175.1 | 0 | 0 | 0 | 111.8 | Y192 V281 N283 Q289 Y544 L549 A557 | Y192-L285 HydrophobicContact CD1-CB 3.78Å; Y192-L285 HydrophobicContact CD1-CD1 3.92Å; Y192-L285 HydrophobicContact CD1-CG 4.45Å; Y192-L285 HydrophobicContact CD2-CB 3.71Å; Y192-L285 HydrophobicContact CE1-CB 4.09Å; Y192-L285 HydrophobicContact CE2-CB 4.03Å; Y192-L285 HydrophobicContact CG-CB 3.59Å; Y192-L285 HydrophobicContact CG-CD1 3.92Å; Y192-L285 HydrophobicContact CG-CG 4.42Å; V281-L285 HydrophobicContact CG1-CD1 4.07Å; V281-L285 HydrophobicContact CG1-CG 4.48Å; V281-L285 WeakPolarHBondContact O-CG 3.03Å; V281-L285 PolarHBondContact O-N 3.36Å; V281-L285 VanDerWaalsContact O-N 3.11Å; N283-L285 VanDerWaalsContact C-N 3.31Å; N283-L285 PolarHBondContact O-N 3.36Å; L285-Q289 PolarHBondContact O-N 2.87Å; L285-Y544 HydrophobicContact CD1-CE1 4.06Å; L285-L549 HydrophobicContact CD1-CD1 4.41Å; L285-L549 HydrophobicContact CD1-CD2 4.09Å; L285-A557 HydrophobicContact CD2-CB 3.87Å |
| 286 | G | 97.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.6 | -46.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N282 N283 V284 Q289 L290 | N282-G286 PolarHBondContact O-N 3.17Å; N283-G286 PolarHBondContact O-N 2.85Å; V284-G286 PolarHBondContact O-N 3.14Å; G286-Q289 PolarHBondContact O-N 2.84Å; G286-L290 WeakPolarHBondContact O-CB 3.31Å; G286-L290 WeakPolarHBondContact O-CG 3.34Å; G286-L290 PolarHBondContact O-N 2.73Å |
| 287 | Y | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.7 | -38.1 | 179.6 | -85.1 | -109.5 | 0 | 0 | 0 | 112.4 | I231 N283 V284 L290 S291 F297 P299 M368 H525 L526 | I231-Y287 HydrophobicContact CD1-CD2 3.74Å; I231-Y287 HydrophobicContact CD1-CE2 3.66Å; N283-Y287 WeakPolarHBondContact O-CD2 3.21Å; N283-Y287 PolarHBondContact O-N 3.37Å; V284-Y287 PolarHBondContact O-N 3.08Å; Y287-L290 PolarHBondContact O-N 2.92Å; Y287-S291 WeakPolarHBondContact O-CB 3.24Å; Y287-S291 PolarHBondContact O-N 2.99Å; Y287-S291 PolarHBondContact O-OG 2.64Å; Y287-F297 AromaticContact CD1-CE2 3.84Å; Y287-F297 HydrophobicContact CD1-CE2 3.84Å; Y287-F297 HydrophobicContact CD1-CZ 4.14Å; Y287-F297 AromaticContact CE1-CE2 3.83Å; Y287-F297 HydrophobicContact CE1-CE2 3.83Å; Y287-P299 HydrophobicContact CE1-CG 4.1Å; Y287-P299 WeakPolarHBondContact OH-CB 3.3Å; Y287-P299 WeakPolarHBondContact OH-CG 3.37Å; Y287-M368 HydrophobicContact CE1-SD 3.99Å; Y287-H525 AromaticContact CE1-CD2 3.83Å; Y287-H525 AromaticContact CE1-NE2 3.59Å; Y287-H525 AromaticContact CZ-NE2 3.4Å; Y287-H525 PolarHBondContact OH-NE2 3.02Å; Y287-L526 HydrophobicContact CD1-CD2 3.75Å; Y287-L526 HydrophobicContact CE1-CD2 4.15Å |
| 288 | H | 97.3 | Very high | 96.8 | Very high | 43 Ų | 43 | 14 Ų | 14 | 20% | 0.199 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.2 | -53.9 | 171.2 | 170.9 | -173.6 | 0 | 0 | 0 | 110.3 | V284 L290 S291 E292 A557 | V284-H288 WeakPolarHBondContact O-CB 3.44Å; V284-H288 PolarHBondContact O-N 3.11Å; H288-L290 VanDerWaalsContact C-N 3.27Å; H288-L290 PolarHBondContact O-N 3.3Å; H288-S291 PolarHBondContact O-N 2.69Å; H288-S291 VanDerWaalsContact O-N 3.12Å; H288-S291 PolarHBondContact O-OG 3.29Å; H288-E292 PolarHBondContact O-N 2.93Å; H288-A557 HydrophobicContact CB-CB 4.26Å; H288-A557 WeakPolarHBondContact ND1-CA 3.29Å; H288-A557 VanDerWaalsContact ND1-CB 3.35Å; H288-A557 WeakPolarHBondContact ND1-CB 3.14Å |
| 289 | Q | 97.9 | Very high | 97 | Very high | 25 Ų | 25 | 13.8 Ų | 13.8 | 12% | 0.117 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.4 | -36 | -178.6 | -170.8 | 70 | 3.9 | 0 | 0 | 112.3 | Y192 G240 E244 L285 G286 E292 Q293 | Y192-Q289 WeakPolarHBondContact OH-CB 3.34Å; Y192-Q289 WeakPolarHBondContact OH-CG 3.32Å; G240-Q289 PolarHBondContact O-NE2 3.12Å; E244-Q289 PolarHBondContact OE2-NE2 3.28Å; E244-Q289 VanDerWaalsContact OE2-NE2 3.11Å; L285-Q289 PolarHBondContact O-N 2.87Å; G286-Q289 PolarHBondContact O-N 2.84Å; Q289-E292 PolarHBondContact O-N 2.96Å; Q289-Q293 HydrophobicContact CG-CG 4.08Å; Q289-Q293 VanDerWaalsContact NE2-CG 3.31Å; Q289-Q293 WeakPolarHBondContact O-CB 3.47Å; Q289-Q293 WeakPolarHBondContact O-CG 3.3Å; Q289-Q293 PolarHBondContact O-N 3.37Å |
| 290 | L | 98.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66 | -37.9 | 175 | -76.5 | 170.9 | 0 | 0 | 0 | 112.9 | F229 I231 L243 A256 P258 G286 Y287 H288 E292 A294 F297 | F229-L290 HydrophobicContact CE1-CD2 3.93Å; F229-L290 HydrophobicContact CZ-CD1 3.86Å; F229-L290 HydrophobicContact CZ-CD2 3.87Å; F229-L290 HydrophobicContact CZ-CG 4.01Å; I231-L290 HydrophobicContact CD1-CD1 4.39Å; L243-L290 HydrophobicContact CD1-CD2 4.02Å; A256-L290 HydrophobicContact CB-CD2 3.6Å; P258-L290 HydrophobicContact CB-CD1 4.09Å; P258-L290 HydrophobicContact CG-CD1 3.7Å; G286-L290 WeakPolarHBondContact O-CB 3.31Å; G286-L290 WeakPolarHBondContact O-CG 3.34Å; G286-L290 PolarHBondContact O-N 2.73Å; Y287-L290 PolarHBondContact O-N 2.92Å; H288-L290 VanDerWaalsContact C-N 3.27Å; H288-L290 PolarHBondContact O-N 3.3Å; L290-E292 PolarHBondContact O-N 2.73Å; L290-A294 HydrophobicContact CD2-CB 3.97Å; L290-A294 VanDerWaalsContact O-CB 3.31Å; L290-A294 WeakPolarHBondContact O-CB 3.38Å; L290-A294 PolarHBondContact O-N 3.32Å; L290-F297 HydrophobicContact CB-CD1 3.77Å; L290-F297 HydrophobicContact CB-CD2 4.34Å; L290-F297 HydrophobicContact CB-CE1 3.84Å; L290-F297 HydrophobicContact CB-CE2 4.4Å; L290-F297 HydrophobicContact CB-CG 4Å; L290-F297 HydrophobicContact CB-CZ 4.14Å; L290-F297 HydrophobicContact CD1-CB 4.31Å; L290-F297 HydrophobicContact CD1-CD2 3.81Å; L290-F297 HydrophobicContact CD1-CE2 4.18Å; L290-F297 HydrophobicContact CD1-CG 4.02Å; L290-F297 HydrophobicContact CD2-CB 3.99Å; L290-F297 HydrophobicContact CD2-CG 4.29Å; L290-F297 HydrophobicContact CG-CG 4.36Å |
| 291 | S | 96.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 13.4 Ų | 13.4 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.7 | -29.7 | 177.7 | 66 | 0 | 0 | 0 | 0 | 112 | Y287 H288 K367 | Y287-S291 WeakPolarHBondContact O-CB 3.24Å; Y287-S291 PolarHBondContact O-N 2.99Å; Y287-S291 PolarHBondContact O-OG 2.64Å; H288-S291 PolarHBondContact O-N 2.69Å; H288-S291 VanDerWaalsContact O-N 3.12Å; H288-S291 PolarHBondContact O-OG 3.29Å; S291-K367 WeakPolarHBondContact O-CD 3.39Å; S291-K367 WeakPolarHBondContact O-CE 3.47Å; S291-K367 PolarHBondContact O-NZ 2.75Å |
| 292 | E | 96.2 | Very high | 97.6 | Very high | 99 Ų | 99 | 13.4 Ų | 13.4 | 46% | 0.463 | 7% | 0.066 | S | C | . | . | H | α-helix | trans | -81.6 | -53.4 | 175 | -66.8 | -53.3 | 105.7 | 0 | 0 | 111.5 | H288 Q289 L290 K367 | H288-E292 PolarHBondContact O-N 2.93Å; Q289-E292 PolarHBondContact O-N 2.96Å; L290-E292 PolarHBondContact O-N 2.73Å; E292-K367 PolarHBondContact O-NZ 2.63Å |
| 293 | Q | 97.6 | Very high | 97.6 | Very high | 37 Ų | 37 | 13.8 Ų | 13.8 | 17% | 0.173 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -94.3 | -30.8 | -164 | -53.9 | -58.3 | -18.8 | 0 | 0 | 114.8 | L243 E244 N247 Q289 | L243-Q293 HydrophobicContact CB-CB 3.88Å; E244-Q293 HydrophobicContact CB-CG 4.35Å; N247-Q293 VanDerWaalsContact ND2-CA 3.28Å; N247-Q293 WeakPolarHBondContact ND2-CA 3.38Å; N247-Q293 WeakPolarHBondContact ND2-CB 3.33Å; N247-Q293 PolarHBondContact ND2-O 3.02Å; N247-Q293 PolarHBondContact ND2-OE1 2.87Å; Q289-Q293 HydrophobicContact CG-CG 4.08Å; Q289-Q293 VanDerWaalsContact NE2-CG 3.31Å; Q289-Q293 WeakPolarHBondContact O-CB 3.47Å; Q289-Q293 WeakPolarHBondContact O-CG 3.3Å; Q289-Q293 PolarHBondContact O-N 3.37Å |
| 294 | A | 98 | Very high | 97.5 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 2% | 0.017 | 9% | 0.086 | C | C | . | . | trans | -78.8 | 142.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A256 L290 F297 K367 | A256-A294 HydrophobicContact CB-CB 4.19Å; L290-A294 HydrophobicContact CD2-CB 3.97Å; L290-A294 VanDerWaalsContact O-CB 3.31Å; L290-A294 WeakPolarHBondContact O-CB 3.38Å; L290-A294 PolarHBondContact O-N 3.32Å; A294-F297 HydrophobicContact CB-CB 4.19Å; A294-F297 HydrophobicContact CB-CD1 4.17Å; A294-K367 VanDerWaalsContact O-CD 3.28Å; A294-K367 WeakPolarHBondContact O-CD 3.05Å; A294-K367 WeakPolarHBondContact O-CE 3.41Å | ||
| 295 | L | 98 | Very high | 97.2 | Very high | 50 Ų | 50 | 19.9 Ų | 19.9 | 26% | 0.262 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -71.4 | -40.4 | 165.6 | 177 | 65.2 | 0 | 0 | 0 | 109.9 | A253 S254 L355 C358 | A253-L295 HydrophobicContact CB-CD2 3.51Å; S254-L295 WeakPolarHBondContact O-CB 3.27Å; S254-L295 PolarHBondContact O-N 3.26Å; S254-L295 VanDerWaalsContact O-N 3.08Å; L295-L355 HydrophobicContact CD2-CD1 3.61Å; L295-C358 HydrophobicContact CD2-CB 3.55Å; L295-C358 HydrophobicContact CG-CB 3.89Å |
| 296 | M | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 144 | 173.7 | -177.5 | 173 | 75.4 | 0 | 0 | 109.3 | S254 F255 A256 F357 C358 V361 T362 K367 T369 V516 | S254-M296 PolarHBondContact O-N 3.26Å; F255-M296 WeakPolarHBondContact CA-O 3.39Å; F255-M296 HydrophobicContact CD1-CE 4.03Å; F255-M296 HydrophobicContact CD2-CB 4.33Å; F255-M296 HydrophobicContact CD2-CE 3.49Å; F255-M296 VanDerWaalsContact CD2-CE 3.49Å; F255-M296 HydrophobicContact CD2-CG 4.27Å; F255-M296 HydrophobicContact CE1-CE 4.03Å; F255-M296 HydrophobicContact CE2-CE 3.54Å; F255-M296 HydrophobicContact CE2-CG 4.46Å; F255-M296 HydrophobicContact CG-CE 3.78Å; F255-M296 HydrophobicContact CZ-CE 3.79Å; A256-M296 PolarHBondContact N-O 3.21Å; M296-F357 HydrophobicContact CE-CD1 3.98Å; M296-F357 HydrophobicContact CE-CE1 3.5Å; M296-F357 VanDerWaalsContact CE-CE1 3.5Å; M296-F357 HydrophobicContact CE-CZ 4.37Å; M296-C358 HydrophobicContact CB-CB 4.11Å; M296-C358 HydrophobicContact SD-CB 4.41Å; M296-V361 HydrophobicContact CE-CG2 4.33Å; M296-V361 HydrophobicContact SD-CG2 3.27Å; M296-V361 WeakPolarHBondContact SD-CG2 3.36Å; M296-T362 HydrophobicContact CB-CG2 3.89Å; M296-T362 HydrophobicContact CG-CG2 3.67Å; M296-T362 HydrophobicContact SD-CG2 3.83Å; M296-K367 CarbonylContact C-O 3.6Å; M296-K367 VanDerWaalsContact CA-O 3.3Å; M296-K367 WeakPolarHBondContact CA-O 3.45Å; M296-T369 HydrophobicContact CG-CG2 4.08Å; M296-T369 HydrophobicContact SD-CG2 3.89Å; M296-V516 HydrophobicContact CE-CG1 4.19Å; M296-V516 HydrophobicContact SD-CG1 4.02Å |
| 297 | F | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 140.3 | 169.5 | 67.9 | -89.3 | 0 | 0 | 0 | 113.1 | A256 P258 Y287 L290 A294 P299 K367 M368 T369 F564 | A256-F297 HydrophobicContact CB-CB 3.99Å; A256-F297 CarbonylContact O-C 3.59Å; A256-F297 WeakPolarHBondContact O-CA 3.35Å; P258-F297 HydrophobicContact CG-CD2 4.38Å; Y287-F297 AromaticContact CD1-CE2 3.84Å; Y287-F297 HydrophobicContact CD1-CE2 3.84Å; Y287-F297 HydrophobicContact CD1-CZ 4.14Å; Y287-F297 AromaticContact CE1-CE2 3.83Å; Y287-F297 HydrophobicContact CE1-CE2 3.83Å; L290-F297 HydrophobicContact CB-CD1 3.77Å; L290-F297 HydrophobicContact CB-CD2 4.34Å; L290-F297 HydrophobicContact CB-CE1 3.84Å; L290-F297 HydrophobicContact CB-CE2 4.4Å; L290-F297 HydrophobicContact CB-CG 4Å; L290-F297 HydrophobicContact CB-CZ 4.14Å; L290-F297 HydrophobicContact CD1-CB 4.31Å; L290-F297 HydrophobicContact CD1-CD2 3.81Å; L290-F297 HydrophobicContact CD1-CE2 4.18Å; L290-F297 HydrophobicContact CD1-CG 4.02Å; L290-F297 HydrophobicContact CD2-CB 3.99Å; L290-F297 HydrophobicContact CD2-CG 4.29Å; L290-F297 HydrophobicContact CG-CG 4.36Å; A294-F297 HydrophobicContact CB-CB 4.19Å; A294-F297 HydrophobicContact CB-CD1 4.17Å; F297-P299 HydrophobicContact CD2-CG 4.12Å; F297-P299 HydrophobicContact CE2-CG 4.29Å; F297-K367 HydrophobicContact CD1-CB 4.2Å; F297-K367 HydrophobicContact CE1-CB 4.09Å; F297-K367 PolarHBondContact N-O 3.21Å; F297-M368 HydrophobicContact CD2-CB 4.32Å; F297-M368 HydrophobicContact CD2-CG 4.17Å; F297-M368 HydrophobicContact CE1-CB 4.03Å; F297-M368 HydrophobicContact CE2-CB 3.67Å; F297-M368 HydrophobicContact CE2-CG 3.58Å; F297-M368 HydrophobicContact CE2-SD 4.25Å; F297-M368 HydrophobicContact CZ-CB 3.52Å; F297-M368 HydrophobicContact CZ-CG 3.97Å; F297-M368 WeakPolarHBondContact O-CA 3.47Å; F297-T369 PolarHBondContact O-N 3.25Å; F297-T369 PolarHBondContact O-OG1 3.09Å; F297-F564 HydrophobicContact CE1-CE1 4.03Å; F297-F564 AromaticContact CE1-CZ 3.9Å; F297-F564 HydrophobicContact CE1-CZ 3.9Å; F297-F564 AromaticContact CZ-CE1 3.74Å; F297-F564 HydrophobicContact CZ-CE1 3.74Å; F297-F564 HydrophobicContact CZ-CZ 4.06Å |
| 298 | T | 98.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -124.5 | 104.1 | 178.4 | -56.3 | 0 | 0 | 0 | 0 | 110.1 | F255 A256 L257 L300 F337 T369 A371 | F255-T298 WeakPolarHBondContact CE2-OG1 3.26Å; A256-T298 PolarHBondContact O-N 2.93Å; L257-T298 WeakPolarHBondContact CD2-O 3.35Å; T298-L300 HydrophobicContact CG2-CD2 3.97Å; T298-F337 HydrophobicContact CG2-CZ 4.42Å; T298-T369 PolarHBondContact OG1-OG1 3Å; T298-A371 HydrophobicContact CG2-CB 3.64Å | ||
| 299 | P | 98.6 | Very high | 93 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -67.1 | 135.2 | 176 | -15.6 | 28.9 | 0 | 0 | 0 | 111.6 | P258 Y287 F297 M368 T369 T402 | P258-P299 HydrophobicContact CG-CB 3.92Å; P258-P299 HydrophobicContact CG-CG 3.96Å; P258-P299 WeakPolarHBondContact O-CA 3.49Å; Y287-P299 HydrophobicContact CE1-CG 4.1Å; Y287-P299 WeakPolarHBondContact OH-CB 3.3Å; Y287-P299 WeakPolarHBondContact OH-CG 3.37Å; F297-P299 HydrophobicContact CD2-CG 4.12Å; F297-P299 HydrophobicContact CE2-CG 4.29Å; P299-M368 HydrophobicContact CG-CE 4.16Å; P299-T369 WeakPolarHBondContact CD-O 3.26Å; P299-T402 HydrophobicContact CB-CG2 4.08Å; P299-T402 HydrophobicContact CG-CG2 4.24Å; P299-T402 VanDerWaalsContact O-CA 3.3Å; P299-T402 WeakPolarHBondContact O-CA 3.49Å; P299-T402 VanDerWaalsContact O-CB 3.31Å; P299-T402 WeakPolarHBondContact O-CB 3.36Å; P299-T402 WeakPolarHBondContact O-CG2 3.47Å; P299-T402 PolarHBondContact O-OG1 3.18Å | ||
| 300 | L | 98.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -125 | 136.9 | -175.5 | -63.2 | -179.5 | 0 | 0 | 0 | 111.9 | L257 P258 L259 H260 T298 L334 F337 A371 L401 | L257-L300 HydrophobicContact CB-CD1 4.45Å; L257-L300 HydrophobicContact CD1-CD1 4.01Å; L257-L300 HydrophobicContact CD2-CD1 3.93Å; L257-L300 HydrophobicContact CD2-CG 4.29Å; L257-L300 HydrophobicContact CG-CD1 4.37Å; P258-L300 PolarHBondContact O-N 3.45Å; L259-L300 HydrophobicContact CD2-CB 3.86Å; L259-L300 HydrophobicContact CD2-CD1 4.07Å; L259-L300 HydrophobicContact CD2-CG 4.43Å; H260-L300 PolarHBondContact N-O 3.24Å; T298-L300 HydrophobicContact CG2-CD2 3.97Å; L300-L334 HydrophobicContact CB-CD1 4.13Å; L300-L334 HydrophobicContact CB-CD2 4.09Å; L300-L334 HydrophobicContact CD1-CB 4.44Å; L300-F337 HydrophobicContact CD1-CD1 3.82Å; L300-F337 HydrophobicContact CD1-CE1 4.05Å; L300-F337 HydrophobicContact CD2-CD1 3.87Å; L300-F337 HydrophobicContact CD2-CE1 3.75Å; L300-F337 HydrophobicContact CD2-CZ 4.47Å; L300-F337 HydrophobicContact CG-CE1 4.49Å; L300-A371 HydrophobicContact CD2-CB 3.32Å; L300-L401 HydrophobicContact CD2-CB 4.15Å |
| 301 | S | 97.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -160.1 | 144.3 | 172.5 | -166.7 | 0 | 0 | 0 | 0 | 111.6 | L303 R315 L401 | S301-L303 PolarHBondContact O-N 2.94Å; S301-L303 WeakPolarHBondContact OG-CB 3.37Å; S301-L303 PolarHBondContact OG-N 3.41Å; S301-R315 PolarHBondContact O-NE 2.92Å; S301-R315 PolarHBondContact O-NH2 3.2Å; S301-L401 PolarHBondContact N-O 3.18Å | ||
| 302 | T | 97.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -77.6 | -5.2 | 164.9 | 53.7 | 0 | 0 | 0 | 0 | 112.7 | P262 S314 R315 T330 L333 L334 | P262-T302 WeakPolarHBondContact CB-OG1 3.37Å; T302-S314 WeakPolarHBondContact O-CA 3.47Å; T302-R315 WeakPolarHBondContact O-CB 3.49Å; T302-R315 WeakPolarHBondContact O-CG 3.42Å; T302-R315 PolarHBondContact O-N 2.78Å; T302-T330 HydrophobicContact CG2-CG2 4.17Å; T302-L333 HydrophobicContact CG2-CB 4.47Å; T302-L333 HydrophobicContact CG2-CD1 3.98Å; T302-L334 HydrophobicContact CG2-CD2 4.29Å |
| 303 | L | 95.4 | Very high | 89.6 | Confident | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -85.5 | 136.8 | 174.3 | -62.1 | 175.3 | 0 | 0 | 0 | 112 | Y261 S301 T305 L312 K313 R315 | Y261-L303 WeakPolarHBondContact O-CD1 3.32Å; S301-L303 PolarHBondContact O-N 2.94Å; S301-L303 WeakPolarHBondContact OG-CB 3.37Å; S301-L303 PolarHBondContact OG-N 3.41Å; L303-T305 VanDerWaalsContact C-N 3.27Å; L303-T305 PolarHBondContact O-N 3.32Å; L303-L312 HydrophobicContact CD1-CD1 3.98Å; L303-L312 HydrophobicContact CD1-CD2 4.35Å; L303-L312 HydrophobicContact CD2-CB 4.28Å; L303-K313 CarbonylContact C-O 3.52Å; L303-K313 WeakPolarHBondContact CA-O 3.47Å; L303-R315 PolarHBondContact O-NE 2.94Å; L303-R315 PolarHBondContact O-NH2 3.08Å |
| 304 | E | 93.4 | Very high | 89.4 | Confident | 82 Ų | 82 | 40.6 Ų | 40.6 | 38% | 0.383 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -55.7 | -42.1 | 176.6 | -70.4 | 178.8 | 174.5 | 0 | 0 | 112.4 | K313 R315 G404 | E304-K313 HydrophobicContact CG-CB 4.32Å; E304-K313 PolarHBondContact N-O 3.18Å; E304-R315 HydrophobicContact CB-CG 4.4Å; E304-R315 HydrophobicContact CG-CB 4.44Å; E304-R315 HydrophobicContact CG-CG 3.77Å; E304-R315 PolarHBondContact O-NH1 3.38Å; E304-G404 PolarHBondContact O-N 3.32Å |
| 305 | T | 89.8 | Confident | 89.2 | Confident | 47 Ų | 47 | 41.6 Ų | 41.6 | 29% | 0.288 | 20% | 0.201 | S | C | . | . | trans | -144.6 | 157.6 | 177.4 | 70.7 | 0 | 0 | 0 | 0 | 110.1 | L303 L312 | L303-T305 VanDerWaalsContact C-N 3.27Å; L303-T305 PolarHBondContact O-N 3.32Å; T305-L312 VanDerWaalsContact O-CD2 3.25Å; T305-L312 WeakPolarHBondContact O-CD2 3.48Å | ||
| 306 | I | 86.2 | Confident | 89 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -111 | 0.9 | 179.7 | 55.7 | 173.5 | 0 | 0 | 0 | 113.2 | H260 R279 P403 | H260-I306 HydrophobicContact CB-CG2 4.03Å; H260-I306 WeakPolarHBondContact CE1-CD1 3.15Å; H260-I306 WeakPolarHBondContact NE2-CD1 3.38Å; R279-I306 PolarHBondContact NH2-O 2.76Å; I306-P403 HydrophobicContact CB-CB 4.4Å; I306-P403 HydrophobicContact CD1-CG 3.98Å; I306-P403 HydrophobicContact CG1-CB 4.17Å; I306-P403 HydrophobicContact CG1-CG 4.15Å; I306-P403 HydrophobicContact CG2-CB 3.66Å; I306-P403 HydrophobicContact CG2-CG 3.76Å |
| 307 | W | 80 | Confident | 88.8 | Confident | 16 Ų | 16 | 43.9 Ų | 43.9 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -91.4 | -28.4 | -169 | -55.3 | 128.9 | 0 | 0 | 0 | 114.4 | H276 H525 V529 Q532 | H276-W307 PolarHBondContact CE1-O 3.46Å; H276-W307 PolarHBondContact NE2-O 3.49Å; W307-H525 AromaticContact CZ2-CE1 3.51Å; W307-H525 AromaticContact CZ2-ND1 3.9Å; W307-V529 HydrophobicContact CH2-CB 3.85Å; W307-V529 HydrophobicContact CH2-CG1 4.15Å; W307-V529 HydrophobicContact CH2-CG2 3.3Å; W307-V529 HydrophobicContact CZ2-CB 4.22Å; W307-V529 HydrophobicContact CZ2-CG2 3.46Å; W307-V529 VanDerWaalsContact CZ2-CG2 3.46Å; W307-V529 HydrophobicContact CZ3-CG2 4.41Å; W307-Q532 HydrophobicContact CB-CG 3.89Å; W307-Q532 HydrophobicContact CD2-CG 3.98Å; W307-Q532 HydrophobicContact CE3-CB 4.17Å; W307-Q532 HydrophobicContact CE3-CG 3.97Å; W307-Q532 HydrophobicContact CG-CG 3.93Å |
| 308 | R | 69.7 | Low | 88.6 | Confident | 175 Ų | 175 | 48.9 Ų | 48.9 | 66% | 0.66 | 25% | 0.254 | S | S | * | . | trans | -116.1 | 96.9 | -171.4 | -64.3 | -173.6 | -178.6 | -160.9 | 3.4 | 111.8 | N310 N311 L312 | R308-N310 VanDerWaalsContact C-N 3.3Å; R308-N310 PolarHBondContact O-N 3.46Å; R308-N311 PolarHBondContact O-N 2.98Å; R308-L312 WeakPolarHBondContact O-CD2 3.44Å; R308-L312 PolarHBondContact O-N 3.21Å | ||
| 309 | N | 67.1 | Low | 88.5 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.064 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -52.7 | -44.2 | -179.3 | -86.9 | 8.4 | 0 | 0 | 0 | 113.7 | I264 T272 H276 R279 N311 | I264-N309 HydrophobicContact CD1-CB 4.31Å; I264-N309 VanDerWaalsContact CD1-O 3.31Å; I264-N309 WeakPolarHBondContact CD1-O 3.43Å; T272-N309 PolarHBondContact O-ND2 3.41Å; H276-N309 VanDerWaalsContact CB-ND2 3.3Å; H276-N309 WeakPolarHBondContact CB-ND2 3.28Å; H276-N309 PolarHBondContact ND1-OD1 3.39Å; R279-N309 PolarHBondContact NH1-OD1 3.35Å; R279-N309 PolarHBondContact NH2-OD1 2.85Å; N309-N311 PolarHBondContact O-N 3.49Å; N309-N311 VanDerWaalsContact O-N 3.12Å |
| 310 | N | 68.8 | Low | 88.4 | Confident | 143 Ų | 143 | 50.7 Ų | 50.7 | 77% | 0.765 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -69 | -16.7 | -169.7 | -62.9 | -4.5 | 0 | 0 | 0 | 113.9 | R308 | R308-N310 VanDerWaalsContact C-N 3.3Å; R308-N310 PolarHBondContact O-N 3.46Å |
| 311 | N | 72.6 | Confident | 88.3 | Confident | 118 Ų | 118 | 57.7 Ų | 57.7 | 63% | 0.631 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -139.6 | 37.5 | -174.6 | -67.1 | -23.6 | 0 | 0 | 0 | 111.5 | R308 N309 K313 | R308-N311 PolarHBondContact O-N 2.98Å; N309-N311 PolarHBondContact O-N 3.49Å; N309-N311 VanDerWaalsContact O-N 3.12Å; N311-K313 PolarHBondContact O-N 3.18Å |
| 312 | L | 84.2 | Confident | 88.2 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 20% | 0.199 | 31% | 0.308 | C | S | . | . | trans | -59.9 | 126.7 | 171.9 | -66.3 | -177.9 | 0 | 0 | 0 | 108.8 | I264 L303 T305 R308 | I264-L312 HydrophobicContact CG1-CD1 3.54Å; I264-L312 HydrophobicContact CG1-CG 4.43Å; L303-L312 HydrophobicContact CD1-CD1 3.98Å; L303-L312 HydrophobicContact CD1-CD2 4.35Å; L303-L312 HydrophobicContact CD2-CB 4.28Å; T305-L312 VanDerWaalsContact O-CD2 3.25Å; T305-L312 WeakPolarHBondContact O-CD2 3.48Å; R308-L312 WeakPolarHBondContact O-CD2 3.44Å; R308-L312 PolarHBondContact O-N 3.21Å | ||
| 313 | K | 91.9 | Very high | 88.2 | Confident | 129 Ų | 129 | 64.2 Ų | 64.2 | 56% | 0.561 | 33% | 0.331 | S | S | * | . | trans | -118.8 | 131.8 | 178.3 | -70.5 | -177.7 | 179.2 | -176.4 | 0 | 108.8 | L303 E304 N311 | L303-K313 CarbonylContact C-O 3.52Å; L303-K313 WeakPolarHBondContact CA-O 3.47Å; E304-K313 HydrophobicContact CG-CB 4.32Å; E304-K313 PolarHBondContact N-O 3.18Å; N311-K313 PolarHBondContact O-N 3.18Å | ||
| 314 | S | 93.7 | Very high | 88 | Confident | 28 Ų | 28 | 67.5 Ų | 67.5 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -67.5 | 140 | 165 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | T302 W322 T324 | T302-S314 WeakPolarHBondContact O-CA 3.47Å; S314-W322 WeakPolarHBondContact OG-CZ2 3.33Å; S314-W322 PolarHBondContact OG-NE1 3.48Å; S314-W322 VanDerWaalsContact OG-NE1 3.15Å; S314-T324 VanDerWaalsContact CB-CG2 3.42Å |
| 315 | R | 93.3 | Very high | 87.9 | Confident | 23 Ų | 23 | 67.5 Ų | 67.5 | 9% | 0.087 | 35% | 0.354 | C | S | . | . | trans | -63.3 | 161.9 | 169.3 | -60.3 | -179 | -145.6 | -88.4 | 2.8 | 109.9 | S301 T302 L303 E304 W322 Q400 L401 T402 | S301-R315 PolarHBondContact O-NE 2.92Å; S301-R315 PolarHBondContact O-NH2 3.2Å; T302-R315 WeakPolarHBondContact O-CB 3.49Å; T302-R315 WeakPolarHBondContact O-CG 3.42Å; T302-R315 PolarHBondContact O-N 2.78Å; L303-R315 PolarHBondContact O-NE 2.94Å; L303-R315 PolarHBondContact O-NH2 3.08Å; E304-R315 HydrophobicContact CB-CG 4.4Å; E304-R315 HydrophobicContact CG-CB 4.44Å; E304-R315 HydrophobicContact CG-CG 3.77Å; E304-R315 PolarHBondContact O-NH1 3.38Å; R315-W322 WeakPolarHBondContact O-CH2 3.44Å; R315-W322 WeakPolarHBondContact O-CZ2 3.37Å; R315-Q400 WeakPolarHBondContact CD-O 2.99Å; R315-Q400 PolarHBondContact NE-O 2.63Å; R315-Q400 PolarHBondContact NH1-O 3.36Å; R315-L401 VanDerWaalsContact NH2-C 3.27Å; R315-L401 PolarHBondContact NH2-O 2.96Å; R315-T402 PolarHBondContact NH1-O 3.33Å; R315-T402 PolarHBondContact NH2-O 3.06Å | ||
| 316 | S | 94.2 | Very high | 88.2 | Confident | 94 Ų | 94 | 66.1 Ų | 66.1 | 66% | 0.657 | 35% | 0.345 | S | S | * | . | trans | -114.2 | 136.1 | 168.1 | 60.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 317 | L | 95.8 | Very high | 88.7 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | trans | -109.8 | 132.3 | 168.5 | -86.2 | 77.2 | 0 | 0 | 0 | 109.2 | G319 L320 W322 L373 T399 | L317-G319 PolarHBondContact O-N 2.94Å; L317-L320 HydrophobicContact CB-CB 4.19Å; L317-L320 HydrophobicContact CB-CD1 4.21Å; L317-L320 HydrophobicContact CB-CG 4.49Å; L317-L320 HydrophobicContact CD2-CD1 4.28Å; L317-L320 PolarHBondContact O-N 3.03Å; L317-W322 HydrophobicContact CB-CH2 4.31Å; L317-W322 HydrophobicContact CB-CZ3 4.12Å; L317-W322 HydrophobicContact CD1-CH2 3.61Å; L317-W322 HydrophobicContact CD1-CZ3 4.22Å; L317-L373 HydrophobicContact CD2-CD2 3.77Å; L317-L373 HydrophobicContact CD2-CG 4.08Å; L317-T399 HydrophobicContact CD1-CG2 3.91Å; L317-T399 HydrophobicContact CG-CG2 4.24Å | ||
| 318 | P | 94.4 | Very high | 89.6 | Confident | 105 Ų | 105 | 65.9 Ų | 65.9 | 68% | 0.682 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 127.8 | 177.4 | -25.3 | 34.5 | 0 | 0 | 0 | 111.9 | L320 | P318-L320 VanDerWaalsContact C-N 3.31Š|
| 319 | G | 95.2 | Very high | 91 | Very high | 27 Ų | 27 | 58 Ų | 58 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -1.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L317 A485 | L317-G319 PolarHBondContact O-N 2.94Å; G319-A485 WeakPolarHBondContact O-CB 3.27Å; G319-A485 PolarHBondContact O-N 2.95Å |
| 320 | L | 97.7 | Very high | 92.4 | Very high | 11 Ų | 11 | 57.4 Ų | 57.4 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -121.4 | 145.6 | 177.4 | -63.8 | -174.7 | 0 | 0 | 0 | 112.8 | L317 P318 W322 L333 L375 M483 F484 | L317-L320 HydrophobicContact CB-CB 4.19Å; L317-L320 HydrophobicContact CB-CD1 4.21Å; L317-L320 HydrophobicContact CB-CG 4.49Å; L317-L320 HydrophobicContact CD2-CD1 4.28Å; L317-L320 PolarHBondContact O-N 3.03Å; P318-L320 VanDerWaalsContact C-N 3.31Å; L320-W322 HydrophobicContact CB-CE3 4.15Å; L320-W322 HydrophobicContact CB-CZ3 3.96Å; L320-L333 HydrophobicContact CD1-CD2 3.62Å; L320-L375 HydrophobicContact CD1-CB 4.34Å; L320-L375 HydrophobicContact CD1-CD2 4.35Å; L320-L375 HydrophobicContact CD1-CG 4.15Å; L320-L375 WeakPolarHBondContact CD1-O 3.25Å; L320-L375 VanDerWaalsContact CG-O 3.25Å; L320-L375 WeakPolarHBondContact CG-O 3.19Å; L320-M483 CarbonylContact C-O 3.59Å; L320-M483 VanDerWaalsContact CA-O 3.25Å; L320-M483 WeakPolarHBondContact CA-O 3.24Å; L320-M483 HydrophobicContact CD1-CE 4.49Å; L320-M483 HydrophobicContact CD2-CB 4.32Å; L320-F484 HydrophobicContact CD2-CB 4.46Å; L320-F484 HydrophobicContact CD2-CD1 3.49Å; L320-F484 VanDerWaalsContact CD2-CD1 3.49Å; L320-F484 HydrophobicContact CD2-CD2 4.34Å; L320-F484 HydrophobicContact CD2-CE1 3.67Å; L320-F484 HydrophobicContact CD2-CE2 4.48Å; L320-F484 HydrophobicContact CD2-CG 3.85Å; L320-F484 HydrophobicContact CD2-CZ 4.16Å |
| 321 | Q | 96.4 | Very high | 93.9 | Very high | 146 Ų | 146 | 50.6 Ų | 50.6 | 68% | 0.682 | 28% | 0.276 | S | S | * | . | trans | -139.5 | 132 | 174.1 | -63.8 | 179.8 | -2.2 | 0 | 0 | 109.1 | M483 | Q321-M483 PolarHBondContact N-O 3.38Å; Q321-M483 WeakPolarHBondContact O-CA 3.48Å; Q321-M483 WeakPolarHBondContact O-CB 3.48Å; Q321-M483 WeakPolarHBondContact O-CG 3.32Å | ||
| 322 | W | 96.3 | Very high | 95.1 | Very high | 33 Ų | 33 | 45 Ų | 45 | 13% | 0.125 | 25% | 0.246 | C | C | . | . | trans | -144.9 | 162.9 | 177.7 | 62.8 | 93.5 | 0 | 0 | 0 | 111.2 | S314 R315 L317 L320 Q329 L333 M483 | S314-W322 WeakPolarHBondContact OG-CZ2 3.33Å; S314-W322 PolarHBondContact OG-NE1 3.48Å; S314-W322 VanDerWaalsContact OG-NE1 3.15Å; R315-W322 WeakPolarHBondContact O-CH2 3.44Å; R315-W322 WeakPolarHBondContact O-CZ2 3.37Å; L317-W322 HydrophobicContact CB-CH2 4.31Å; L317-W322 HydrophobicContact CB-CZ3 4.12Å; L317-W322 HydrophobicContact CD1-CH2 3.61Å; L317-W322 HydrophobicContact CD1-CZ3 4.22Å; L320-W322 HydrophobicContact CB-CE3 4.15Å; L320-W322 HydrophobicContact CB-CZ3 3.96Å; W322-Q329 HydrophobicContact CB-CB 4.04Å; W322-L333 HydrophobicContact CD2-CD1 3.86Å; W322-L333 HydrophobicContact CE3-CD1 3.91Å; W322-L333 HydrophobicContact CH2-CD1 3.92Å; W322-L333 HydrophobicContact CZ2-CD1 3.84Å; W322-L333 HydrophobicContact CZ3-CD1 3.95Å; W322-M483 HydrophobicContact CB-CE 3.79Å; W322-M483 HydrophobicContact CB-CG 4.02Å; W322-M483 HydrophobicContact CB-SD 4.08Å; W322-M483 HydrophobicContact CD2-CE 4.08Å; W322-M483 HydrophobicContact CE3-CE 3.81Å; W322-M483 HydrophobicContact CG-CE 4.11Å | ||
| 323 | E | 95.8 | Very high | 95.8 | Very high | 106 Ų | 106 | 43.2 Ų | 43.2 | 50% | 0.495 | 24% | 0.237 | S | C | . | . | trans | -75.3 | 123.4 | 171.1 | -71.6 | 172.2 | -169.5 | 0 | 0 | 109.8 | D325 N326 | E323-D325 VanDerWaalsContact C-N 3.25Å; E323-D325 PolarHBondContact O-N 2.94Å; E323-D325 VanDerWaalsContact O-N 3.11Å; E323-N326 HydrophobicContact CB-CB 3.58Å; E323-N326 WeakPolarHBondContact O-CB 3.43Å; E323-N326 PolarHBondContact O-N 2.74Å; E323-N326 VanDerWaalsContact O-N 3.11Å; E323-N326 PolarHBondContact OE2-ND2 3.09Å | ||
| 324 | T | 92.4 | Very high | 96.1 | Very high | 77 Ų | 77 | 37 Ų | 37 | 47% | 0.472 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -32.2 | -164 | 54.9 | 0 | 0 | 0 | 0 | 114.4 | P262 S314 | P262-T324 WeakPolarHBondContact CB-O 3.45Å; S314-T324 VanDerWaalsContact CB-CG2 3.42Å |
| 325 | D | 91.4 | Very high | 96.4 | Very high | 82 Ų | 82 | 35.8 Ų | 35.8 | 44% | 0.439 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | 6.1 | -176.7 | 64.6 | -31.3 | 0 | 0 | 0 | 113.5 | R263 E323 L327 | R263-D325 HydrophobicContact CB-CB 4.04Å; E323-D325 VanDerWaalsContact C-N 3.25Å; E323-D325 PolarHBondContact O-N 2.94Å; E323-D325 VanDerWaalsContact O-N 3.11Å; D325-L327 PolarHBondContact O-N 2.98Å |
| 326 | N | 96 | Very high | 96.6 | Very high | 18 Ų | 18 | 34.8 Ų | 34.8 | 10% | 0.096 | 20% | 0.198 | C | C | . | . | trans | -76.8 | 109.4 | -179.7 | -170.9 | -52.9 | 0 | 0 | 0 | 110.4 | A155 E323 Y328 Q329 T330 | A155-N326 PolarHBondContact O-ND2 2.84Å; E323-N326 HydrophobicContact CB-CB 3.58Å; E323-N326 WeakPolarHBondContact O-CB 3.43Å; E323-N326 PolarHBondContact O-N 2.74Å; E323-N326 VanDerWaalsContact O-N 3.11Å; E323-N326 PolarHBondContact OE2-ND2 3.09Å; N326-Y328 VanDerWaalsContact C-N 3.3Å; N326-Y328 PolarHBondContact O-N 3.49Å; N326-Y328 WeakPolarHBondContact OD1-CB 3.46Å; N326-Y328 PolarHBondContact OD1-N 3.28Å; N326-Y328 VanDerWaalsContact OD1-N 3.11Å; N326-Q329 HydrophobicContact CB-CB 4.27Å; N326-Q329 HydrophobicContact CB-CG 4.44Å; N326-Q329 PolarHBondContact O-N 2.97Å; N326-Q329 PolarHBondContact OD1-N 2.71Å; N326-Q329 VanDerWaalsContact OD1-N 3.12Å; N326-T330 WeakPolarHBondContact O-CB 3.33Å; N326-T330 VanDerWaalsContact O-CG2 3.29Å; N326-T330 WeakPolarHBondContact O-CG2 3.35Å; N326-T330 PolarHBondContact O-N 3.02Å; N326-T330 PolarHBondContact O-OG1 3.02Å | ||
| 327 | L | 96.5 | Very high | 96.8 | Very high | 12 Ų | 12 | 30.3 Ų | 30.3 | 6% | 0.063 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.8 | -32.9 | -175.2 | -59 | -173.8 | 0 | 0 | 0 | 112.3 | Y15 Y18 Y261 P262 D325 T330 S331 | Y15-L327 HydrophobicContact CD2-CB 4.4Å; Y15-L327 HydrophobicContact CD2-CD2 3.84Å; Y15-L327 HydrophobicContact CE2-CB 4.47Å; Y15-L327 HydrophobicContact CE2-CD2 3.95Å; Y18-L327 HydrophobicContact CD1-CB 3.76Å; Y18-L327 HydrophobicContact CD2-CB 4.33Å; Y18-L327 HydrophobicContact CD2-CD1 4.36Å; Y18-L327 HydrophobicContact CE1-CB 3.65Å; Y18-L327 HydrophobicContact CE2-CB 4.26Å; Y18-L327 HydrophobicContact CE2-CD1 4.01Å; Y18-L327 HydrophobicContact CG-CB 4.1Å; Y261-L327 HydrophobicContact CD1-CD2 4.26Å; Y261-L327 HydrophobicContact CE1-CD1 4.4Å; Y261-L327 HydrophobicContact CE1-CD2 4.48Å; P262-L327 HydrophobicContact CG-CD2 3.6Å; D325-L327 PolarHBondContact O-N 2.98Å; L327-T330 WeakPolarHBondContact CA-OG1 3.15Å; L327-T330 PolarHBondContact O-OG1 3.34Å; L327-S331 WeakPolarHBondContact O-CB 3.42Å; L327-S331 PolarHBondContact O-N 2.58Å; L327-S331 VanDerWaalsContact O-N 3.13Å; L327-S331 PolarHBondContact O-OG 2.9Å |
| 328 | Y | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.4 | -44.7 | 177.3 | 162 | -103.2 | 0 | 0 | 0 | 111.7 | H22 L154 A155 A158 F164 N326 S331 P478 P480 | H22-Y328 AromaticContact CE1-CD2 3.77Å; H22-Y328 AromaticContact CE1-CE2 3.5Å; H22-Y328 AromaticContact NE2-CD2 3.5Å; H22-Y328 WeakPolarHBondContact NE2-CD2 3.36Å; H22-Y328 AromaticContact NE2-CE2 3.74Å; H22-Y328 PolarHBondContact NE2-O 2.71Å; L154-Y328 HydrophobicContact CB-CD1 4.32Å; L154-Y328 HydrophobicContact CB-CE1 3.7Å; L154-Y328 HydrophobicContact CB-CE2 3.96Å; L154-Y328 VanDerWaalsContact CB-CZ 3.49Å; L154-Y328 HydrophobicContact CD1-CE2 4.15Å; A155-Y328 HydrophobicContact CB-CD1 4.28Å; A155-Y328 HydrophobicContact CB-CE1 4.49Å; A158-Y328 HydrophobicContact CB-CD2 4.35Å; A158-Y328 HydrophobicContact CB-CG 4.26Å; F164-Y328 HydrophobicContact CB-CD2 4.32Å; F164-Y328 HydrophobicContact CB-CE2 4.09Å; F164-Y328 AromaticContact CD1-CD2 3.63Å; F164-Y328 HydrophobicContact CD1-CD2 3.63Å; F164-Y328 HydrophobicContact CD1-CE2 4.25Å; F164-Y328 AromaticContact CD2-CD2 3.95Å; F164-Y328 HydrophobicContact CD2-CD2 3.95Å; F164-Y328 HydrophobicContact CD2-CE2 4.04Å; F164-Y328 AromaticContact CE1-CD2 3.78Å; F164-Y328 HydrophobicContact CE1-CD2 3.78Å; F164-Y328 HydrophobicContact CE2-CD2 4.13Å; F164-Y328 AromaticContact CG-CD2 3.71Å; F164-Y328 HydrophobicContact CG-CD2 3.71Å; F164-Y328 AromaticContact CG-CE2 3.88Å; F164-Y328 HydrophobicContact CG-CE2 3.88Å; F164-Y328 HydrophobicContact CZ-CD2 4.05Å; N326-Y328 VanDerWaalsContact C-N 3.3Å; N326-Y328 PolarHBondContact O-N 3.49Å; N326-Y328 WeakPolarHBondContact OD1-CB 3.46Å; N326-Y328 PolarHBondContact OD1-N 3.28Å; N326-Y328 VanDerWaalsContact OD1-N 3.11Å; Y328-S331 PolarHBondContact O-OG 2.75Å; Y328-P478 WeakPolarHBondContact CE2-O 3.48Å; Y328-P478 PolarHBondContact OH-O 3.36Å; Y328-P480 HydrophobicContact CD1-CB 4.3Å; Y328-P480 HydrophobicContact CE1-CB 3.59Å; Y328-P480 HydrophobicContact CE1-CG 4.46Å |
| 329 | Q | 98.2 | Very high | 97.1 | Very high | 9 Ų | 9 | 25.1 Ų | 25.1 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -74.4 | -46.4 | -179.4 | -68.3 | -174.2 | -26.6 | 0 | 0 | 112.8 | A155 W322 N326 S331 A332 P480 E482 M483 | A155-Q329 HydrophobicContact CB-CG 4.3Å; W322-Q329 HydrophobicContact CB-CB 4.04Å; N326-Q329 HydrophobicContact CB-CB 4.27Å; N326-Q329 HydrophobicContact CB-CG 4.44Å; N326-Q329 PolarHBondContact O-N 2.97Å; N326-Q329 PolarHBondContact OD1-N 2.71Å; N326-Q329 VanDerWaalsContact OD1-N 3.12Å; Q329-S331 PolarHBondContact O-N 3.1Å; Q329-A332 WeakPolarHBondContact O-CB 2.88Å; Q329-A332 PolarHBondContact O-N 2.57Å; Q329-P480 HydrophobicContact CG-CB 3.99Å; Q329-E482 PolarHBondContact NE2-OE1 3.49Å; Q329-M483 HydrophobicContact CB-CG 4.44Å; Q329-M483 HydrophobicContact CB-SD 3.67Å; Q329-M483 HydrophobicContact CG-CG 4.28Å; Q329-M483 HydrophobicContact CG-SD 4.04Å |
| 330 | T | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.7 | -38.6 | -177.7 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | Y15 P262 T302 N326 L327 A332 L333 L334 | Y15-T330 WeakPolarHBondContact OH-CB 3.21Å; Y15-T330 PolarHBondContact OH-OG1 3.26Å; P262-T330 HydrophobicContact CB-CG2 3.82Å; P262-T330 HydrophobicContact CG-CG2 4.12Å; T302-T330 HydrophobicContact CG2-CG2 4.17Å; N326-T330 WeakPolarHBondContact O-CB 3.33Å; N326-T330 VanDerWaalsContact O-CG2 3.29Å; N326-T330 WeakPolarHBondContact O-CG2 3.35Å; N326-T330 PolarHBondContact O-N 3.02Å; N326-T330 PolarHBondContact O-OG1 3.02Å; L327-T330 WeakPolarHBondContact CA-OG1 3.15Å; L327-T330 PolarHBondContact O-OG1 3.34Å; T330-A332 VanDerWaalsContact C-N 3.32Å; T330-A332 PolarHBondContact O-N 3.43Å; T330-L333 PolarHBondContact O-N 2.82Å; T330-L334 PolarHBondContact O-N 3.17Å |
| 331 | S | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.6 | -31.3 | 178.1 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | H22 L327 Y328 Q329 L333 L334 A335 | H22-S331 PolarHBondContact CD2-OG 2.84Å; H22-S331 VanDerWaalsContact CD2-OG 3.24Å; L327-S331 WeakPolarHBondContact O-CB 3.42Å; L327-S331 PolarHBondContact O-N 2.58Å; L327-S331 VanDerWaalsContact O-N 3.13Å; L327-S331 PolarHBondContact O-OG 2.9Å; Y328-S331 PolarHBondContact O-OG 2.75Å; Q329-S331 PolarHBondContact O-N 3.1Å; S331-L333 VanDerWaalsContact C-N 3.29Å; S331-L333 PolarHBondContact O-N 2.99Å; S331-L334 PolarHBondContact O-N 2.8Å; S331-A335 VanDerWaalsContact O-CB 3.3Å; S331-A335 WeakPolarHBondContact O-CB 3.46Å; S331-A335 PolarHBondContact O-N 3.34Å |
| 332 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.2 | -37.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H22 Q329 T330 A335 A336 F479 P480 | H22-A332 PolarHBondContact CD2-N 3.4Å; Q329-A332 WeakPolarHBondContact O-CB 2.88Å; Q329-A332 PolarHBondContact O-N 2.57Å; T330-A332 VanDerWaalsContact C-N 3.32Å; T330-A332 PolarHBondContact O-N 3.43Å; A332-A335 PolarHBondContact O-N 3.41Å; A332-A336 VanDerWaalsContact O-CB 3.29Å; A332-A336 WeakPolarHBondContact O-CB 3.49Å; A332-A336 PolarHBondContact O-N 3.02Å; A332-F479 HydrophobicContact CB-CD2 4.38Å; A332-F479 HydrophobicContact CB-CE2 3.97Å; A332-F479 HydrophobicContact CB-CZ 4.2Å; A332-P480 VanDerWaalsContact CB-CD 3.42Å; A332-P480 HydrophobicContact CB-CG 3.37Å |
| 333 | L | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.2 | -45.9 | 175.8 | -68.2 | 174.5 | 0 | 0 | 0 | 111.9 | T302 L320 W322 T330 S331 A335 A336 F337 L375 M483 | T302-L333 HydrophobicContact CG2-CB 4.47Å; T302-L333 HydrophobicContact CG2-CD1 3.98Å; L320-L333 HydrophobicContact CD1-CD2 3.62Å; W322-L333 HydrophobicContact CD2-CD1 3.86Å; W322-L333 HydrophobicContact CE3-CD1 3.91Å; W322-L333 HydrophobicContact CH2-CD1 3.92Å; W322-L333 HydrophobicContact CZ2-CD1 3.84Å; W322-L333 HydrophobicContact CZ3-CD1 3.95Å; T330-L333 PolarHBondContact O-N 2.82Å; S331-L333 VanDerWaalsContact C-N 3.29Å; S331-L333 PolarHBondContact O-N 2.99Å; L333-A335 VanDerWaalsContact C-N 3.34Å; L333-A336 PolarHBondContact O-N 2.62Å; L333-F337 PolarHBondContact O-N 3.14Å; L333-L375 HydrophobicContact CD2-CD2 4.35Å; L333-M483 HydrophobicContact CD1-CE 3.76Å; L333-M483 HydrophobicContact CD2-CE 3.61Å; L333-M483 HydrophobicContact CG-CE 3.61Å |
| 334 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -68.1 | -38.1 | 179.7 | -56.1 | -170.7 | 0 | 0 | 0 | 111.1 | Y15 V19 L259 L300 T302 T330 S331 F337 F338 L401 | Y15-L334 HydrophobicContact CE1-CD1 3.87Å; V19-L334 HydrophobicContact CG1-CB 4.07Å; V19-L334 HydrophobicContact CG2-CB 4.03Å; V19-L334 HydrophobicContact CG2-CD1 4.14Å; L259-L334 HydrophobicContact CD2-CD1 4.22Å; L300-L334 HydrophobicContact CB-CD1 4.13Å; L300-L334 HydrophobicContact CB-CD2 4.09Å; L300-L334 HydrophobicContact CD1-CB 4.44Å; T302-L334 HydrophobicContact CG2-CD2 4.29Å; T330-L334 PolarHBondContact O-N 3.17Å; S331-L334 PolarHBondContact O-N 2.8Å; L334-F337 WeakPolarHBondContact O-CB 3.44Å; L334-F337 PolarHBondContact O-N 3.39Å; L334-F338 WeakPolarHBondContact O-CB 3.42Å; L334-F338 PolarHBondContact O-N 2.89Å; L334-L401 HydrophobicContact CD2-CD1 4.16Å |
| 335 | A | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 6.8 Ų | 6.8 | 2% | 0.017 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -66 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V19 H22 F23 S331 A332 L333 F337 F338 D339 | V19-A335 HydrophobicContact CG1-CB 4.2Å; V19-A335 WeakPolarHBondContact O-CB 2.87Å; H22-A335 HydrophobicContact CB-CB 3.41Å; H22-A335 VanDerWaalsContact CB-CB 3.41Å; F23-A335 HydrophobicContact CB-CB 4.27Å; S331-A335 VanDerWaalsContact O-CB 3.3Å; S331-A335 WeakPolarHBondContact O-CB 3.46Å; S331-A335 PolarHBondContact O-N 3.34Å; A332-A335 PolarHBondContact O-N 3.41Å; L333-A335 VanDerWaalsContact C-N 3.34Å; A335-F337 VanDerWaalsContact C-N 3.35Å; A335-F338 PolarHBondContact O-N 3.15Å; A335-D339 WeakPolarHBondContact O-CB 3.41Å; A335-D339 PolarHBondContact O-N 3.17Å |
| 336 | A | 98.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 3 Ų | 3 | 2% | 0.017 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -63.4 | -41.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A332 L333 T340 L375 L473 F479 M512 | A332-A336 VanDerWaalsContact O-CB 3.29Å; A332-A336 WeakPolarHBondContact O-CB 3.49Å; A332-A336 PolarHBondContact O-N 3.02Å; L333-A336 PolarHBondContact O-N 2.62Å; A336-T340 WeakPolarHBondContact O-CB 3.31Å; A336-T340 PolarHBondContact O-N 3.12Å; A336-T340 PolarHBondContact O-OG1 2.95Å; A336-L375 HydrophobicContact CB-CD2 3.99Å; A336-L473 HydrophobicContact CB-CD1 4.21Å; A336-L473 HydrophobicContact CB-CD2 3.85Å; A336-F479 HydrophobicContact CB-CE2 4.4Å; A336-M512 HydrophobicContact CB-CE 4.36Å; A336-M512 HydrophobicContact CB-SD 4.42Å; A336-M512 VanDerWaalsContact O-CE 3.31Å; A336-M512 WeakPolarHBondContact O-CE 3.39Å |
| 337 | F | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -58 | -53.2 | 169.9 | 164.4 | -97.3 | 0 | 0 | 0 | 110.8 | T298 L300 L333 L334 A335 D339 T340 A341 A371 L373 L401 A514 A515 V516 | T298-F337 HydrophobicContact CG2-CZ 4.42Å; L300-F337 HydrophobicContact CD1-CD1 3.82Å; L300-F337 HydrophobicContact CD1-CE1 4.05Å; L300-F337 HydrophobicContact CD2-CD1 3.87Å; L300-F337 HydrophobicContact CD2-CE1 3.75Å; L300-F337 HydrophobicContact CD2-CZ 4.47Å; L300-F337 HydrophobicContact CG-CE1 4.49Å; L333-F337 PolarHBondContact O-N 3.14Å; L334-F337 WeakPolarHBondContact O-CB 3.44Å; L334-F337 PolarHBondContact O-N 3.39Å; A335-F337 VanDerWaalsContact C-N 3.35Å; F337-D339 PolarHBondContact O-N 3.34Å; F337-T340 PolarHBondContact O-N 2.85Å; F337-A341 HydrophobicContact CD2-CB 4.43Å; F337-A341 HydrophobicContact CE1-CB 4.4Å; F337-A341 HydrophobicContact CE2-CB 3.98Å; F337-A341 HydrophobicContact CZ-CB 3.96Å; F337-A341 VanDerWaalsContact O-CB 3.24Å; F337-A341 WeakPolarHBondContact O-CB 3.33Å; F337-A341 PolarHBondContact O-N 3.44Å; F337-A371 HydrophobicContact CD1-CB 4.32Å; F337-A371 HydrophobicContact CD2-CB 4.05Å; F337-A371 HydrophobicContact CE1-CB 3.77Å; F337-A371 HydrophobicContact CE2-CB 3.46Å; F337-A371 VanDerWaalsContact CE2-CB 3.46Å; F337-A371 HydrophobicContact CG-CB 4.45Å; F337-A371 HydrophobicContact CZ-CB 3.29Å; F337-L373 HydrophobicContact CB-CD1 4.2Å; F337-L373 HydrophobicContact CB-CD2 4.48Å; F337-L401 HydrophobicContact CB-CD1 3.73Å; F337-L401 HydrophobicContact CD2-CD1 4.33Å; F337-L401 HydrophobicContact CG-CD1 4.01Å; F337-A514 HydrophobicContact CD2-CB 3.93Å; F337-A514 HydrophobicContact CE2-CB 4.3Å; F337-A515 WeakPolarHBondContact CE2-O 3.26Å; F337-V516 HydrophobicContact CZ-CG2 4Å |
| 338 | F | 98.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 7 Ų | 7 | 0% | 0.004 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | -175.4 | -179.2 | -132.3 | 0 | 0 | 0 | 112.2 | F23 H226 L228 F255 L257 L334 A335 T340 T342 | F23-F338 HydrophobicContact CB-CD1 4.4Å; F23-F338 HydrophobicContact CD1-CD1 4.24Å; F23-F338 HydrophobicContact CD1-CE1 4.03Å; F23-F338 AromaticContact CD2-CD1 3.47Å; F23-F338 HydrophobicContact CD2-CD1 3.47Å; F23-F338 VanDerWaalsContact CD2-CD1 3.47Å; F23-F338 AromaticContact CD2-CE1 3.94Å; F23-F338 HydrophobicContact CD2-CE1 3.94Å; F23-F338 HydrophobicContact CD2-CG 4.35Å; F23-F338 HydrophobicContact CE1-CD1 4.37Å; F23-F338 AromaticContact CE1-CE1 3.85Å; F23-F338 HydrophobicContact CE1-CE1 3.85Å; F23-F338 AromaticContact CE2-CD1 3.64Å; F23-F338 HydrophobicContact CE2-CD1 3.64Å; F23-F338 AromaticContact CE2-CE1 3.76Å; F23-F338 HydrophobicContact CE2-CE1 3.76Å; F23-F338 HydrophobicContact CE2-CG 4.42Å; F23-F338 AromaticContact CG-CD1 3.78Å; F23-F338 HydrophobicContact CG-CD1 3.78Å; F23-F338 HydrophobicContact CG-CE1 4.05Å; F23-F338 HydrophobicContact CZ-CD1 4.08Å; F23-F338 AromaticContact CZ-CE1 3.7Å; F23-F338 HydrophobicContact CZ-CE1 3.7Å; F23-F338 HydrophobicContact CZ-CZ 4.45Å; H226-F338 HydrophobicContact CB-CZ 3.91Å; H226-F338 AromaticContact CE1-CZ 3.94Å; H226-F338 AromaticContact CG-CZ 3.62Å; H226-F338 AromaticContact ND1-CZ 3.51Å; L228-F338 HydrophobicContact CD1-CE1 3.95Å; L228-F338 HydrophobicContact CD1-CZ 4.1Å; L228-F338 HydrophobicContact CD2-CD1 4.42Å; L228-F338 HydrophobicContact CD2-CE1 4.43Å; F255-F338 HydrophobicContact CD1-CE2 4.31Å; F255-F338 HydrophobicContact CE1-CD2 4.39Å; F255-F338 HydrophobicContact CE1-CE2 4.11Å; L257-F338 HydrophobicContact CD1-CB 4.14Å; L257-F338 HydrophobicContact CD1-CD1 4.25Å; L257-F338 HydrophobicContact CD1-CD2 3.36Å; L257-F338 HydrophobicContact CD1-CE2 3.66Å; L257-F338 HydrophobicContact CD1-CG 3.67Å; L257-F338 HydrophobicContact CD1-CZ 4.25Å; L257-F338 HydrophobicContact CG-CD2 4.48Å; L334-F338 WeakPolarHBondContact O-CB 3.42Å; L334-F338 PolarHBondContact O-N 2.89Å; A335-F338 PolarHBondContact O-N 3.15Å; F338-T340 PolarHBondContact O-N 3.41Å; F338-T342 HydrophobicContact CD2-CG2 3.49Å; F338-T342 VanDerWaalsContact CD2-CG2 3.49Å; F338-T342 HydrophobicContact CE2-CG2 3.38Å; F338-T342 HydrophobicContact CG-CG2 4.49Å; F338-T342 HydrophobicContact CZ-CG2 4.27Å; F338-T342 WeakPolarHBondContact O-CB 3.39Å; F338-T342 WeakPolarHBondContact O-CG2 3.43Å; F338-T342 PolarHBondContact O-N 2.82Å; F338-T342 PolarHBondContact O-OG1 3.1Å |
| 339 | D | 98 | Very high | 96 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -56.4 | -50.8 | 173.2 | -179.3 | 42.5 | 0 | 0 | 0 | 110.5 | F23 Q26 Q27 A335 F337 T342 L343 R346 R419 | F23-D339 HydrophobicContact CD2-CB 4.03Å; F23-D339 HydrophobicContact CE2-CB 4.22Å; Q26-D339 HydrophobicContact CG-CB 4.18Å; Q26-D339 WeakPolarHBondContact CG-OD2 3.37Å; Q27-D339 PolarHBondContact NE2-OD1 3.29Å; A335-D339 WeakPolarHBondContact O-CB 3.41Å; A335-D339 PolarHBondContact O-N 3.17Å; F337-D339 PolarHBondContact O-N 3.34Å; D339-T342 PolarHBondContact O-OG1 2.99Å; D339-L343 PolarHBondContact O-N 3.03Å; D339-R346 PolarHBondContact O-NH2 2.82Å; D339-R346 IonicContact OD1-CZ 2.64Å; D339-R346 IonicContact OD1-NH1 3.89Å; D339-R346 IonicContact OD1-NH2 2.91Å; D339-R346 PolarHBondContact OD1-NH2 2.93Å; D339-R419 IonicContact OD2-CZ 3.19Å; D339-R419 IonicContact OD2-NH1 2.81Å; D339-R419 PolarHBondContact OD2-NH1 3.23Å; D339-R419 IonicContact OD2-NH2 2.73Å |
| 340 | T | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -72.7 | -41.6 | -174.4 | -58.3 | 0 | 0 | 0 | 0 | 113.5 | A336 F337 F338 T342 L343 T417 R419 M512 A514 | A336-T340 WeakPolarHBondContact O-CB 3.31Å; A336-T340 PolarHBondContact O-N 3.12Å; A336-T340 PolarHBondContact O-OG1 2.95Å; F337-T340 PolarHBondContact O-N 2.85Å; F338-T340 PolarHBondContact O-N 3.41Å; T340-T342 VanDerWaalsContact C-N 3.27Å; T340-T342 PolarHBondContact O-N 3.33Å; T340-L343 WeakPolarHBondContact O-CB 3.1Å; T340-L343 PolarHBondContact O-N 2.86Å; T340-T417 HydrophobicContact CG2-CG2 4.23Å; T340-T417 VanDerWaalsContact O-CB 3.31Å; T340-T417 WeakPolarHBondContact O-CB 3.12Å; T340-T417 WeakPolarHBondContact O-CG2 3.14Å; T340-R419 HydrophobicContact CG2-CB 4.48Å; T340-R419 HydrophobicContact CG2-CG 4.04Å; T340-R419 WeakPolarHBondContact OG1-CD 3.13Å; T340-R419 PolarHBondContact OG1-NH1 3.17Å; T340-M512 VanDerWaalsContact CB-CE 3.5Å; T340-M512 HydrophobicContact CG2-CE 3.93Å; T340-M512 HydrophobicContact CG2-CG 4.19Å; T340-M512 HydrophobicContact CG2-SD 4.34Å; T340-M512 WeakPolarHBondContact OG1-CE 3.19Å; T340-M512 PolarHBondContact OG1-SD 3.32Å; T340-A514 HydrophobicContact CG2-CB 3.75Å |
| 341 | A | 98.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 2% | 0.017 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61 | -39 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F337 L343 A514 V516 | F337-A341 HydrophobicContact CD2-CB 4.43Å; F337-A341 HydrophobicContact CE1-CB 4.4Å; F337-A341 HydrophobicContact CE2-CB 3.98Å; F337-A341 HydrophobicContact CZ-CB 3.96Å; F337-A341 VanDerWaalsContact O-CB 3.24Å; F337-A341 WeakPolarHBondContact O-CB 3.33Å; F337-A341 PolarHBondContact O-N 3.44Å; A341-L343 VanDerWaalsContact C-N 3.34Å; A341-A514 HydrophobicContact CB-CB 4.2Å; A341-V516 HydrophobicContact CB-CG2 4.13Å |
| 342 | T | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -86.3 | -3.7 | -177.1 | 63.6 | 0 | 0 | 0 | 0 | 114.2 | F255 F338 D339 T340 S344 Y345 R346 | F255-T342 HydrophobicContact CD1-CG2 4.4Å; F255-T342 HydrophobicContact CE1-CG2 4.08Å; F338-T342 HydrophobicContact CD2-CG2 3.49Å; F338-T342 VanDerWaalsContact CD2-CG2 3.49Å; F338-T342 HydrophobicContact CE2-CG2 3.38Å; F338-T342 HydrophobicContact CG-CG2 4.49Å; F338-T342 HydrophobicContact CZ-CG2 4.27Å; F338-T342 WeakPolarHBondContact O-CB 3.39Å; F338-T342 WeakPolarHBondContact O-CG2 3.43Å; F338-T342 PolarHBondContact O-N 2.82Å; F338-T342 PolarHBondContact O-OG1 3.1Å; D339-T342 PolarHBondContact O-OG1 2.99Å; T340-T342 VanDerWaalsContact C-N 3.27Å; T340-T342 PolarHBondContact O-N 3.33Å; T342-S344 VanDerWaalsContact C-N 3.3Å; T342-S344 PolarHBondContact O-N 3.5Å; T342-Y345 VanDerWaalsContact CB-CZ 3.42Å; T342-Y345 WeakPolarHBondContact CB-OH 3.39Å; T342-Y345 HydrophobicContact CG2-CE1 4.2Å; T342-Y345 WeakPolarHBondContact CG2-OH 3.38Å; T342-R346 WeakPolarHBondContact O-CG 3.31Å; T342-R346 PolarHBondContact O-NE 2.77Å; T342-R346 PolarHBondContact OG1-NE 2.76Å; T342-R346 PolarHBondContact OG1-NH2 2.89Å |
| 343 | L | 95.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -64.1 | -34.5 | -170.9 | -169.6 | 57.9 | 0 | 0 | 0 | 112.7 | P46 D339 T340 A341 Y345 R346 L347 T417 T469 | P46-L343 HydrophobicContact CG-CD1 4.11Å; D339-L343 PolarHBondContact O-N 3.03Å; T340-L343 WeakPolarHBondContact O-CB 3.1Å; T340-L343 PolarHBondContact O-N 2.86Å; A341-L343 VanDerWaalsContact C-N 3.34Å; L343-Y345 PolarHBondContact O-N 3.28Å; L343-R346 CarbonylContact O-C 3.51Å; L343-R346 WeakPolarHBondContact O-CA 3.25Å; L343-R346 PolarHBondContact O-N 3.29Å; L343-L347 HydrophobicContact CD1-CD2 4Å; L343-L347 HydrophobicContact CG-CD2 3.92Å; L343-L347 HydrophobicContact CG-CG 4.38Å; L343-L347 WeakPolarHBondContact O-CG 3.39Å; L343-L347 PolarHBondContact O-N 2.71Å; L343-T417 HydrophobicContact CB-CG2 4.33Å; L343-T469 HydrophobicContact CD2-CG2 3.56Å |
| 344 | S | 91.7 | Very high | 94.1 | Very high | 11 Ų | 11 | 23.6 Ų | 23.6 | 8% | 0.077 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -57.7 | -41.5 | -173.6 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | T342 R346 T350 | T342-S344 VanDerWaalsContact C-N 3.3Å; T342-S344 PolarHBondContact O-N 3.5Å; S344-R346 VanDerWaalsContact C-N 3.33Å; S344-T350 VanDerWaalsContact O-CB 3.27Å; S344-T350 WeakPolarHBondContact O-CB 3.37Å; S344-T350 WeakPolarHBondContact O-CG2 3.33Å; S344-T350 PolarHBondContact O-OG1 2.99Å |
| 345 | Y | 94.5 | Very high | 94 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -89 | -0.5 | 175.9 | 58.5 | -100.4 | 0 | 0 | 0 | 113.4 | I7 H226 T342 L343 E352 L354 F357 | I7-Y345 HydrophobicContact CD1-CD2 4.04Å; I7-Y345 HydrophobicContact CD1-CE2 3.62Å; H226-Y345 AromaticContact NE2-CE2 3.7Å; H226-Y345 AromaticContact NE2-CZ 3.64Å; H226-Y345 PolarHBondContact NE2-OH 3.3Å; T342-Y345 VanDerWaalsContact CB-CZ 3.42Å; T342-Y345 WeakPolarHBondContact CB-OH 3.39Å; T342-Y345 HydrophobicContact CG2-CE1 4.2Å; T342-Y345 WeakPolarHBondContact CG2-OH 3.38Å; L343-Y345 PolarHBondContact O-N 3.28Å; Y345-E352 WeakPolarHBondContact CB-O 3.34Å; Y345-L354 HydrophobicContact CE1-CD1 4.23Å; Y345-L354 HydrophobicContact CE2-CD1 4.18Å; Y345-F357 HydrophobicContact CD1-CB 3.65Å; Y345-F357 AromaticContact CD1-CD1 3.96Å; Y345-F357 HydrophobicContact CD1-CD1 3.96Å; Y345-F357 AromaticContact CD1-CD2 3.99Å; Y345-F357 HydrophobicContact CD1-CD2 3.99Å; Y345-F357 AromaticContact CD1-CG 3.6Å; Y345-F357 HydrophobicContact CD1-CG 3.6Å; Y345-F357 HydrophobicContact CE1-CB 4.01Å; Y345-F357 AromaticContact CE1-CD1 3.41Å; Y345-F357 HydrophobicContact CE1-CD1 3.41Å; Y345-F357 VanDerWaalsContact CE1-CD1 3.41Å; Y345-F357 HydrophobicContact CE1-CD2 4.06Å; Y345-F357 AromaticContact CE1-CE1 3.76Å; Y345-F357 HydrophobicContact CE1-CE1 3.76Å; Y345-F357 HydrophobicContact CE1-CE2 4.38Å; Y345-F357 AromaticContact CE1-CG 3.56Å; Y345-F357 HydrophobicContact CE1-CG 3.56Å; Y345-F357 HydrophobicContact CE1-CZ 4.23Å |
| 346 | R | 94.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 1% | 0.011 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -7.4 | 175.6 | -63.1 | -174.3 | -60.6 | 100.6 | -4.7 | 113.9 | P46 N47 I50 D339 T342 L343 S344 | P46-R346 CarbonylContact C-O 3.47Å; P46-R346 WeakPolarHBondContact CA-O 2.93Å; N47-R346 PolarHBondContact N-O 2.93Å; I50-R346 HydrophobicContact CD1-CB 4.47Å; I50-R346 HydrophobicContact CG2-CG 4.26Å; D339-R346 PolarHBondContact O-NH2 2.82Å; D339-R346 IonicContact OD1-CZ 2.64Å; D339-R346 IonicContact OD1-NH1 3.89Å; D339-R346 IonicContact OD1-NH2 2.91Å; D339-R346 PolarHBondContact OD1-NH2 2.93Å; T342-R346 WeakPolarHBondContact O-CG 3.31Å; T342-R346 PolarHBondContact O-NE 2.77Å; T342-R346 PolarHBondContact OG1-NE 2.76Å; T342-R346 PolarHBondContact OG1-NH2 2.89Å; L343-R346 CarbonylContact O-C 3.51Å; L343-R346 WeakPolarHBondContact O-CA 3.25Å; L343-R346 PolarHBondContact O-N 3.29Å; S344-R346 VanDerWaalsContact C-N 3.33Å |
| 347 | L | 91.6 | Very high | 93.8 | Very high | 26 Ų | 26 | 33 Ų | 33 | 14% | 0.136 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -66.5 | 152.6 | 172.5 | -65.7 | -178.1 | 0 | 0 | 0 | 111.6 | Q44 L45 L343 T350 | Q44-L347 WeakPolarHBondContact O-CD2 3.2Å; L45-L347 CarbonylContact O-C 3.5Å; L343-L347 HydrophobicContact CD1-CD2 4Å; L343-L347 HydrophobicContact CG-CD2 3.92Å; L343-L347 HydrophobicContact CG-CG 4.38Å; L343-L347 WeakPolarHBondContact O-CG 3.39Å; L343-L347 PolarHBondContact O-N 2.71Å; L347-T350 WeakPolarHBondContact O-CG2 3.46Å |
| 348 | R | 88.6 | Confident | 93.8 | Very high | 86 Ų | 86 | 33 Ų | 33 | 33% | 0.325 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 144 | 171 | -70.7 | 176.8 | -167.3 | -163.8 | -5.8 | 109.5 | E42 E43 L45 P46 N47 T350 | E42-R348 WeakPolarHBondContact O-CB 3.47Å; E42-R348 WeakPolarHBondContact O-CD 3.41Å; E42-R348 IonicContact OE2-CZ 3.28Å; E42-R348 IonicContact OE2-NH1 3.99Å; E42-R348 PolarHBondContact OE2-NH1 3.3Å; E43-R348 VanDerWaalsContact O-O 3.06Å; L45-R348 WeakPolarHBondContact O-CB 3.47Å; L45-R348 VanDerWaalsContact O-CG 3.31Å; L45-R348 WeakPolarHBondContact O-CG 3.3Å; L45-R348 PolarHBondContact O-N 2.83Å; P46-R348 PolarHBondContact O-NE 3.04Å; P46-R348 VanDerWaalsContact O-NE 3.14Å; N47-R348 HydrophobicContact CB-CG 3.94Å; R348-T350 PolarHBondContact O-N 3.47Å |
| 349 | Q | 81.5 | Confident | 93.7 | Very high | 152 Ų | 152 | 37.7 Ų | 37.7 | 71% | 0.71 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 11.8 | 177.6 | -53.1 | 178.4 | 6 | 0 | 0 | 115.4 | ||
| 350 | T | 86 | Confident | 93.5 | Very high | 22 Ų | 22 | 38.8 Ų | 38.8 | 14% | 0.135 | 19% | 0.194 | C | C | . | . | trans | -68.3 | 132.7 | 175.8 | -173.6 | 0 | 0 | 0 | 0 | 110.6 | R5 S344 L347 R348 E352 | R5-T350 VanDerWaalsContact NH2-CG2 3.3Å; R5-T350 PolarHBondContact NH2-O 3.07Å; S344-T350 VanDerWaalsContact O-CB 3.27Å; S344-T350 WeakPolarHBondContact O-CB 3.37Å; S344-T350 WeakPolarHBondContact O-CG2 3.33Å; S344-T350 PolarHBondContact O-OG1 2.99Å; L347-T350 WeakPolarHBondContact O-CG2 3.46Å; R348-T350 PolarHBondContact O-N 3.47Å; T350-E352 PolarHBondContact O-N 2.87Å; T350-E352 PolarHBondContact OG1-N 2.94Å | ||
| 351 | P | 84.7 | Confident | 93.4 | Very high | 115 Ų | 115 | 38.8 Ų | 38.8 | 75% | 0.747 | 19% | 0.194 | S | C | * | . | trans | -72 | -19.2 | 171.5 | 30.8 | -34.5 | 0 | 0 | 0 | 111.8 | R5 | R5-P351 PolarHBondContact NH1-O 2.96Å; R5-P351 VanDerWaalsContact NH1-O 3.09Å | ||
| 352 | E | 90.7 | Very high | 93.2 | Very high | 43 Ų | 43 | 39.6 Ų | 39.6 | 20% | 0.201 | 20% | 0.198 | C | C | . | . | trans | -67.5 | 135.9 | -175.6 | -65.8 | -64.8 | 165.2 | 0 | 0 | 112 | R5 Y345 T350 R356 | R5-E352 PolarHBondContact NH1-O 3.17Å; R5-E352 PolarHBondContact NH2-O 3.28Å; Y345-E352 WeakPolarHBondContact CB-O 3.34Å; T350-E352 PolarHBondContact O-N 2.87Å; T350-E352 PolarHBondContact OG1-N 2.94Å; E352-R356 VanDerWaalsContact OE2-CG 3.26Å; E352-R356 WeakPolarHBondContact OE2-CG 3.41Å | ||
| 353 | S | 94.6 | Very high | 93 | Very high | 29 Ų | 29 | 41 Ų | 41 | 20% | 0.203 | 21% | 0.208 | C | C | . | . | trans | -114.6 | 164.1 | 171.1 | 62.1 | 0 | 0 | 0 | 0 | 109.6 | L355 R356 F357 | S353-L355 VanDerWaalsContact C-N 3.26Å; S353-L355 PolarHBondContact O-N 3.35Å; S353-R356 PolarHBondContact O-N 2.8Å; S353-R356 WeakPolarHBondContact OG-CB 3.32Å; S353-R356 PolarHBondContact OG-N 3.44Å; S353-F357 WeakPolarHBondContact O-CB 3.42Å; S353-F357 PolarHBondContact O-N 3.22Å | ||
| 354 | L | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -54.3 | -44.9 | 173.5 | 177.3 | 59.7 | 0 | 0 | 0 | 111.6 | I7 Q223 A253 F255 Y345 R356 F357 C358 | I7-L354 HydrophobicContact CD1-CB 4.33Å; I7-L354 HydrophobicContact CD1-CD2 4.26Å; I7-L354 HydrophobicContact CG1-CD2 4.46Å; Q223-L354 HydrophobicContact CG-CB 4.34Å; A253-L354 HydrophobicContact CB-CD2 4.27Å; A253-L354 HydrophobicContact CB-CG 4.12Å; A253-L354 WeakPolarHBondContact O-CD2 3.5Å; F255-L354 HydrophobicContact CB-CD1 3.9Å; Y345-L354 HydrophobicContact CE1-CD1 4.23Å; Y345-L354 HydrophobicContact CE2-CD1 4.18Å; L354-R356 PolarHBondContact O-N 2.68Å; L354-F357 HydrophobicContact CD1-CD1 4.44Å; L354-F357 WeakPolarHBondContact O-CB 3.2Å; L354-F357 PolarHBondContact O-N 2.94Å; L354-C358 PolarHBondContact O-N 3.5Å; L354-C358 PolarHBondContact O-SG 2.87Å; L354-C358 VanDerWaalsContact O-SG 3.33Å |
| 355 | L | 97.1 | Very high | 92.6 | Very high | 77 Ų | 77 | 45 Ų | 45 | 40% | 0.403 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.2 | -51.5 | 176.4 | 176.3 | 59.2 | 0 | 0 | 0 | 111.2 | A253 L295 S353 F357 C358 E359 | A253-L355 HydrophobicContact CB-CB 4.03Å; A253-L355 HydrophobicContact CB-CD1 4.33Å; L295-L355 HydrophobicContact CD2-CD1 3.61Å; S353-L355 VanDerWaalsContact C-N 3.26Å; S353-L355 PolarHBondContact O-N 3.35Å; L355-F357 VanDerWaalsContact C-N 3.32Å; L355-F357 PolarHBondContact O-N 3.19Å; L355-C358 PolarHBondContact O-N 3.48Å; L355-E359 HydrophobicContact CD1-CG 4.14Å; L355-E359 WeakPolarHBondContact O-CG 2.94Å; L355-E359 PolarHBondContact O-N 3.46Å |
| 356 | R | 96 | Very high | 92.6 | Very high | 120 Ų | 120 | 45 Ų | 45 | 45% | 0.453 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64 | -39.5 | -178.7 | -174.2 | 65.1 | -174.9 | 113.7 | 6.8 | 111.9 | E352 S353 L354 E359 C360 | E352-R356 VanDerWaalsContact OE2-CG 3.26Å; E352-R356 WeakPolarHBondContact OE2-CG 3.41Å; S353-R356 PolarHBondContact O-N 2.8Å; S353-R356 WeakPolarHBondContact OG-CB 3.32Å; S353-R356 PolarHBondContact OG-N 3.44Å; L354-R356 PolarHBondContact O-N 2.68Å; R356-E359 PolarHBondContact O-N 2.56Å; R356-C360 PolarHBondContact NH1-SG 3.31Å; R356-C360 WeakPolarHBondContact O-CB 3.24Å; R356-C360 PolarHBondContact O-N 3.24Å; R356-C360 PolarHBondContact O-SG 3.05Å |
| 357 | F | 97.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 1% | 0.013 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 175 | 169.6 | -103.8 | 0 | 0 | 0 | 111.5 | F255 M296 Y345 S353 L354 L355 C360 S415 V516 | F255-F357 HydrophobicContact CD1-CE1 4.3Å; F255-F357 HydrophobicContact CE1-CE1 4.16Å; M296-F357 HydrophobicContact CE-CD1 3.98Å; M296-F357 HydrophobicContact CE-CE1 3.5Å; M296-F357 VanDerWaalsContact CE-CE1 3.5Å; M296-F357 HydrophobicContact CE-CZ 4.37Å; Y345-F357 HydrophobicContact CD1-CB 3.65Å; Y345-F357 AromaticContact CD1-CD1 3.96Å; Y345-F357 HydrophobicContact CD1-CD1 3.96Å; Y345-F357 AromaticContact CD1-CD2 3.99Å; Y345-F357 HydrophobicContact CD1-CD2 3.99Å; Y345-F357 AromaticContact CD1-CG 3.6Å; Y345-F357 HydrophobicContact CD1-CG 3.6Å; Y345-F357 HydrophobicContact CE1-CB 4.01Å; Y345-F357 AromaticContact CE1-CD1 3.41Å; Y345-F357 HydrophobicContact CE1-CD1 3.41Å; Y345-F357 VanDerWaalsContact CE1-CD1 3.41Å; Y345-F357 HydrophobicContact CE1-CD2 4.06Å; Y345-F357 AromaticContact CE1-CE1 3.76Å; Y345-F357 HydrophobicContact CE1-CE1 3.76Å; Y345-F357 HydrophobicContact CE1-CE2 4.38Å; Y345-F357 AromaticContact CE1-CG 3.56Å; Y345-F357 HydrophobicContact CE1-CG 3.56Å; Y345-F357 HydrophobicContact CE1-CZ 4.23Å; S353-F357 WeakPolarHBondContact O-CB 3.42Å; S353-F357 PolarHBondContact O-N 3.22Å; L354-F357 HydrophobicContact CD1-CD1 4.44Å; L354-F357 WeakPolarHBondContact O-CB 3.2Å; L354-F357 PolarHBondContact O-N 2.94Å; L355-F357 VanDerWaalsContact C-N 3.32Å; L355-F357 PolarHBondContact O-N 3.19Å; F357-C360 PolarHBondContact O-N 3.13Å; F357-S415 WeakPolarHBondContact CE2-OG 3.31Å; F357-V516 HydrophobicContact CZ-CB 4.41Å; F357-V516 HydrophobicContact CZ-CG2 3.9Å |
| 358 | C | 98 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.7 | -53.1 | 175.1 | -68.6 | 0 | 0 | 0 | 0 | 111.3 | L295 M296 L354 L355 C360 V361 T362 | L295-C358 HydrophobicContact CD2-CB 3.55Å; L295-C358 HydrophobicContact CG-CB 3.89Å; M296-C358 HydrophobicContact CB-CB 4.11Å; M296-C358 HydrophobicContact SD-CB 4.41Å; L354-C358 PolarHBondContact O-N 3.5Å; L354-C358 PolarHBondContact O-SG 2.87Å; L354-C358 VanDerWaalsContact O-SG 3.33Å; L355-C358 PolarHBondContact O-N 3.48Å; C358-C360 PolarHBondContact O-N 3.22Å; C358-V361 CarbonylContact O-C 3.54Å; C358-V361 WeakPolarHBondContact O-CG2 3.46Å; C358-V361 PolarHBondContact O-N 3.43Å; C358-T362 PolarHBondContact O-N 2.75Å; C358-T362 PolarHBondContact O-OG1 3.31Å |
| 359 | E | 95.4 | Very high | 93.5 | Very high | 100 Ų | 100 | 42.2 Ų | 42.2 | 47% | 0.467 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.5 | -32.1 | -178.9 | -71.7 | 176.3 | 159.7 | 0 | 0 | 113.3 | L355 R356 V361 | L355-E359 HydrophobicContact CD1-CG 4.14Å; L355-E359 WeakPolarHBondContact O-CG 2.94Å; L355-E359 PolarHBondContact O-N 3.46Å; R356-E359 PolarHBondContact O-N 2.56Å; E359-V361 PolarHBondContact O-N 3.18Å |
| 360 | C | 94.6 | Very high | 94.3 | Very high | 24 Ų | 24 | 35 Ų | 35 | 16% | 0.162 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.4 | 175.5 | -81.2 | 0 | 0 | 0 | 0 | 113.5 | R356 F357 C358 V413 | R356-C360 PolarHBondContact NH1-SG 3.31Å; R356-C360 WeakPolarHBondContact O-CB 3.24Å; R356-C360 PolarHBondContact O-N 3.24Å; R356-C360 PolarHBondContact O-SG 3.05Å; F357-C360 PolarHBondContact O-N 3.13Å; C358-C360 PolarHBondContact O-N 3.22Å; C360-V413 WeakPolarHBondContact O-CG1 3.41Å |
| 361 | V | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | 1.4 | -176.7 | -60.4 | 0 | 0 | 0 | 0 | 113.9 | M296 C358 E359 P363 T369 S415 V516 N518 | M296-V361 HydrophobicContact CE-CG2 4.33Å; M296-V361 HydrophobicContact SD-CG2 3.27Å; M296-V361 WeakPolarHBondContact SD-CG2 3.36Å; C358-V361 CarbonylContact O-C 3.54Å; C358-V361 WeakPolarHBondContact O-CG2 3.46Å; C358-V361 PolarHBondContact O-N 3.43Å; E359-V361 PolarHBondContact O-N 3.18Å; V361-P363 VanDerWaalsContact O-CD 3.3Å; V361-P363 WeakPolarHBondContact O-CD 3.3Å; V361-T369 HydrophobicContact CB-CG2 4.48Å; V361-T369 HydrophobicContact CG2-CG2 4.18Å; V361-S415 VanDerWaalsContact CG1-N 3.3Å; V361-V516 HydrophobicContact CG2-CG1 3.96Å; V361-N518 WeakPolarHBondContact O-CB 3.01Å; V361-N518 PolarHBondContact O-ND2 3.47Å |
| 362 | T | 95.4 | Very high | 95.6 | Very high | 18 Ų | 18 | 28.5 Ų | 28.5 | 11% | 0.11 | 16% | 0.159 | C | C | . | . | trans | -118.6 | 56.9 | 178.6 | 58 | 0 | 0 | 0 | 0 | 113.6 | M296 C358 R366 T369 | M296-T362 HydrophobicContact CB-CG2 3.89Å; M296-T362 HydrophobicContact CG-CG2 3.67Å; M296-T362 HydrophobicContact SD-CG2 3.83Å; C358-T362 PolarHBondContact O-N 2.75Å; C358-T362 PolarHBondContact O-OG1 3.31Å; T362-R366 VanDerWaalsContact CA-O 3.25Å; T362-R366 WeakPolarHBondContact CA-O 3.27Å; T362-R366 WeakPolarHBondContact CB-O 3.35Å; T362-R366 WeakPolarHBondContact CG2-O 3.37Å; T362-T369 HydrophobicContact CG2-CG2 4.27Å | ||
| 363 | P | 92.3 | Very high | 96 | Very high | 30 Ų | 30 | 26.4 Ų | 26.4 | 20% | 0.195 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -65.8 | 151 | -179.4 | 31.6 | -37.6 | 0 | 0 | 0 | 111.9 | V361 G365 R366 V413 L574 | V361-P363 VanDerWaalsContact O-CD 3.3Å; V361-P363 WeakPolarHBondContact O-CD 3.3Å; P363-G365 PolarHBondContact O-N 2.96Å; P363-G365 VanDerWaalsContact O-N 3.15Å; P363-R366 VanDerWaalsContact O-CB 3.29Å; P363-R366 WeakPolarHBondContact O-CB 3.12Å; P363-R366 WeakPolarHBondContact O-CG 3.34Å; P363-R366 PolarHBondContact O-N 3.26Å; P363-V413 HydrophobicContact CG-CB 4.36Å; P363-V413 HydrophobicContact CG-CG2 3.97Å; P363-L574 HydrophobicContact CB-CD2 4.1Å; P363-L574 HydrophobicContact CG-CD2 3.59Å |
| 364 | A | 88.6 | Confident | 96.1 | Very high | 57 Ų | 57 | 25.5 Ų | 25.5 | 47% | 0.471 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | 53.2 | 35.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R366 Y573 | A364-R366 VanDerWaalsContact C-N 3.28Å; A364-R366 PolarHBondContact O-N 3.17Å; A364-Y573 HydrophobicContact CB-CG 4.43Å |
| 365 | G | 90 | Very high | 96.2 | Very high | 39 Ų | 39 | 25.7 Ų | 25.7 | 40% | 0.402 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | 78.6 | 3.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P363 K367 L567 | P363-G365 PolarHBondContact O-N 2.96Å; P363-G365 VanDerWaalsContact O-N 3.15Å; G365-K367 PolarHBondContact O-N 2.91Å; G365-L567 WeakPolarHBondContact O-CD1 3.4Å |
| 366 | R | 94.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | trans | -71.2 | 94 | 177.7 | -66.6 | 178.1 | -175.7 | 162.5 | 4.1 | 111.3 | T362 P363 A364 N518 L567 Y568 D570 | T362-R366 VanDerWaalsContact CA-O 3.25Å; T362-R366 WeakPolarHBondContact CA-O 3.27Å; T362-R366 WeakPolarHBondContact CB-O 3.35Å; T362-R366 WeakPolarHBondContact CG2-O 3.37Å; P363-R366 VanDerWaalsContact O-CB 3.29Å; P363-R366 WeakPolarHBondContact O-CB 3.12Å; P363-R366 WeakPolarHBondContact O-CG 3.34Å; P363-R366 PolarHBondContact O-N 3.26Å; A364-R366 VanDerWaalsContact C-N 3.28Å; A364-R366 PolarHBondContact O-N 3.17Å; R366-N518 WeakPolarHBondContact CB-ND2 3.14Å; R366-N518 VanDerWaalsContact CD-OD1 3.3Å; R366-N518 WeakPolarHBondContact CD-OD1 3.35Å; R366-N518 PolarHBondContact O-ND2 3.3Å; R366-N518 VanDerWaalsContact O-ND2 3.07Å; R366-L567 HydrophobicContact CG-CB 4.25Å; R366-L567 PolarHBondContact NE-O 2.92Å; R366-L567 PolarHBondContact NH2-O 3.15Å; R366-Y568 VanDerWaalsContact C-OH 3.28Å; R366-Y568 WeakPolarHBondContact CA-OH 3.39Å; R366-Y568 HydrophobicContact CB-CE1 3.75Å; R366-Y568 HydrophobicContact CB-CE2 4.34Å; R366-Y568 WeakPolarHBondContact CB-OH 3.32Å; R366-Y568 HydrophobicContact CG-CD1 4.1Å; R366-Y568 HydrophobicContact CG-CE1 3.79Å; R366-Y568 HydrophobicContact CG-CE2 4.24Å; R366-Y568 HydrophobicContact CG-CG 4.47Å; R366-D570 PolarHBondContact NH2-O 3.48Å | ||
| 367 | K | 97.4 | Very high | 96.2 | Very high | 57 Ų | 57 | 17.1 Ų | 17.1 | 25% | 0.248 | 11% | 0.108 | C | C | . | . | trans | -81.7 | -26.6 | -176.2 | -66.5 | 168 | 172 | -169.8 | 0 | 114.6 | S291 E292 A294 M296 F297 G365 F564 Y568 | S291-K367 WeakPolarHBondContact O-CD 3.39Å; S291-K367 WeakPolarHBondContact O-CE 3.47Å; S291-K367 PolarHBondContact O-NZ 2.75Å; E292-K367 PolarHBondContact O-NZ 2.63Å; A294-K367 VanDerWaalsContact O-CD 3.28Å; A294-K367 WeakPolarHBondContact O-CD 3.05Å; A294-K367 WeakPolarHBondContact O-CE 3.41Å; M296-K367 CarbonylContact C-O 3.6Å; M296-K367 VanDerWaalsContact CA-O 3.3Å; M296-K367 WeakPolarHBondContact CA-O 3.45Å; F297-K367 HydrophobicContact CD1-CB 4.2Å; F297-K367 HydrophobicContact CE1-CB 4.09Å; F297-K367 PolarHBondContact N-O 3.21Å; G365-K367 PolarHBondContact O-N 2.91Å; K367-F564 HydrophobicContact CB-CE2 4.05Å; K367-F564 HydrophobicContact CB-CZ 3.99Å; K367-F564 HydrophobicContact CD-CE2 4.49Å; K367-Y568 PolarHBondContact N-OH 2.96Å | ||
| 368 | M | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | B | Isolated β-bridge | trans | -81.5 | 132.7 | 177.1 | -175 | -174.5 | 160.1 | 0 | 0 | 110.9 | Y287 F297 P299 T402 N518 L522 H525 L526 F564 Y568 | Y287-M368 HydrophobicContact CE1-SD 3.99Å; F297-M368 HydrophobicContact CD2-CB 4.32Å; F297-M368 HydrophobicContact CD2-CG 4.17Å; F297-M368 HydrophobicContact CE1-CB 4.03Å; F297-M368 HydrophobicContact CE2-CB 3.67Å; F297-M368 HydrophobicContact CE2-CG 3.58Å; F297-M368 HydrophobicContact CE2-SD 4.25Å; F297-M368 HydrophobicContact CZ-CB 3.52Å; F297-M368 HydrophobicContact CZ-CG 3.97Å; F297-M368 WeakPolarHBondContact O-CA 3.47Å; P299-M368 HydrophobicContact CG-CE 4.16Å; M368-T402 HydrophobicContact CE-CG2 4.08Å; M368-N518 PolarHBondContact O-ND2 2.92Å; M368-L522 WeakPolarHBondContact O-CD1 3.48Å; M368-H525 HydrophobicContact CE-CB 4.13Å; M368-H525 WeakPolarHBondContact CE-CD2 3.26Å; M368-L526 HydrophobicContact SD-CD2 3.92Å; M368-L526 HydrophobicContact SD-CG 4.25Å; M368-F564 HydrophobicContact CB-CE1 4.06Å; M368-F564 HydrophobicContact CB-CZ 4.09Å; M368-Y568 VanDerWaalsContact CA-OH 3.32Å; M368-Y568 WeakPolarHBondContact CA-OH 3.23Å; M368-Y568 VanDerWaalsContact CB-OH 3.27Å; M368-Y568 WeakPolarHBondContact CB-OH 3.32Å; M368-Y568 PolarHBondContact N-OH 2.79Å; M368-Y568 PolarHBondContact O-OH 2.97Å |
| 369 | T | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -126.6 | 159.2 | 173.7 | 47.6 | 0 | 0 | 0 | 0 | 111.5 | M296 F297 T298 P299 V361 T362 V516 Q517 N518 | M296-T369 HydrophobicContact CG-CG2 4.08Å; M296-T369 HydrophobicContact SD-CG2 3.89Å; F297-T369 PolarHBondContact O-N 3.25Å; F297-T369 PolarHBondContact O-OG1 3.09Å; T298-T369 PolarHBondContact OG1-OG1 3Å; P299-T369 WeakPolarHBondContact CD-O 3.26Å; V361-T369 HydrophobicContact CB-CG2 4.48Å; V361-T369 HydrophobicContact CG2-CG2 4.18Å; T362-T369 HydrophobicContact CG2-CG2 4.27Å; T369-V516 VanDerWaalsContact CB-CG1 3.49Å; T369-V516 HydrophobicContact CG2-CG1 3.82Å; T369-V516 WeakPolarHBondContact OG1-CG1 3.49Å; T369-Q517 CarbonylContact C-O 3.47Å; T369-Q517 WeakPolarHBondContact CA-O 3.38Å; T369-Q517 WeakPolarHBondContact CB-O 3.5Å; T369-N518 HydrophobicContact CG2-CB 4.11Å | ||
| 370 | A | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 146.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T402 C405 V516 Q517 L522 | A370-T402 VanDerWaalsContact CA-OG1 3.3Å; A370-T402 WeakPolarHBondContact CA-OG1 3.24Å; A370-T402 HydrophobicContact CB-CG2 4.48Å; A370-C405 HydrophobicContact CB-CB 4.25Å; A370-V516 WeakPolarHBondContact O-CA 3.1Å; A370-Q517 PolarHBondContact N-O 3.28Å; A370-Q517 PolarHBondContact O-N 3.29Å; A370-L522 HydrophobicContact CB-CD1 4.39Å; A370-L522 HydrophobicContact CB-CD2 3.73Å |
| 371 | A | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 129.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T298 L300 F337 Q400 L401 T402 A515 | T298-A371 HydrophobicContact CG2-CB 3.64Å; L300-A371 HydrophobicContact CD2-CB 3.32Å; F337-A371 HydrophobicContact CD1-CB 4.32Å; F337-A371 HydrophobicContact CD2-CB 4.05Å; F337-A371 HydrophobicContact CE1-CB 3.77Å; F337-A371 HydrophobicContact CE2-CB 3.46Å; F337-A371 VanDerWaalsContact CE2-CB 3.46Å; F337-A371 HydrophobicContact CG-CB 4.45Å; F337-A371 HydrophobicContact CZ-CB 3.29Å; A371-Q400 CarbonylContact O-C 3.5Å; A371-Q400 VanDerWaalsContact O-CA 3.29Å; A371-Q400 WeakPolarHBondContact O-CA 3.29Å; A371-Q400 PolarHBondContact O-OE1 2.78Å; A371-L401 HydrophobicContact CB-CB 3.91Å; A371-L401 PolarHBondContact O-N 3.4Å; A371-T402 PolarHBondContact N-OG1 2.83Å; A371-A515 CarbonylContact C-O 3.5Å; A371-A515 WeakPolarHBondContact CA-O 3.12Å |
| 372 | G | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 140.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A514 A515 | G372-A514 CarbonylContact O-C 2.97Å; G372-A514 WeakPolarHBondContact O-CA 3.25Å; G372-A515 PolarHBondContact N-O 3.43Å; G372-A515 PolarHBondContact O-N 3.27Å |
| 373 | L | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 136.8 | 179.6 | -178.2 | 67.5 | 0 | 0 | 0 | 111.6 | L317 F337 L375 T399 L401 M512 L513 | L317-L373 HydrophobicContact CD2-CD2 3.77Å; L317-L373 HydrophobicContact CD2-CG 4.08Å; F337-L373 HydrophobicContact CB-CD1 4.2Å; F337-L373 HydrophobicContact CB-CD2 4.48Å; L373-L375 HydrophobicContact CD1-CB 4.34Å; L373-L375 HydrophobicContact CD2-CB 4.35Å; L373-L375 HydrophobicContact CG-CB 4.28Å; L373-T399 PolarHBondContact N-O 3.24Å; L373-T399 PolarHBondContact O-N 3.18Å; L373-L401 HydrophobicContact CB-CD1 3.68Å; L373-L401 HydrophobicContact CB-CD2 4.48Å; L373-L401 HydrophobicContact CB-CG 3.93Å; L373-L401 HydrophobicContact CD2-CD1 3.78Å; L373-L401 HydrophobicContact CG-CD1 4.3Å; L373-M512 HydrophobicContact CD1-CE 3.29Å; L373-L513 CarbonylContact C-O 3.53Å; L373-L513 WeakPolarHBondContact CA-O 3.3Å |
| 374 | A | 98.4 | Very high | 95.7 | Very high | 10 Ų | 10 | 24.9 Ų | 24.9 | 8% | 0.083 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 107 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | P376 F377 L397 L398 M512 L513 | A374-P376 CarbonylContact C-O 3.53Å; A374-F377 HydrophobicContact CB-CD2 4.13Å; A374-L397 WeakPolarHBondContact CB-O 3.5Å; A374-L398 HydrophobicContact CB-CD2 3.99Å; A374-M512 WeakPolarHBondContact O-CA 3.43Å; A374-M512 VanDerWaalsContact O-CB 3.23Å; A374-M512 WeakPolarHBondContact O-CB 3.01Å; A374-L513 HydrophobicContact CB-CB 4.18Å; A374-L513 PolarHBondContact N-O 3.05Å; A374-L513 PolarHBondContact O-N 3.18Å |
| 375 | L | 98.2 | Very high | 96.2 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -136.8 | 119.5 | 177.1 | 175.4 | 64.6 | 0 | 0 | 0 | 108.3 | L320 L333 A336 L373 L473 F479 F484 A510 M512 | L320-L375 HydrophobicContact CD1-CB 4.34Å; L320-L375 HydrophobicContact CD1-CD2 4.35Å; L320-L375 HydrophobicContact CD1-CG 4.15Å; L320-L375 WeakPolarHBondContact CD1-O 3.25Å; L320-L375 VanDerWaalsContact CG-O 3.25Å; L320-L375 WeakPolarHBondContact CG-O 3.19Å; L333-L375 HydrophobicContact CD2-CD2 4.35Å; A336-L375 HydrophobicContact CB-CD2 3.99Å; L373-L375 HydrophobicContact CD1-CB 4.34Å; L373-L375 HydrophobicContact CD2-CB 4.35Å; L373-L375 HydrophobicContact CG-CB 4.28Å; L375-L473 HydrophobicContact CD1-CD2 3.67Å; L375-L473 HydrophobicContact CD2-CD2 3.76Å; L375-L473 HydrophobicContact CG-CD2 4.4Å; L375-F479 HydrophobicContact CD2-CZ 4.23Å; L375-F484 HydrophobicContact CD1-CE1 4.38Å; L375-F484 HydrophobicContact CD1-CZ 4.23Å; L375-F484 HydrophobicContact CG-CZ 4.42Å; L375-A510 HydrophobicContact CD1-CB 3.92Å; L375-M512 HydrophobicContact CB-CB 4.33Å; L375-M512 HydrophobicContact CD1-CB 3.86Å; L375-M512 HydrophobicContact CD1-SD 4.23Å |
| 376 | P | 97 | Very high | 96.5 | Very high | 10 Ų | 10 | 20.5 Ų | 20.5 | 7% | 0.065 | 11% | 0.114 | C | C | . | . | S | Bend | cis | -60.4 | 163.3 | -18.4 | 29.7 | -33.5 | 0 | 0 | 0 | 111.6 | A374 G378 I488 G492 A510 P511 | A374-P376 CarbonylContact C-O 3.53Å; P376-G378 PolarHBondContact O-N 3.36Å; P376-G378 VanDerWaalsContact O-N 3.14Å; P376-I488 HydrophobicContact CG-CD1 3.87Å; P376-I488 HydrophobicContact CG-CG1 4.33Å; P376-I488 HydrophobicContact CG-CG2 4.37Å; P376-G492 WeakPolarHBondContact CB-O 3.12Å; P376-A510 HydrophobicContact CB-CB 4.29Å; P376-P511 CarbonylContact C-O 3.58Å; P376-P511 WeakPolarHBondContact CA-O 3.09Å |
| 377 | F | 96 | Very high | 96.6 | Very high | 7 Ų | 7 | 22 Ų | 22 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | trans | -60.9 | -25.5 | -176.7 | -176.6 | -136.4 | 0 | 0 | 0 | 113.8 | A374 L379 L385 F388 I421 P511 L513 | A374-F377 HydrophobicContact CB-CD2 4.13Å; F377-L379 HydrophobicContact CD1-CD1 3.85Å; F377-L379 HydrophobicContact CD1-CG 3.91Å; F377-L379 HydrophobicContact CE1-CD1 4.27Å; F377-L379 HydrophobicContact CE1-CG 4.28Å; F377-L385 HydrophobicContact CE1-CD1 3.65Å; F377-L385 HydrophobicContact CZ-CD1 4.2Å; F377-F388 HydrophobicContact CD1-CE1 4.39Å; F377-F388 HydrophobicContact CE1-CD1 4.05Å; F377-F388 AromaticContact CE1-CE1 3.77Å; F377-F388 HydrophobicContact CE1-CE1 3.77Å; F377-F388 HydrophobicContact CE2-CE1 4.04Å; F377-F388 HydrophobicContact CZ-CD1 4.15Å; F377-F388 AromaticContact CZ-CE1 3.59Å; F377-F388 HydrophobicContact CZ-CE1 3.59Å; F377-I421 HydrophobicContact CD1-CD1 3.58Å; F377-I421 HydrophobicContact CD1-CG1 4.39Å; F377-I421 HydrophobicContact CE1-CD1 3.6Å; F377-P511 HydrophobicContact CB-CB 4.15Å; F377-P511 HydrophobicContact CB-CG 4.37Å; F377-P511 PolarHBondContact N-O 3.34Å; F377-L513 HydrophobicContact CD2-CB 3.55Å; F377-L513 HydrophobicContact CD2-CD2 4.29Å; F377-L513 HydrophobicContact CD2-CG 4.45Å; F377-L513 HydrophobicContact CE2-CB 3.73Å; F377-L513 HydrophobicContact CE2-CD1 4.48Å; F377-L513 HydrophobicContact CE2-CD2 3.57Å; F377-L513 HydrophobicContact CE2-CG 4.13Å; F377-L513 HydrophobicContact CZ-CD2 4.35Å | ||
| 378 | G | 93.3 | Very high | 96.6 | Very high | 28 Ų | 28 | 20.5 Ų | 20.5 | 29% | 0.289 | 12% | 0.115 | S | C | . | . | trans | 105.4 | -1.5 | 173 | 0 | 0 | 0 | 0 | 0 | 115.7 | P376 R380 | P376-G378 PolarHBondContact O-N 3.36Å; P376-G378 VanDerWaalsContact O-N 3.14Å; G378-R380 PolarHBondContact O-N 3.48Å | ||
| 379 | L | 95.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -56 | 133.8 | 173.2 | -78.6 | 168.3 | 0 | 0 | 0 | 111.3 | F377 Q383 F388 I421 Y493 R494 | F377-L379 HydrophobicContact CD1-CD1 3.85Å; F377-L379 HydrophobicContact CD1-CG 3.91Å; F377-L379 HydrophobicContact CE1-CD1 4.27Å; F377-L379 HydrophobicContact CE1-CG 4.28Å; L379-Q383 HydrophobicContact CD2-CG 4.47Å; L379-F388 HydrophobicContact CD2-CB 3.36Å; L379-F388 HydrophobicContact CD2-CD1 4.05Å; L379-F388 HydrophobicContact CD2-CD2 4.05Å; L379-F388 HydrophobicContact CD2-CG 3.55Å; L379-F388 HydrophobicContact CG-CG 4.29Å; L379-I421 HydrophobicContact CD1-CD1 4.16Å; L379-I421 HydrophobicContact CD1-CG1 4.09Å; L379-I421 HydrophobicContact CD1-CG2 4.24Å; L379-Y493 HydrophobicContact CB-CD1 3.72Å; L379-Y493 HydrophobicContact CB-CE1 3.98Å; L379-Y493 HydrophobicContact CD1-CE1 4.15Å; L379-Y493 WeakPolarHBondContact O-CA 3.4Å; L379-R494 PolarHBondContact O-N 3.47Å |
| 380 | R | 96.2 | Very high | 96.2 | Very high | 118 Ų | 118 | 25.6 Ų | 25.6 | 45% | 0.445 | 14% | 0.142 | S | C | . | . | B | Isolated β-bridge | trans | -74.7 | 157.1 | 171.7 | -62 | 175.9 | -176.1 | 175.6 | 0.3 | 111.4 | G378 G382 Q383 R425 R494 | G378-R380 PolarHBondContact O-N 3.48Å; R380-G382 PolarHBondContact O-N 2.91Å; R380-Q383 HydrophobicContact CB-CB 3.9Å; R380-Q383 VanDerWaalsContact N-OE1 3.12Å; R380-Q383 WeakPolarHBondContact O-CB 3.25Å; R380-Q383 PolarHBondContact O-N 3.14Å; R380-Q383 VanDerWaalsContact O-N 3.14Å; R380-R425 PolarHBondContact O-NH2 3.49Å; R380-R494 CarbonylContact C-O 3.57Å; R380-R494 VanDerWaalsContact CA-O 3.31Å; R380-R494 WeakPolarHBondContact CA-O 3.18Å; R380-R494 HydrophobicContact CG-CB 4.4Å |
| 381 | E | 91.7 | Very high | 96 | Very high | 118 Ų | 118 | 30.9 Ų | 30.9 | 55% | 0.551 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | 126.9 | 171.3 | -168.3 | 172 | -149.3 | 0 | 0 | 110.6 | Q383 R494 | E381-Q383 VanDerWaalsContact C-N 3.25Å; E381-Q383 PolarHBondContact O-N 3.3Å; E381-R494 PolarHBondContact N-O 3.45Å |
| 382 | G | 90.7 | Very high | 95.6 | Very high | 51 Ų | 51 | 31.7 Ų | 31.7 | 53% | 0.526 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | -2.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | R380 | R380-G382 PolarHBondContact O-N 2.91Š|
| 383 | Q | 95.3 | Very high | 94.8 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 6% | 0.061 | 19% | 0.188 | C | C | . | . | trans | -80.2 | 134.3 | 177.4 | 178.6 | 175.3 | 35.7 | 0 | 0 | 112.2 | L379 R380 E381 E387 F388 R425 | L379-Q383 HydrophobicContact CD2-CG 4.47Å; R380-Q383 HydrophobicContact CB-CB 3.9Å; R380-Q383 VanDerWaalsContact N-OE1 3.12Å; R380-Q383 WeakPolarHBondContact O-CB 3.25Å; R380-Q383 PolarHBondContact O-N 3.14Å; R380-Q383 VanDerWaalsContact O-N 3.14Å; E381-Q383 VanDerWaalsContact C-N 3.25Å; E381-Q383 PolarHBondContact O-N 3.3Å; Q383-E387 HydrophobicContact CG-CB 4.2Å; Q383-F388 HydrophobicContact CG-CB 4.2Å; Q383-R425 VanDerWaalsContact N-NH2 3.12Å; Q383-R425 VanDerWaalsContact O-CZ 3.25Å; Q383-R425 PolarHBondContact O-NE 2.81Å; Q383-R425 PolarHBondContact O-NH2 3.26Å | ||
| 384 | D | 97.3 | Very high | 93.8 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | trans | -81.9 | 153.3 | 174.2 | -57.1 | -46.3 | 0 | 0 | 0 | 111.6 | I386 E387 F388 R425 R428 Q436 | D384-I386 VanDerWaalsContact C-N 3.26Å; D384-I386 HydrophobicContact CB-CG2 4.06Å; D384-I386 PolarHBondContact O-N 2.93Å; D384-E387 PolarHBondContact O-N 3.48Å; D384-E387 VanDerWaalsContact O-N 3.1Å; D384-F388 PolarHBondContact O-N 3.06Å; D384-R425 CarbonylContact C-O 3.53Å; D384-R425 WeakPolarHBondContact CA-O 3.11Å; D384-R428 VanDerWaalsContact OD2-CG 3.32Å; D384-R428 WeakPolarHBondContact OD2-CG 3.27Å; D384-R428 IonicContact OD2-CZ 3.53Å; D384-R428 IonicContact OD2-NE 3.85Å; D384-R428 PolarHBondContact OD2-NE 2.86Å; D384-R428 IonicContact OD2-NH2 3.36Å; D384-Q436 PolarHBondContact OD2-NE2 3.03Å | ||
| 385 | L | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.9 | -42.4 | 178.7 | -179.4 | 62.1 | 0 | 0 | 0 | 111.7 | F377 E387 F388 L389 I421 R425 L426 I447 M450 | F377-L385 HydrophobicContact CE1-CD1 3.65Å; F377-L385 HydrophobicContact CZ-CD1 4.2Å; L385-E387 VanDerWaalsContact C-N 3.29Å; L385-E387 PolarHBondContact O-N 3.05Å; L385-F388 HydrophobicContact CD1-CD1 4.36Å; L385-F388 PolarHBondContact O-N 3.13Å; L385-L389 HydrophobicContact CD1-CD1 3.88Å; L385-L389 HydrophobicContact CD1-CD2 4.33Å; L385-L389 HydrophobicContact CD1-CG 3.86Å; L385-L389 HydrophobicContact CD2-CD1 4.38Å; L385-L389 HydrophobicContact CG-CD1 3.8Å; L385-L389 HydrophobicContact CG-CG 4.19Å; L385-L389 WeakPolarHBondContact O-CG 3.5Å; L385-L389 PolarHBondContact O-N 2.97Å; L385-I421 HydrophobicContact CD1-CD1 4.34Å; L385-R425 WeakPolarHBondContact CB-O 3.47Å; L385-R425 PolarHBondContact N-O 2.78Å; L385-L426 HydrophobicContact CD2-CD1 4.1Å; L385-I447 HydrophobicContact CD2-CB 4.22Å; L385-I447 HydrophobicContact CD2-CG1 4.11Å; L385-I447 HydrophobicContact CD2-CG2 3.78Å; L385-M450 HydrophobicContact CB-SD 4.19Å; L385-M450 HydrophobicContact CD2-SD 3.98Å; L385-M450 HydrophobicContact CG-SD 3.86Å |
| 386 | I | 97.5 | Very high | 92.7 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58 | -41.6 | 178.5 | -165.3 | 175.7 | 0 | 0 | 0 | 112.2 | D384 D390 L426 K427 Q436 M439 A441 Y442 M450 | D384-I386 VanDerWaalsContact C-N 3.26Å; D384-I386 HydrophobicContact CB-CG2 4.06Å; D384-I386 PolarHBondContact O-N 2.93Å; I386-D390 WeakPolarHBondContact O-CB 3.23Å; I386-D390 PolarHBondContact O-N 3.4Å; I386-D390 VanDerWaalsContact O-N 3.16Å; I386-L426 PolarHBondContact N-O 2.79Å; I386-L426 VanDerWaalsContact N-O 3.15Å; I386-K427 HydrophobicContact CB-CB 4.44Å; I386-K427 HydrophobicContact CG2-CB 3.96Å; I386-Q436 HydrophobicContact CD1-CB 4.44Å; I386-Q436 HydrophobicContact CG2-CB 4.49Å; I386-Q436 VanDerWaalsContact CG2-CD 3.49Å; I386-Q436 HydrophobicContact CG2-CG 3.94Å; I386-M439 HydrophobicContact CD1-CB 4.01Å; I386-M439 HydrophobicContact CD1-SD 3.97Å; I386-M439 HydrophobicContact CG1-CB 4.47Å; I386-M439 HydrophobicContact CG1-SD 3.76Å; I386-A441 HydrophobicContact CD1-CB 4.21Å; I386-A441 HydrophobicContact CG1-CB 4.13Å; I386-Y442 HydrophobicContact CD1-CD2 4.17Å; I386-M450 HydrophobicContact CB-CE 3.74Å; I386-M450 HydrophobicContact CB-SD 3.81Å; I386-M450 HydrophobicContact CD1-CE 4.2Å; I386-M450 HydrophobicContact CG1-CE 4.01Å; I386-M450 HydrophobicContact CG1-SD 4.29Å |
| 387 | E | 96 | Very high | 92.6 | Very high | 33 Ų | 33 | 51.2 Ų | 51.2 | 15% | 0.154 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -72.3 | -38 | 178.9 | -64.2 | 179 | 166 | 0 | 0 | 111.2 | Q383 D384 L385 Q391 R428 Q436 | Q383-E387 HydrophobicContact CG-CB 4.2Å; D384-E387 PolarHBondContact O-N 3.48Å; D384-E387 VanDerWaalsContact O-N 3.1Å; L385-E387 VanDerWaalsContact C-N 3.29Å; L385-E387 PolarHBondContact O-N 3.05Å; E387-Q391 VanDerWaalsContact O-CB 3.31Å; E387-Q391 WeakPolarHBondContact O-CB 3.32Å; E387-Q391 WeakPolarHBondContact O-CG 3.47Å; E387-Q391 PolarHBondContact O-N 2.97Å; E387-R428 IonicContact OE1-CZ 2.95Å; E387-R428 IonicContact OE1-NH1 2.8Å; E387-R428 PolarHBondContact OE1-NH1 3.46Å; E387-R428 IonicContact OE1-NH2 3.43Å; E387-R428 PolarHBondContact OE1-NH2 2.74Å; E387-R428 IonicContact OE2-CZ 3.09Å; E387-R428 IonicContact OE2-NH2 2.71Å; E387-R428 PolarHBondContact OE2-NH2 3.47Å; E387-R428 VanDerWaalsContact OE2-NH2 3.13Å; E387-Q436 VanDerWaalsContact CD-NE2 3.31Å; E387-Q436 HydrophobicContact CG-CG 4.15Å; E387-Q436 PolarHBondContact OE1-NE2 3.26Å |
| 388 | F | 96.5 | Very high | 92.6 | Very high | 25 Ų | 25 | 51.6 Ų | 51.6 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.6 | -46.5 | 177.8 | 172.3 | -98.9 | 0 | 0 | 0 | 112.4 | F377 L379 Q383 D384 L385 Q391 S392 L397 | F377-F388 HydrophobicContact CD1-CE1 4.39Å; F377-F388 HydrophobicContact CE1-CD1 4.05Å; F377-F388 AromaticContact CE1-CE1 3.77Å; F377-F388 HydrophobicContact CE1-CE1 3.77Å; F377-F388 HydrophobicContact CE2-CE1 4.04Å; F377-F388 HydrophobicContact CZ-CD1 4.15Å; F377-F388 AromaticContact CZ-CE1 3.59Å; F377-F388 HydrophobicContact CZ-CE1 3.59Å; L379-F388 HydrophobicContact CD2-CB 3.36Å; L379-F388 HydrophobicContact CD2-CD1 4.05Å; L379-F388 HydrophobicContact CD2-CD2 4.05Å; L379-F388 HydrophobicContact CD2-CG 3.55Å; L379-F388 HydrophobicContact CG-CG 4.29Å; Q383-F388 HydrophobicContact CG-CB 4.2Å; D384-F388 PolarHBondContact O-N 3.06Å; L385-F388 HydrophobicContact CD1-CD1 4.36Å; L385-F388 PolarHBondContact O-N 3.13Å; F388-Q391 PolarHBondContact O-N 3.28Å; F388-S392 WeakPolarHBondContact O-CB 3.47Å; F388-S392 PolarHBondContact O-N 3.3Å; F388-S392 PolarHBondContact O-OG 2.84Å; F388-L397 HydrophobicContact CE1-CD2 4.14Å; F388-L397 HydrophobicContact CZ-CD2 4.42Å |
| 389 | L | 96 | Very high | 92.8 | Very high | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 179.9 | -67 | 176.6 | 0 | 0 | 0 | 111.5 | L385 S392 G393 L397 M450 L451 Y454 | L385-L389 HydrophobicContact CD1-CD1 3.88Å; L385-L389 HydrophobicContact CD1-CD2 4.33Å; L385-L389 HydrophobicContact CD1-CG 3.86Å; L385-L389 HydrophobicContact CD2-CD1 4.38Å; L385-L389 HydrophobicContact CG-CD1 3.8Å; L385-L389 HydrophobicContact CG-CG 4.19Å; L385-L389 WeakPolarHBondContact O-CG 3.5Å; L385-L389 PolarHBondContact O-N 2.97Å; L389-S392 WeakPolarHBondContact O-CB 3.34Å; L389-S392 PolarHBondContact O-N 3.31Å; L389-G393 PolarHBondContact O-N 2.89Å; L389-L397 HydrophobicContact CD2-CD1 3.68Å; L389-M450 HydrophobicContact CD1-CG 3.91Å; L389-M450 HydrophobicContact CD1-SD 4.25Å; L389-L451 HydrophobicContact CD1-CD2 4.15Å; L389-L451 HydrophobicContact CD2-CD2 4.24Å; L389-Y454 HydrophobicContact CB-CD2 3.84Å; L389-Y454 HydrophobicContact CB-CE2 4.3Å; L389-Y454 HydrophobicContact CB-CG 4.4Å; L389-Y454 HydrophobicContact CD1-CG 4.34Å; L389-Y454 HydrophobicContact CD2-CD1 4.24Å; L389-Y454 HydrophobicContact CD2-CD2 4.12Å; L389-Y454 HydrophobicContact CD2-CE1 4.5Å; L389-Y454 HydrophobicContact CD2-CE2 4.38Å; L389-Y454 HydrophobicContact CD2-CG 4.05Å; L389-Y454 HydrophobicContact CG-CD2 4.39Å; L389-Y454 HydrophobicContact CG-CG 4.5Å |
| 390 | D | 93.3 | Very high | 92.8 | Very high | 99 Ų | 99 | 53.4 Ų | 53.4 | 53% | 0.529 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 174.3 | -175.2 | 75.5 | 0 | 0 | 0 | 111.8 | I386 S392 G393 M439 | I386-D390 WeakPolarHBondContact O-CB 3.23Å; I386-D390 PolarHBondContact O-N 3.4Å; I386-D390 VanDerWaalsContact O-N 3.16Å; D390-S392 VanDerWaalsContact C-N 3.29Å; D390-S392 PolarHBondContact O-N 3.3Å; D390-G393 PolarHBondContact O-N 3.28Å; D390-M439 HydrophobicContact CB-CE 3.82Å; D390-M439 HydrophobicContact CB-SD 4.22Å; D390-M439 VanDerWaalsContact CG-CE 3.46Å; D390-M439 VanDerWaalsContact OD2-CE 3.29Å; D390-M439 WeakPolarHBondContact OD2-CE 3.48Å |
| 391 | Q | 93.1 | Very high | 92.9 | Very high | 110 Ų | 110 | 47.8 Ų | 47.8 | 51% | 0.514 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.1 | -25.1 | 177.6 | -72 | 169.7 | 22.7 | 0 | 0 | 113.7 | E387 F388 G393 | E387-Q391 VanDerWaalsContact O-CB 3.31Å; E387-Q391 WeakPolarHBondContact O-CB 3.32Å; E387-Q391 WeakPolarHBondContact O-CG 3.47Å; E387-Q391 PolarHBondContact O-N 2.97Å; F388-Q391 PolarHBondContact O-N 3.28Å; Q391-G393 VanDerWaalsContact C-N 3.26Å; Q391-G393 PolarHBondContact O-N 3.32Å |
| 392 | S | 90.4 | Very high | 93.2 | Very high | 18 Ų | 18 | 42.2 Ų | 42.2 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.1 | -29.8 | 177.2 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | F388 L389 D390 D394 H395 L397 | F388-S392 WeakPolarHBondContact O-CB 3.47Å; F388-S392 PolarHBondContact O-N 3.3Å; F388-S392 PolarHBondContact O-OG 2.84Å; L389-S392 WeakPolarHBondContact O-CB 3.34Å; L389-S392 PolarHBondContact O-N 3.31Å; D390-S392 VanDerWaalsContact C-N 3.29Å; D390-S392 PolarHBondContact O-N 3.3Å; S392-D394 PolarHBondContact O-N 3.14Å; S392-H395 VanDerWaalsContact O-CB 3.32Å; S392-H395 WeakPolarHBondContact O-CB 3.37Å; S392-H395 PolarHBondContact O-N 3.07Å; S392-H395 VanDerWaalsContact O-N 3.09Å; S392-H395 PolarHBondContact O-ND1 3.33Å; S392-L397 WeakPolarHBondContact OG-CD2 3.47Å |
| 393 | G | 81.8 | Confident | 93.4 | Very high | 32 Ų | 32 | 39.8 Ų | 39.8 | 33% | 0.33 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | -132.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L389 D390 Q391 H395 Y454 | L389-G393 PolarHBondContact O-N 2.89Å; D390-G393 PolarHBondContact O-N 3.28Å; Q391-G393 VanDerWaalsContact C-N 3.26Å; Q391-G393 PolarHBondContact O-N 3.32Å; G393-H395 VanDerWaalsContact C-N 3.29Å; G393-H395 PolarHBondContact O-N 3.38Å; G393-Y454 PolarHBondContact O-OH 3.14Å; G393-Y454 VanDerWaalsContact O-OH 3.05Å |
| 394 | D | 78.4 | Confident | 93.2 | Very high | 147 Ų | 147 | 41 Ų | 41 | 79% | 0.786 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | 7.4 | 179.8 | -60.1 | -30 | 0 | 0 | 0 | 113.8 | S392 | S392-D394 PolarHBondContact O-N 3.14Š|
| 395 | H | 84.4 | Confident | 92.9 | Very high | 143 Ų | 143 | 41.1 Ų | 41.1 | 66% | 0.662 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -74.1 | 141.4 | 178.2 | -58.8 | 90.9 | 0 | 0 | 0 | 110.9 | S392 G393 L397 | S392-H395 VanDerWaalsContact O-CB 3.32Å; S392-H395 WeakPolarHBondContact O-CB 3.37Å; S392-H395 PolarHBondContact O-N 3.07Å; S392-H395 VanDerWaalsContact O-N 3.09Å; S392-H395 PolarHBondContact O-ND1 3.33Å; G393-H395 VanDerWaalsContact C-N 3.29Å; G393-H395 PolarHBondContact O-N 3.38Å; H395-L397 PolarHBondContact O-N 3.18Å |
| 396 | A | 88.7 | Confident | 92.6 | Very high | 86 Ų | 86 | 47.7 Ų | 47.7 | 71% | 0.711 | 27% | 0.271 | S | S | * | . | trans | -63.7 | 124 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L398 | A396-L398 VanDerWaalsContact C-N 3.28Š| ||
| 397 | L | 94.7 | Very high | 92.4 | Very high | 25 Ų | 25 | 47.6 Ų | 47.6 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -73.5 | -20.8 | 175 | -61.1 | -174.9 | 0 | 0 | 0 | 113.1 | A374 F388 L389 S392 H395 Y454 | A374-L397 WeakPolarHBondContact CB-O 3.5Å; F388-L397 HydrophobicContact CE1-CD2 4.14Å; F388-L397 HydrophobicContact CZ-CD2 4.42Å; L389-L397 HydrophobicContact CD2-CD1 3.68Å; S392-L397 WeakPolarHBondContact OG-CD2 3.47Å; H395-L397 PolarHBondContact O-N 3.18Å; L397-Y454 HydrophobicContact CD1-CD1 3.96Å; L397-Y454 HydrophobicContact CD1-CE1 3.36Å; L397-Y454 HydrophobicContact CG-CE1 3.89Å |
| 398 | L | 96.6 | Very high | 92.2 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | trans | -120.7 | 138.9 | -167.2 | -62.7 | 172.7 | 0 | 0 | 0 | 111.6 | A374 A396 L513 A515 | A374-L398 HydrophobicContact CB-CD2 3.99Å; A396-L398 VanDerWaalsContact C-N 3.28Å; L398-L513 HydrophobicContact CD2-CB 3.91Å; L398-L513 HydrophobicContact CD2-CD2 3.67Å; L398-L513 HydrophobicContact CD2-CG 3.84Å; L398-L513 HydrophobicContact CG-CD2 4.21Å; L398-A515 HydrophobicContact CD1-CB 3.43Å; L398-A515 VanDerWaalsContact CD1-CB 3.43Å | ||
| 399 | T | 96.4 | Very high | 91.9 | Very high | 37 Ų | 37 | 48.4 Ų | 48.4 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 128.1 | 165.6 | -61.2 | 0 | 0 | 0 | 0 | 109.5 | L317 L373 | L317-T399 HydrophobicContact CD1-CG2 3.91Å; L317-T399 HydrophobicContact CG-CG2 4.24Å; L373-T399 PolarHBondContact N-O 3.24Å; L373-T399 PolarHBondContact O-N 3.18Å |
| 400 | Q | 97.1 | Very high | 91.7 | Very high | 30 Ų | 30 | 50.6 Ų | 50.6 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 128.7 | 179.7 | -61.5 | -62.1 | -44.1 | 0 | 0 | 111.3 | R315 A371 | R315-Q400 WeakPolarHBondContact CD-O 2.99Å; R315-Q400 PolarHBondContact NE-O 2.63Å; R315-Q400 PolarHBondContact NH1-O 3.36Å; A371-Q400 CarbonylContact O-C 3.5Å; A371-Q400 VanDerWaalsContact O-CA 3.29Å; A371-Q400 WeakPolarHBondContact O-CA 3.29Å; A371-Q400 PolarHBondContact O-OE1 2.78Å |
| 401 | L | 97.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | trans | -97.6 | -9.1 | 174.6 | -62.9 | -177.2 | 0 | 0 | 0 | 113.2 | L300 S301 R315 L334 F337 A371 L373 | L300-L401 HydrophobicContact CD2-CB 4.15Å; S301-L401 PolarHBondContact N-O 3.18Å; R315-L401 VanDerWaalsContact NH2-C 3.27Å; R315-L401 PolarHBondContact NH2-O 2.96Å; L334-L401 HydrophobicContact CD2-CD1 4.16Å; F337-L401 HydrophobicContact CB-CD1 3.73Å; F337-L401 HydrophobicContact CD2-CD1 4.33Å; F337-L401 HydrophobicContact CG-CD1 4.01Å; A371-L401 HydrophobicContact CB-CB 3.91Å; A371-L401 PolarHBondContact O-N 3.4Å; L373-L401 HydrophobicContact CB-CD1 3.68Å; L373-L401 HydrophobicContact CB-CD2 4.48Å; L373-L401 HydrophobicContact CB-CG 3.93Å; L373-L401 HydrophobicContact CD2-CD1 3.78Å; L373-L401 HydrophobicContact CG-CD1 4.3Å | ||
| 402 | T | 97.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -83.7 | 124 | 171.4 | -56.5 | 0 | 0 | 0 | 0 | 109.8 | P299 R315 M368 A370 A371 G404 C405 | P299-T402 HydrophobicContact CB-CG2 4.08Å; P299-T402 HydrophobicContact CG-CG2 4.24Å; P299-T402 VanDerWaalsContact O-CA 3.3Å; P299-T402 WeakPolarHBondContact O-CA 3.49Å; P299-T402 VanDerWaalsContact O-CB 3.31Å; P299-T402 WeakPolarHBondContact O-CB 3.36Å; P299-T402 WeakPolarHBondContact O-CG2 3.47Å; P299-T402 PolarHBondContact O-OG1 3.18Å; R315-T402 PolarHBondContact NH1-O 3.33Å; R315-T402 PolarHBondContact NH2-O 3.06Å; M368-T402 HydrophobicContact CE-CG2 4.08Å; A370-T402 VanDerWaalsContact CA-OG1 3.3Å; A370-T402 WeakPolarHBondContact CA-OG1 3.24Å; A370-T402 HydrophobicContact CB-CG2 4.48Å; A371-T402 PolarHBondContact N-OG1 2.83Å; T402-G404 PolarHBondContact O-N 3.34Å; T402-C405 HydrophobicContact CG2-CB 3.84Å; T402-C405 WeakPolarHBondContact CG2-SG 3.49Å; T402-C405 PolarHBondContact O-N 2.91Å |
| 403 | P | 94 | Very high | 92 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 132.7 | -172.1 | 26.2 | -34 | 0 | 0 | 0 | 112.3 | I306 C405 H525 | I306-P403 HydrophobicContact CB-CB 4.4Å; I306-P403 HydrophobicContact CD1-CG 3.98Å; I306-P403 HydrophobicContact CG1-CB 4.17Å; I306-P403 HydrophobicContact CG1-CG 4.15Å; I306-P403 HydrophobicContact CG2-CB 3.66Å; I306-P403 HydrophobicContact CG2-CG 3.76Å; P403-C405 PolarHBondContact O-N 3.11Å; P403-H525 PolarHBondContact O-CE1 3.24Å; P403-H525 PolarHBondContact O-ND1 3.31Å; P403-H525 VanDerWaalsContact O-ND1 3.12Å |
| 404 | G | 90.7 | Very high | 92.7 | Very high | 39 Ų | 39 | 43.1 Ų | 43.1 | 40% | 0.402 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 10.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | E304 T402 | E304-G404 PolarHBondContact O-N 3.32Å; T402-G404 PolarHBondContact O-N 3.34Å |
| 405 | C | 92.8 | Very high | 93.6 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 8% | 0.081 | 21% | 0.209 | C | C | . | . | trans | -106 | 134.9 | -176.5 | -69.4 | 0 | 0 | 0 | 0 | 112.2 | A370 T402 P403 L522 H525 | A370-C405 HydrophobicContact CB-CB 4.25Å; T402-C405 HydrophobicContact CG2-CB 3.84Å; T402-C405 WeakPolarHBondContact CG2-SG 3.49Å; T402-C405 PolarHBondContact O-N 2.91Å; P403-C405 PolarHBondContact O-N 3.11Å; C405-L522 HydrophobicContact CB-CD2 4.1Å; C405-H525 VanDerWaalsContact SG-CB 3.5Å; C405-H525 VanDerWaalsContact SG-CG 3.6Å | ||
| 406 | E | 91.5 | Very high | 94.3 | Very high | 139 Ų | 139 | 29.4 Ų | 29.4 | 65% | 0.65 | 18% | 0.177 | S | C | * | . | trans | -136 | 107.9 | 167.5 | -172.2 | -177.4 | 163.2 | 0 | 0 | 109 | G408 K521 | E406-G408 PolarHBondContact O-N 2.9Å; E406-G408 VanDerWaalsContact O-N 3.17Å; E406-K521 WeakPolarHBondContact O-CB 3.3Å; E406-K521 VanDerWaalsContact O-CD 3.26Å; E406-K521 WeakPolarHBondContact O-CD 3.09Å | ||
| 407 | P | 92 | Very high | 94.7 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.013 | 15% | 0.145 | C | C | . | . | trans | -69.1 | -13.9 | -176.7 | 23.9 | -29.3 | 0 | 0 | 0 | 113.3 | Q517 S519 | P407-Q517 HydrophobicContact CB-CB 4.11Å; P407-Q517 HydrophobicContact CG-CB 3.95Å; P407-Q517 HydrophobicContact CG-CG 4.45Å; P407-S519 VanDerWaalsContact CA-OG 3.31Å; P407-S519 WeakPolarHBondContact CA-OG 3.47Å; P407-S519 WeakPolarHBondContact O-CB 3.22Å; P407-S519 PolarHBondContact O-OG 3.24Å; P407-S519 VanDerWaalsContact O-OG 3.1Å | ||
| 408 | G | 91.5 | Very high | 94.9 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 6% | 0.062 | 14% | 0.139 | C | C | . | . | trans | 70.6 | -162.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E406 V412 Y459 | E406-G408 PolarHBondContact O-N 2.9Å; E406-G408 VanDerWaalsContact O-N 3.17Å; G408-V412 WeakPolarHBondContact O-CG2 3.39Å; G408-Y459 VanDerWaalsContact O-CE1 3.32Å; G408-Y459 WeakPolarHBondContact O-CE1 3.19Å | ||
| 409 | T | 91.1 | Very high | 94.8 | Very high | 68 Ų | 68 | 23.7 Ų | 23.7 | 42% | 0.417 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -125.8 | 19.3 | -174 | 56.8 | 0 | 0 | 0 | 0 | 112.4 | Y459 H460 | T409-Y459 HydrophobicContact CG2-CD2 4.41Å; T409-Y459 HydrophobicContact CG2-CE1 4.36Å; T409-Y459 HydrophobicContact CG2-CE2 4.02Å; T409-Y459 CarbonylContact O-C 3.54Å; T409-Y459 VanDerWaalsContact O-CA 3.23Å; T409-Y459 WeakPolarHBondContact O-CA 3.34Å; T409-H460 PolarHBondContact O-N 2.62Å |
| 410 | S | 91.2 | Very high | 94.8 | Very high | 54 Ų | 54 | 22.2 Ų | 22.2 | 38% | 0.378 | 13% | 0.127 | S | C | . | . | B | Isolated β-bridge | trans | -139.6 | 135.4 | -179.9 | -60.6 | 0 | 0 | 0 | 0 | 110.1 | V412 H460 | S410-V412 VanDerWaalsContact C-N 3.3Å; S410-V412 PolarHBondContact O-N 3.17Å; S410-H460 CarbonylContact C-O 3.58Å; S410-H460 VanDerWaalsContact CA-O 3.27Å; S410-H460 WeakPolarHBondContact CA-O 3.37Å |
| 411 | Y | 92.3 | Very high | 94.7 | Very high | 91 Ų | 91 | 20.8 Ų | 20.8 | 36% | 0.357 | 12% | 0.121 | S | C | . | . | S | Bend | trans | 52.5 | 50.1 | -178.3 | -52.6 | -73.9 | 0 | 0 | 0 | 111.8 | H460 G461 S462 L574 | Y411-H460 AromaticContact CZ-CE1 3.95Å; Y411-H460 AromaticContact CZ-ND1 3.94Å; Y411-H460 PolarHBondContact N-O 3.18Å; Y411-G461 WeakPolarHBondContact CA-O 3.5Å; Y411-S462 PolarHBondContact N-OG 2.79Å; Y411-S462 VanDerWaalsContact N-OG 3.15Å; Y411-L574 WeakPolarHBondContact O-CD1 3.48Å |
| 412 | V | 94.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -103.9 | 134.7 | 175.5 | -177 | 0 | 0 | 0 | 0 | 109 | G408 S410 Q414 Y459 S462 V463 Q517 N518 | G408-V412 WeakPolarHBondContact O-CG2 3.39Å; S410-V412 VanDerWaalsContact C-N 3.3Å; S410-V412 PolarHBondContact O-N 3.17Å; V412-Q414 HydrophobicContact CG1-CB 4.14Å; V412-Q414 HydrophobicContact CG1-CG 4.31Å; V412-Y459 HydrophobicContact CB-CD1 3.99Å; V412-Y459 HydrophobicContact CB-CE1 4.36Å; V412-Y459 HydrophobicContact CG1-CD1 4.5Å; V412-Y459 HydrophobicContact CG1-CE1 4.46Å; V412-Y459 HydrophobicContact CG2-CD1 3.92Å; V412-Y459 HydrophobicContact CG2-CE1 4.12Å; V412-S462 PolarHBondContact N-OG 2.84Å; V412-S462 CarbonylContact O-C 3.47Å; V412-S462 WeakPolarHBondContact O-CA 3.49Å; V412-S462 WeakPolarHBondContact O-CB 3.29Å; V412-V463 PolarHBondContact O-N 2.89Å; V412-Q517 HydrophobicContact CG1-CB 4.27Å; V412-N518 CarbonylContact C-O 3.53Å; V412-N518 WeakPolarHBondContact CA-O 3.47Å | ||
| 413 | V | 96.2 | Very high | 94.2 | Very high | 10 Ų | 10 | 25.9 Ų | 25.9 | 6% | 0.061 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.5 | 164.3 | -175.1 | 0 | 0 | 0 | 0 | 108 | C360 P363 V463 Q517 N518 L574 | C360-V413 WeakPolarHBondContact O-CG1 3.41Å; P363-V413 HydrophobicContact CG-CB 4.36Å; P363-V413 HydrophobicContact CG-CG2 3.97Å; V413-V463 WeakPolarHBondContact CA-O 3.26Å; V413-V463 HydrophobicContact CG1-CB 4.48Å; V413-V463 HydrophobicContact CG2-CB 4.44Å; V413-Q517 CarbonylContact O-C 3.57Å; V413-N518 PolarHBondContact N-O 3.06Å; V413-N518 PolarHBondContact O-N 2.84Å; V413-L574 HydrophobicContact CG2-CD1 3.72Å; V413-L574 HydrophobicContact CG2-CD2 3.25Å; V413-L574 HydrophobicContact CG2-CG 4.13Å |
| 414 | Q | 97.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 148.5 | -174.5 | 59.4 | 179.1 | -11.3 | 0 | 0 | 113.6 | V412 V416 V463 T464 N465 V516 Q517 | V412-Q414 HydrophobicContact CG1-CB 4.14Å; V412-Q414 HydrophobicContact CG1-CG 4.31Å; Q414-V416 HydrophobicContact CB-CG2 4.44Å; Q414-V416 HydrophobicContact CG-CG2 4.01Å; Q414-V463 PolarHBondContact N-O 3.2Å; Q414-T464 HydrophobicContact CG-CG2 3.99Å; Q414-T464 WeakPolarHBondContact CG-OG1 3.17Å; Q414-T464 PolarHBondContact NE2-OG1 3.06Å; Q414-T464 WeakPolarHBondContact O-CA 2.99Å; Q414-N465 PolarHBondContact O-N 2.84Å; Q414-V516 CarbonylContact C-O 3.54Å; Q414-V516 WeakPolarHBondContact CA-O 3.38Å; Q414-V516 WeakPolarHBondContact CB-O 3.19Å; Q414-Q517 HydrophobicContact CB-CB 4.26Å; Q414-Q517 HydrophobicContact CB-CG 3.86Å |
| 415 | S | 97.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.8 | 163.7 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | F357 V361 N465 A515 V516 | F357-S415 WeakPolarHBondContact CE2-OG 3.31Å; V361-S415 VanDerWaalsContact CG1-N 3.3Å; S415-N465 CarbonylContact C-O 3.56Å; S415-N465 WeakPolarHBondContact CA-O 3.18Å; S415-A515 CarbonylContact O-C 3.44Å; S415-A515 WeakPolarHBondContact O-CA 3.27Å; S415-V516 PolarHBondContact N-O 2.91Å; S415-V516 PolarHBondContact O-N 3.09Å |
| 416 | V | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.2 | -177.7 | -178.5 | 0 | 0 | 0 | 0 | 109 | Q414 Y455 T464 N465 A466 A467 L513 A514 A515 | Q414-V416 HydrophobicContact CB-CG2 4.44Å; Q414-V416 HydrophobicContact CG-CG2 4.01Å; V416-Y455 HydrophobicContact CB-CE2 4.46Å; V416-Y455 HydrophobicContact CG1-CE2 4.01Å; V416-Y455 HydrophobicContact CG2-CD2 4.41Å; V416-Y455 HydrophobicContact CG2-CE2 4.03Å; V416-T464 HydrophobicContact CB-CG2 4.42Å; V416-T464 HydrophobicContact CG2-CG2 3.9Å; V416-N465 PolarHBondContact N-O 2.81Å; V416-A466 CarbonylContact O-C 3.59Å; V416-A466 VanDerWaalsContact O-CA 3.24Å; V416-A466 WeakPolarHBondContact O-CA 3.49Å; V416-A467 PolarHBondContact O-N 2.97Å; V416-L513 HydrophobicContact CG1-CD1 3.44Å; V416-L513 VanDerWaalsContact CG1-CD1 3.44Å; V416-L513 HydrophobicContact CG1-CD2 3.98Å; V416-L513 HydrophobicContact CG1-CG 3.79Å; V416-A514 WeakPolarHBondContact CA-O 3.45Å; V416-A515 HydrophobicContact CG2-CB 3.94Å |
| 417 | T | 97.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 3% | 0.025 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 116.2 | 179.4 | -53.8 | 0 | 0 | 0 | 0 | 109.9 | T340 L343 A467 A514 | T340-T417 HydrophobicContact CG2-CG2 4.23Å; T340-T417 VanDerWaalsContact O-CB 3.31Å; T340-T417 WeakPolarHBondContact O-CB 3.12Å; T340-T417 WeakPolarHBondContact O-CG2 3.14Å; L343-T417 HydrophobicContact CB-CG2 4.33Å; T417-A467 WeakPolarHBondContact CA-O 3.37Å; T417-A467 HydrophobicContact CG2-CB 4.47Å; T417-A514 PolarHBondContact N-O 3.45Å; T417-A514 PolarHBondContact O-N 3.39Å |
| 418 | A | 97.7 | Very high | 95 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 145.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I421 I447 L451 A467 A468 T469 L513 | A418-I421 HydrophobicContact CB-CD1 4.5Å; A418-I447 HydrophobicContact CB-CG2 4.19Å; A418-L451 HydrophobicContact CB-CD1 3.51Å; A418-A467 PolarHBondContact N-O 3.42Å; A418-A468 HydrophobicContact CB-CB 4.26Å; A418-A468 CarbonylContact O-C 3.57Å; A418-A468 VanDerWaalsContact O-CA 3.25Å; A418-A468 WeakPolarHBondContact O-CA 3.38Å; A418-T469 PolarHBondContact O-N 2.73Å; A418-L513 HydrophobicContact CB-CD1 3.57Å |
| 419 | R | 96.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 154.6 | 175 | 77.8 | 179.8 | -68.4 | 177.2 | -4.5 | 112.4 | D339 T340 I421 T469 L471 P472 P511 M512 | D339-R419 IonicContact OD2-CZ 3.19Å; D339-R419 IonicContact OD2-NH1 2.81Å; D339-R419 PolarHBondContact OD2-NH1 3.23Å; D339-R419 IonicContact OD2-NH2 2.73Å; T340-R419 HydrophobicContact CG2-CB 4.48Å; T340-R419 HydrophobicContact CG2-CG 4.04Å; T340-R419 WeakPolarHBondContact OG1-CD 3.13Å; T340-R419 PolarHBondContact OG1-NH1 3.17Å; R419-I421 VanDerWaalsContact C-N 3.33Å; R419-I421 PolarHBondContact O-N 3.05Å; R419-T469 CarbonylContact C-O 3.47Å; R419-T469 VanDerWaalsContact CA-O 3.24Å; R419-T469 WeakPolarHBondContact CA-O 3.31Å; R419-T469 HydrophobicContact CB-CG2 3.49Å; R419-T469 VanDerWaalsContact CB-CG2 3.49Å; R419-L471 VanDerWaalsContact CB-O 3.26Å; R419-L471 WeakPolarHBondContact CB-O 3.23Å; R419-L471 PolarHBondContact NE-O 3.41Å; R419-P472 PolarHBondContact NE-O 3.42Å; R419-P472 PolarHBondContact NH2-O 3.5Å; R419-P511 VanDerWaalsContact O-CA 3.25Å; R419-P511 WeakPolarHBondContact O-CA 3.29Å; R419-M512 HydrophobicContact CG-CG 3.34Å; R419-M512 HydrophobicContact CG-SD 4.38Å; R419-M512 PolarHBondContact N-O 3.29Å; R419-M512 PolarHBondContact O-N 3.15Å |
| 420 | G | 95.8 | Very high | 95.3 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 77.8 | 13.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | P422 T469 P470 L471 | G420-P422 WeakPolarHBondContact O-CD 3.44Å; G420-T469 PolarHBondContact N-O 3.16Å; G420-P470 WeakPolarHBondContact CA-O 3.39Å; G420-L471 PolarHBondContact N-O 3.29Å; G420-L471 VanDerWaalsContact N-O 3.11Å |
| 421 | I | 95.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | trans | -102.8 | 113.2 | 175.8 | -53.4 | 172.9 | 0 | 0 | 0 | 107.1 | F377 L379 L385 A418 R419 R425 I447 P511 | F377-I421 HydrophobicContact CD1-CD1 3.58Å; F377-I421 HydrophobicContact CD1-CG1 4.39Å; F377-I421 HydrophobicContact CE1-CD1 3.6Å; L379-I421 HydrophobicContact CD1-CD1 4.16Å; L379-I421 HydrophobicContact CD1-CG1 4.09Å; L379-I421 HydrophobicContact CD1-CG2 4.24Å; L385-I421 HydrophobicContact CD1-CD1 4.34Å; A418-I421 HydrophobicContact CB-CD1 4.5Å; R419-I421 VanDerWaalsContact C-N 3.33Å; R419-I421 PolarHBondContact O-N 3.05Å; I421-R425 HydrophobicContact CG2-CB 4.28Å; I421-I447 HydrophobicContact CB-CD1 3.85Å; I421-I447 HydrophobicContact CD1-CG2 4.38Å; I421-I447 HydrophobicContact CG2-CD1 3.86Å; I421-I447 HydrophobicContact CG2-CG1 4.23Å; I421-I447 WeakPolarHBondContact O-CD1 3.43Å; I421-P511 HydrophobicContact CG1-CB 4.14Å | ||
| 422 | P | 92.7 | Very high | 95.6 | Very high | 31 Ų | 31 | 47.3 Ų | 47.3 | 20% | 0.201 | 24% | 0.235 | C | C | . | . | trans | -67.5 | 152 | 176.7 | -21.9 | 34.3 | 0 | 0 | 0 | 112.3 | G420 E424 R425 Y493 | G420-P422 WeakPolarHBondContact O-CD 3.44Å; P422-E424 HydrophobicContact CB-CG 4.13Å; P422-E424 WeakPolarHBondContact CB-OE1 3.44Å; P422-E424 WeakPolarHBondContact CB-OE2 3.42Å; P422-E424 PolarHBondContact O-N 2.84Å; P422-R425 HydrophobicContact CB-CG 4.42Å; P422-R425 HydrophobicContact CG-CG 4.42Å; P422-R425 WeakPolarHBondContact O-CB 3.4Å; P422-R425 PolarHBondContact O-N 3.11Å; P422-Y493 VanDerWaalsContact CD-OH 3.31Å; P422-Y493 WeakPolarHBondContact CD-OH 3.36Å | ||
| 423 | A | 92 | Very high | 95.5 | Very high | 76 Ų | 76 | 47.3 Ų | 47.3 | 63% | 0.628 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -63.1 | -32 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R425 L426 | A423-R425 PolarHBondContact O-N 2.83Å; A423-L426 WeakPolarHBondContact O-CB 3.31Å; A423-L426 PolarHBondContact O-N 3.33Å; A423-L426 VanDerWaalsContact O-N 3.1Å |
| 424 | E | 93.1 | Very high | 95.4 | Very high | 140 Ų | 140 | 49.3 Ų | 49.3 | 65% | 0.654 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -65.9 | -18.9 | 175 | 66.9 | -86 | -162.8 | 0 | 0 | 113.5 | P422 L426 | P422-E424 HydrophobicContact CB-CG 4.13Å; P422-E424 WeakPolarHBondContact CB-OE1 3.44Å; P422-E424 WeakPolarHBondContact CB-OE2 3.42Å; P422-E424 PolarHBondContact O-N 2.84Å; E424-L426 VanDerWaalsContact C-N 3.34Å |
| 425 | R | 94.6 | Very high | 95.2 | Very high | 36 Ų | 36 | 54.5 Ų | 54.5 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -92.2 | 7.9 | 174.8 | -62.6 | -65.5 | -68 | -79.5 | -6.6 | 112.6 | R380 Q383 D384 L385 I421 P422 A423 | R380-R425 PolarHBondContact O-NH2 3.49Å; Q383-R425 VanDerWaalsContact N-NH2 3.12Å; Q383-R425 VanDerWaalsContact O-CZ 3.25Å; Q383-R425 PolarHBondContact O-NE 2.81Å; Q383-R425 PolarHBondContact O-NH2 3.26Å; D384-R425 CarbonylContact C-O 3.53Å; D384-R425 WeakPolarHBondContact CA-O 3.11Å; L385-R425 WeakPolarHBondContact CB-O 3.47Å; L385-R425 PolarHBondContact N-O 2.78Å; I421-R425 HydrophobicContact CG2-CB 4.28Å; P422-R425 HydrophobicContact CB-CG 4.42Å; P422-R425 HydrophobicContact CG-CG 4.42Å; P422-R425 WeakPolarHBondContact O-CB 3.4Å; P422-R425 PolarHBondContact O-N 3.11Å; A423-R425 PolarHBondContact O-N 2.83Å |
| 426 | L | 97.3 | Very high | 95.1 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -67.3 | -54.9 | 175.2 | 179.7 | 63.4 | 0 | 0 | 0 | 111.3 | L385 I386 A423 E424 I447 M450 | L385-L426 HydrophobicContact CD2-CD1 4.1Å; I386-L426 PolarHBondContact N-O 2.79Å; I386-L426 VanDerWaalsContact N-O 3.15Å; A423-L426 WeakPolarHBondContact O-CB 3.31Å; A423-L426 PolarHBondContact O-N 3.33Å; A423-L426 VanDerWaalsContact O-N 3.1Å; E424-L426 VanDerWaalsContact C-N 3.34Å; L426-I447 HydrophobicContact CD1-CG1 4.08Å; L426-M450 HydrophobicContact CD1-CB 4Å; L426-M450 HydrophobicContact CD1-CE 3.44Å; L426-M450 VanDerWaalsContact CD1-CE 3.44Å; L426-M450 HydrophobicContact CD1-CG 4.48Å; L426-M450 HydrophobicContact CD1-SD 3.66Å; L426-M450 HydrophobicContact CG-CE 3.83Å |
| 427 | K | 96.8 | Very high | 95 | Very high | 41 Ų | 41 | 58.2 Ų | 58.2 | 18% | 0.178 | 31% | 0.305 | C | S | . | . | trans | -164.9 | 156.6 | -175 | 63.5 | -170.2 | -180 | -169.8 | 0 | 109.7 | I386 Y442 C444 D445 | I386-K427 HydrophobicContact CB-CB 4.44Å; I386-K427 HydrophobicContact CG2-CB 3.96Å; K427-Y442 HydrophobicContact CB-CD2 4.49Å; K427-Y442 HydrophobicContact CB-CE2 4.32Å; K427-Y442 HydrophobicContact CD-CD2 4.14Å; K427-Y442 HydrophobicContact CD-CE2 4.1Å; K427-Y442 WeakPolarHBondContact CD-O 3.49Å; K427-Y442 HydrophobicContact CG-CE2 4.35Å; K427-Y442 PolarHBondContact NZ-O 3.31Å; K427-C444 WeakPolarHBondContact CE-O 3.46Å; K427-C444 PolarHBondContact NZ-O 2.65Å; K427-D445 IonicContact NZ-OD1 3.13Å; K427-D445 PolarHBondContact NZ-OD1 3.46Å | ||
| 428 | R | 96.3 | Very high | 94.8 | Very high | 87 Ų | 87 | 68.2 Ų | 68.2 | 33% | 0.328 | 34% | 0.342 | S | S | . | . | trans | -71 | 148.6 | 173.1 | -82.9 | 164.4 | -155.9 | 147.7 | 14.1 | 112 | D384 E387 L432 A433 Y442 | D384-R428 VanDerWaalsContact OD2-CG 3.32Å; D384-R428 WeakPolarHBondContact OD2-CG 3.27Å; D384-R428 IonicContact OD2-CZ 3.53Å; D384-R428 IonicContact OD2-NE 3.85Å; D384-R428 PolarHBondContact OD2-NE 2.86Å; D384-R428 IonicContact OD2-NH2 3.36Å; E387-R428 IonicContact OE1-CZ 2.95Å; E387-R428 IonicContact OE1-NH1 2.8Å; E387-R428 PolarHBondContact OE1-NH1 3.46Å; E387-R428 IonicContact OE1-NH2 3.43Å; E387-R428 PolarHBondContact OE1-NH2 2.74Å; E387-R428 IonicContact OE2-CZ 3.09Å; E387-R428 IonicContact OE2-NH2 2.71Å; E387-R428 PolarHBondContact OE2-NH2 3.47Å; E387-R428 VanDerWaalsContact OE2-NH2 3.13Å; R428-L432 HydrophobicContact CB-CB 4.44Å; R428-L432 WeakPolarHBondContact CD-O 3.2Å; R428-A433 HydrophobicContact CB-CB 4.29Å; R428-Y442 WeakPolarHBondContact O-CE2 3.45Å; R428-Y442 PolarHBondContact O-OH 3.45Å | ||
| 429 | P | 95 | Very high | 94.6 | Very high | 73 Ų | 73 | 70.1 Ų | 70.1 | 47% | 0.474 | 35% | 0.351 | S | S | . | . | trans | -63.2 | 155.5 | 171.5 | 31.5 | -37.2 | 0 | 0 | 0 | 110.4 | E431 L432 A433 | P429-E431 WeakPolarHBondContact CB-OE2 3.5Å; P429-E431 PolarHBondContact O-N 3.11Å; P429-L432 HydrophobicContact CG-CB 4.31Å; P429-L432 HydrophobicContact CG-CD1 4.19Å; P429-L432 HydrophobicContact CG-CG 4.4Å; P429-L432 CarbonylContact O-C 3.59Å; P429-L432 PolarHBondContact O-N 2.97Å; P429-A433 WeakPolarHBondContact O-CB 3.09Å; P429-A433 PolarHBondContact O-N 3.37Å | ||
| 430 | R | 93.5 | Very high | 94.4 | Very high | 191 Ų | 191 | 74 Ų | 74 | 72% | 0.721 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -31.6 | -167.5 | -176.1 | 173.5 | 177.3 | 164.2 | -0.3 | 113.6 | L432 L437 Y442 | R430-L432 VanDerWaalsContact C-N 3.3Å; R430-L432 PolarHBondContact O-N 3.38Å; R430-L437 HydrophobicContact CG-CD2 4.06Å; R430-Y442 VanDerWaalsContact CA-OH 3.25Å; R430-Y442 WeakPolarHBondContact CA-OH 3.25Å; R430-Y442 PolarHBondContact N-OH 3.12Å |
| 431 | E | 94.5 | Very high | 94.4 | Very high | 160 Ų | 160 | 74.9 Ų | 74.9 | 75% | 0.748 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -26.9 | -179.9 | -54.8 | 73.9 | -157.2 | 0 | 0 | 112.7 | P429 | P429-E431 WeakPolarHBondContact CB-OE2 3.5Å; P429-E431 PolarHBondContact O-N 3.11Å |
| 432 | L | 94.6 | Very high | 94.4 | Very high | 123 Ų | 123 | 76.6 Ų | 76.6 | 64% | 0.644 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | -2.3 | -177.1 | -59.3 | 177.9 | 0 | 0 | 0 | 113.1 | R428 P429 R430 G434 | R428-L432 HydrophobicContact CB-CB 4.44Å; R428-L432 WeakPolarHBondContact CD-O 3.2Å; P429-L432 HydrophobicContact CG-CB 4.31Å; P429-L432 HydrophobicContact CG-CD1 4.19Å; P429-L432 HydrophobicContact CG-CG 4.4Å; P429-L432 CarbonylContact O-C 3.59Å; P429-L432 PolarHBondContact O-N 2.97Å; R430-L432 VanDerWaalsContact C-N 3.3Å; R430-L432 PolarHBondContact O-N 3.38Å; L432-G434 VanDerWaalsContact C-N 3.33Å; L432-G434 PolarHBondContact O-N 3.27Å |
| 433 | A | 92.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 79.2 Ų | 79.2 | 1% | 0.008 | 42% | 0.416 | C | S | . | . | trans | -67.4 | -29.9 | -170 | 0 | 0 | 0 | 0 | 0 | 113.8 | R428 P429 D435 Q436 L437 Y442 | R428-A433 HydrophobicContact CB-CB 4.29Å; P429-A433 WeakPolarHBondContact O-CB 3.09Å; P429-A433 PolarHBondContact O-N 3.37Å; A433-D435 PolarHBondContact O-N 3.26Å; A433-D435 VanDerWaalsContact O-N 3.15Å; A433-Q436 HydrophobicContact CB-CB 4.29Å; A433-Q436 VanDerWaalsContact O-CB 3.23Å; A433-Q436 WeakPolarHBondContact O-CB 3.39Å; A433-Q436 WeakPolarHBondContact O-CG 3.42Å; A433-Q436 PolarHBondContact O-N 3.02Å; A433-L437 HydrophobicContact CB-CD1 4.25Å; A433-L437 HydrophobicContact CB-CD2 3.85Å; A433-L437 HydrophobicContact CB-CG 3.62Å; A433-Y442 HydrophobicContact CB-CE2 3.59Å; A433-Y442 WeakPolarHBondContact CB-OH 3.4Å | ||
| 434 | G | 94.9 | Very high | 94.8 | Very high | 52 Ų | 52 | 75.6 Ų | 75.6 | 54% | 0.536 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | 53.1 | -120.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L432 Q436 L437 | L432-G434 VanDerWaalsContact C-N 3.33Å; L432-G434 PolarHBondContact O-N 3.27Å; G434-Q436 VanDerWaalsContact C-N 3.26Å; G434-Q436 PolarHBondContact O-N 2.86Å; G434-L437 PolarHBondContact O-N 3.22Å |
| 435 | D | 93.5 | Very high | 94.8 | Very high | 109 Ų | 109 | 75.3 Ų | 75.3 | 58% | 0.583 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -67.2 | -22.2 | 179.4 | -70.7 | -38.4 | 0 | 0 | 0 | 113.8 | A433 L437 R438 | A433-D435 PolarHBondContact O-N 3.26Å; A433-D435 VanDerWaalsContact O-N 3.15Å; D435-L437 PolarHBondContact O-N 2.8Å; D435-L437 VanDerWaalsContact O-N 3.16Å; D435-R438 WeakPolarHBondContact O-CB 3.43Å; D435-R438 PolarHBondContact O-N 3.05Å; D435-R438 IonicContact OD1-CZ 3.26Å; D435-R438 IonicContact OD1-NH1 3.68Å |
| 436 | Q | 94.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.009 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -58.5 | -30.4 | 175.9 | -61.9 | -176.8 | 6.7 | 0 | 0 | 111.6 | D384 I386 E387 A433 G434 R438 M439 Y442 | D384-Q436 PolarHBondContact OD2-NE2 3.03Å; I386-Q436 HydrophobicContact CD1-CB 4.44Å; I386-Q436 HydrophobicContact CG2-CB 4.49Å; I386-Q436 VanDerWaalsContact CG2-CD 3.49Å; I386-Q436 HydrophobicContact CG2-CG 3.94Å; E387-Q436 VanDerWaalsContact CD-NE2 3.31Å; E387-Q436 HydrophobicContact CG-CG 4.15Å; E387-Q436 PolarHBondContact OE1-NE2 3.26Å; A433-Q436 HydrophobicContact CB-CB 4.29Å; A433-Q436 VanDerWaalsContact O-CB 3.23Å; A433-Q436 WeakPolarHBondContact O-CB 3.39Å; A433-Q436 WeakPolarHBondContact O-CG 3.42Å; A433-Q436 PolarHBondContact O-N 3.02Å; G434-Q436 VanDerWaalsContact C-N 3.26Å; G434-Q436 PolarHBondContact O-N 2.86Å; Q436-R438 PolarHBondContact O-N 3.07Å; Q436-R438 VanDerWaalsContact O-N 3.09Å; Q436-M439 WeakPolarHBondContact O-CB 3.34Å; Q436-M439 PolarHBondContact O-N 3.4Å; Q436-Y442 HydrophobicContact CB-CD2 3.92Å; Q436-Y442 HydrophobicContact CB-CE2 4.14Å; Q436-Y442 WeakPolarHBondContact O-CB 3.28Å; Q436-Y442 WeakPolarHBondContact O-CD2 3.36Å |
| 437 | L | 95 | Very high | 94.9 | Very high | 79 Ų | 79 | 76 Ų | 76 | 41% | 0.414 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -61.8 | -18.3 | 178.1 | -68.6 | 172.6 | 0 | 0 | 0 | 113.9 | R430 A433 G434 D435 Y442 | R430-L437 HydrophobicContact CG-CD2 4.06Å; A433-L437 HydrophobicContact CB-CD1 4.25Å; A433-L437 HydrophobicContact CB-CD2 3.85Å; A433-L437 HydrophobicContact CB-CG 3.62Å; G434-L437 PolarHBondContact O-N 3.22Å; D435-L437 PolarHBondContact O-N 2.8Å; D435-L437 VanDerWaalsContact O-N 3.16Å; L437-Y442 HydrophobicContact CD2-CD1 3.78Å; L437-Y442 HydrophobicContact CD2-CD2 4.46Å; L437-Y442 HydrophobicContact CD2-CE1 3.32Å; L437-Y442 HydrophobicContact CD2-CE2 4.08Å; L437-Y442 HydrophobicContact CD2-CG 4.34Å; L437-Y442 VanDerWaalsContact CD2-CZ 3.49Å |
| 438 | R | 94.4 | Very high | 94.8 | Very high | 213 Ų | 213 | 75.6 Ų | 75.6 | 80% | 0.804 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -89 | -13.1 | 179.5 | -59.5 | 179 | 179 | 172.1 | 3.2 | 112.6 | D435 Q436 | D435-R438 WeakPolarHBondContact O-CB 3.43Å; D435-R438 PolarHBondContact O-N 3.05Å; D435-R438 IonicContact OD1-CZ 3.26Å; D435-R438 IonicContact OD1-NH1 3.68Å; Q436-R438 PolarHBondContact O-N 3.07Å; Q436-R438 VanDerWaalsContact O-N 3.09Å |
| 439 | M | 94.2 | Very high | 94.9 | Very high | 41 Ų | 41 | 75.6 Ų | 75.6 | 20% | 0.202 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -82.1 | 133.8 | -178 | -61.4 | 174.3 | 170.8 | 0 | 0 | 110 | I386 D390 Q436 A441 Y442 | I386-M439 HydrophobicContact CD1-CB 4.01Å; I386-M439 HydrophobicContact CD1-SD 3.97Å; I386-M439 HydrophobicContact CG1-CB 4.47Å; I386-M439 HydrophobicContact CG1-SD 3.76Å; D390-M439 HydrophobicContact CB-CE 3.82Å; D390-M439 HydrophobicContact CB-SD 4.22Å; D390-M439 VanDerWaalsContact CG-CE 3.46Å; D390-M439 VanDerWaalsContact OD2-CE 3.29Å; D390-M439 WeakPolarHBondContact OD2-CE 3.48Å; Q436-M439 WeakPolarHBondContact O-CB 3.34Å; Q436-M439 PolarHBondContact O-N 3.4Å; M439-A441 PolarHBondContact O-N 3.39Å; M439-Y442 VanDerWaalsContact O-CB 3.26Å; M439-Y442 WeakPolarHBondContact O-CB 3.16Å; M439-Y442 PolarHBondContact O-N 2.87Å |
| 440 | A | 91.2 | Very high | 95 | Very high | 84 Ų | 84 | 72.2 Ų | 72.2 | 69% | 0.694 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -57.4 | -33.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y442 S443 | A440-Y442 PolarHBondContact O-N 3.39Å; A440-S443 PolarHBondContact O-OG 3.11Å |
| 441 | A | 94.8 | Very high | 95.1 | Very high | 22 Ų | 22 | 63.1 Ų | 63.1 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -67.9 | -9.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | I386 M439 S443 C444 M450 L453 | I386-A441 HydrophobicContact CD1-CB 4.21Å; I386-A441 HydrophobicContact CG1-CB 4.13Å; M439-A441 PolarHBondContact O-N 3.39Å; A441-S443 PolarHBondContact O-N 2.86Å; A441-C444 VanDerWaalsContact O-CB 3.27Å; A441-C444 WeakPolarHBondContact O-CB 3.31Å; A441-C444 PolarHBondContact O-N 2.83Å; A441-C444 PolarHBondContact O-SG 2.71Å; A441-M450 HydrophobicContact CB-CE 4.44Å; A441-M450 HydrophobicContact CB-CG 4.3Å; A441-L453 HydrophobicContact CB-CD2 3.89Å |
| 442 | Y | 96.9 | Very high | 95.2 | Very high | 38 Ų | 38 | 58 Ų | 58 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -62.7 | -23.8 | 179 | -165.5 | -96.4 | 0 | 0 | 0 | 113 | I386 K427 R428 R430 A433 Q436 L437 M439 A440 C444 | I386-Y442 HydrophobicContact CD1-CD2 4.17Å; K427-Y442 HydrophobicContact CB-CD2 4.49Å; K427-Y442 HydrophobicContact CB-CE2 4.32Å; K427-Y442 HydrophobicContact CD-CD2 4.14Å; K427-Y442 HydrophobicContact CD-CE2 4.1Å; K427-Y442 WeakPolarHBondContact CD-O 3.49Å; K427-Y442 HydrophobicContact CG-CE2 4.35Å; K427-Y442 PolarHBondContact NZ-O 3.31Å; R428-Y442 WeakPolarHBondContact O-CE2 3.45Å; R428-Y442 PolarHBondContact O-OH 3.45Å; R430-Y442 VanDerWaalsContact CA-OH 3.25Å; R430-Y442 WeakPolarHBondContact CA-OH 3.25Å; R430-Y442 PolarHBondContact N-OH 3.12Å; A433-Y442 HydrophobicContact CB-CE2 3.59Å; A433-Y442 WeakPolarHBondContact CB-OH 3.4Å; Q436-Y442 HydrophobicContact CB-CD2 3.92Å; Q436-Y442 HydrophobicContact CB-CE2 4.14Å; Q436-Y442 WeakPolarHBondContact O-CB 3.28Å; Q436-Y442 WeakPolarHBondContact O-CD2 3.36Å; L437-Y442 HydrophobicContact CD2-CD1 3.78Å; L437-Y442 HydrophobicContact CD2-CD2 4.46Å; L437-Y442 HydrophobicContact CD2-CE1 3.32Å; L437-Y442 HydrophobicContact CD2-CE2 4.08Å; L437-Y442 HydrophobicContact CD2-CG 4.34Å; L437-Y442 VanDerWaalsContact CD2-CZ 3.49Å; M439-Y442 VanDerWaalsContact O-CB 3.26Å; M439-Y442 WeakPolarHBondContact O-CB 3.16Å; M439-Y442 PolarHBondContact O-N 2.87Å; A440-Y442 PolarHBondContact O-N 3.39Å; Y442-C444 VanDerWaalsContact C-N 3.26Å; Y442-C444 PolarHBondContact O-N 3Å |
| 443 | S | 95.1 | Very high | 95.2 | Very high | 85 Ų | 85 | 54 Ų | 54 | 59% | 0.594 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -77.1 | -5.5 | 174.2 | 62.2 | 0 | 0 | 0 | 0 | 114.2 | A440 A441 | A440-S443 PolarHBondContact O-OG 3.11Å; A441-S443 PolarHBondContact O-N 2.86Å |
| 444 | C | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -78.7 | 126.4 | 179.4 | -63.3 | 0 | 0 | 0 | 0 | 110.7 | K427 A441 Y442 H449 M450 | K427-C444 WeakPolarHBondContact CE-O 3.46Å; K427-C444 PolarHBondContact NZ-O 2.65Å; A441-C444 VanDerWaalsContact O-CB 3.27Å; A441-C444 WeakPolarHBondContact O-CB 3.31Å; A441-C444 PolarHBondContact O-N 2.83Å; A441-C444 PolarHBondContact O-SG 2.71Å; Y442-C444 VanDerWaalsContact C-N 3.26Å; Y442-C444 PolarHBondContact O-N 3Å; C444-H449 HydrophobicContact CB-CB 4.47Å; C444-M450 HydrophobicContact CB-CB 3.88Å; C444-M450 HydrophobicContact CB-CE 4.17Å; C444-M450 HydrophobicContact CB-CG 4.48Å | ||
| 445 | D | 94.9 | Very high | 95.4 | Very high | 134 Ų | 134 | 52.7 Ų | 52.7 | 72% | 0.717 | 28% | 0.282 | S | S | * | . | trans | -101.9 | 3.1 | -176.1 | -61.1 | -36.8 | 0 | 0 | 0 | 114.1 | K427 | K427-D445 IonicContact NZ-OD1 3.13Å; K427-D445 PolarHBondContact NZ-OD1 3.46Å | ||
| 446 | S | 95.6 | Very high | 95.4 | Very high | 45 Ų | 45 | 53.1 Ų | 53.1 | 32% | 0.315 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -142.6 | 159 | 173.5 | 74.2 | 0 | 0 | 0 | 0 | 111.8 | S448 H449 M450 | S446-S448 VanDerWaalsContact C-N 3.33Å; S446-S448 PolarHBondContact OG-OG 2.84Å; S446-H449 PolarHBondContact O-N 3.22Å; S446-H449 VanDerWaalsContact OG-CB 3.3Å; S446-H449 WeakPolarHBondContact OG-CB 3.46Å; S446-H449 PolarHBondContact OG-N 3.19Å; S446-H449 VanDerWaalsContact OG-N 3.08Å; S446-M450 PolarHBondContact O-N 3.08Å |
| 447 | I | 96.8 | Very high | 95.2 | Very high | 16 Ų | 16 | 57.8 Ų | 57.8 | 8% | 0.082 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 174.9 | -67 | 153.3 | 0 | 0 | 0 | 110.7 | L385 A418 I421 L426 H449 M450 L451 A468 | L385-I447 HydrophobicContact CD2-CB 4.22Å; L385-I447 HydrophobicContact CD2-CG1 4.11Å; L385-I447 HydrophobicContact CD2-CG2 3.78Å; A418-I447 HydrophobicContact CB-CG2 4.19Å; I421-I447 HydrophobicContact CB-CD1 3.85Å; I421-I447 HydrophobicContact CD1-CG2 4.38Å; I421-I447 HydrophobicContact CG2-CD1 3.86Å; I421-I447 HydrophobicContact CG2-CG1 4.23Å; I421-I447 WeakPolarHBondContact O-CD1 3.43Å; L426-I447 HydrophobicContact CD1-CG1 4.08Å; I447-H449 PolarHBondContact O-N 3.16Å; I447-M450 PolarHBondContact O-N 2.77Å; I447-L451 HydrophobicContact CG2-CD1 3.87Å; I447-L451 HydrophobicContact CG2-CG 4.43Å; I447-L451 WeakPolarHBondContact O-CB 3.28Å; I447-L451 WeakPolarHBondContact O-CG 3.38Å; I447-L451 PolarHBondContact O-N 3.02Å; I447-A468 HydrophobicContact CB-CB 3.74Å; I447-A468 HydrophobicContact CG2-CB 3.6Å |
| 448 | S | 95.7 | Very high | 95 | Very high | 32 Ų | 32 | 55.5 Ų | 55.5 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 177.7 | 50.4 | 0 | 0 | 0 | 0 | 111.9 | S446 M450 L451 Q452 A466 | S446-S448 VanDerWaalsContact C-N 3.33Å; S446-S448 PolarHBondContact OG-OG 2.84Å; S448-M450 PolarHBondContact O-N 2.89Å; S448-L451 PolarHBondContact O-N 3.46Å; S448-Q452 WeakPolarHBondContact O-CB 3.49Å; S448-Q452 VanDerWaalsContact O-CG 3.28Å; S448-Q452 WeakPolarHBondContact O-CG 3.32Å; S448-Q452 PolarHBondContact O-N 2.95Å; S448-A466 WeakPolarHBondContact CB-O 3.46Å |
| 449 | H | 97.2 | Very high | 95 | Very high | 87 Ų | 87 | 46.4 Ų | 46.4 | 40% | 0.403 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 179.2 | -174.3 | -161.6 | 0 | 0 | 0 | 111.8 | C444 S446 I447 Q452 L453 | C444-H449 HydrophobicContact CB-CB 4.47Å; S446-H449 PolarHBondContact O-N 3.22Å; S446-H449 VanDerWaalsContact OG-CB 3.3Å; S446-H449 WeakPolarHBondContact OG-CB 3.46Å; S446-H449 PolarHBondContact OG-N 3.19Å; S446-H449 VanDerWaalsContact OG-N 3.08Å; I447-H449 PolarHBondContact O-N 3.16Å; H449-Q452 PolarHBondContact O-N 3.48Å; H449-L453 PolarHBondContact O-N 2.84Å |
| 450 | M | 97.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 176.4 | -172 | 174.9 | -73.4 | 0 | 0 | 112.3 | L385 I386 L389 L426 A441 C444 S446 I447 S448 L453 Y454 | L385-M450 HydrophobicContact CB-SD 4.19Å; L385-M450 HydrophobicContact CD2-SD 3.98Å; L385-M450 HydrophobicContact CG-SD 3.86Å; I386-M450 HydrophobicContact CB-CE 3.74Å; I386-M450 HydrophobicContact CB-SD 3.81Å; I386-M450 HydrophobicContact CD1-CE 4.2Å; I386-M450 HydrophobicContact CG1-CE 4.01Å; I386-M450 HydrophobicContact CG1-SD 4.29Å; L389-M450 HydrophobicContact CD1-CG 3.91Å; L389-M450 HydrophobicContact CD1-SD 4.25Å; L426-M450 HydrophobicContact CD1-CB 4Å; L426-M450 HydrophobicContact CD1-CE 3.44Å; L426-M450 VanDerWaalsContact CD1-CE 3.44Å; L426-M450 HydrophobicContact CD1-CG 4.48Å; L426-M450 HydrophobicContact CD1-SD 3.66Å; L426-M450 HydrophobicContact CG-CE 3.83Å; A441-M450 HydrophobicContact CB-CE 4.44Å; A441-M450 HydrophobicContact CB-CG 4.3Å; C444-M450 HydrophobicContact CB-CB 3.88Å; C444-M450 HydrophobicContact CB-CE 4.17Å; C444-M450 HydrophobicContact CB-CG 4.48Å; S446-M450 PolarHBondContact O-N 3.08Å; I447-M450 PolarHBondContact O-N 2.77Å; S448-M450 PolarHBondContact O-N 2.89Å; M450-L453 PolarHBondContact O-N 3.36Å; M450-Y454 WeakPolarHBondContact O-CB 3.28Å; M450-Y454 PolarHBondContact O-N 3.1Å |
| 451 | L | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 173.9 | -73.3 | 170.4 | 0 | 0 | 0 | 111.7 | L389 A418 I447 S448 L453 Y454 Y455 A466 L513 | L389-L451 HydrophobicContact CD1-CD2 4.15Å; L389-L451 HydrophobicContact CD2-CD2 4.24Å; A418-L451 HydrophobicContact CB-CD1 3.51Å; I447-L451 HydrophobicContact CG2-CD1 3.87Å; I447-L451 HydrophobicContact CG2-CG 4.43Å; I447-L451 WeakPolarHBondContact O-CB 3.28Å; I447-L451 WeakPolarHBondContact O-CG 3.38Å; I447-L451 PolarHBondContact O-N 3.02Å; S448-L451 PolarHBondContact O-N 3.46Å; L451-L453 VanDerWaalsContact C-N 3.32Å; L451-L453 PolarHBondContact O-N 2.97Å; L451-Y454 PolarHBondContact O-N 3.12Å; L451-Y455 VanDerWaalsContact O-CD2 3.26Å; L451-Y455 WeakPolarHBondContact O-CD2 3.34Å; L451-Y455 PolarHBondContact O-N 2.96Å; L451-A466 HydrophobicContact CB-CB 4.01Å; L451-L513 HydrophobicContact CD1-CD1 4.13Å |
| 452 | Q | 95.8 | Very high | 94.7 | Very high | 54 Ų | 54 | 48.1 Ų | 48.1 | 25% | 0.252 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.6 | -48.3 | 174.2 | -74.9 | 171.7 | 12.4 | 0 | 0 | 110.8 | S448 H449 Y455 Q456 A466 | S448-Q452 WeakPolarHBondContact O-CB 3.49Å; S448-Q452 VanDerWaalsContact O-CG 3.28Å; S448-Q452 WeakPolarHBondContact O-CG 3.32Å; S448-Q452 PolarHBondContact O-N 2.95Å; H449-Q452 PolarHBondContact O-N 3.48Å; Q452-Y455 PolarHBondContact O-N 3.1Å; Q452-Q456 WeakPolarHBondContact O-CB 3.5Å; Q452-Q456 WeakPolarHBondContact O-CG 3.37Å; Q452-Q456 PolarHBondContact O-N 3.38Å; Q452-A466 HydrophobicContact CG-CB 3.56Å; Q452-A466 PolarHBondContact NE2-O 3.44Å |
| 453 | L | 95.7 | Very high | 94.6 | Very high | 39 Ų | 39 | 50.2 Ų | 50.2 | 20% | 0.204 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 178 | -179.4 | 62.9 | 0 | 0 | 0 | 112 | A441 H449 M450 L451 Y455 Q456 C457 | A441-L453 HydrophobicContact CB-CD2 3.89Å; H449-L453 PolarHBondContact O-N 2.84Å; M450-L453 PolarHBondContact O-N 3.36Å; L451-L453 VanDerWaalsContact C-N 3.32Å; L451-L453 PolarHBondContact O-N 2.97Å; L453-Y455 PolarHBondContact O-N 2.95Å; L453-Q456 PolarHBondContact O-N 2.91Å; L453-C457 PolarHBondContact O-N 3.22Å; L453-C457 PolarHBondContact O-SG 2.95Å |
| 454 | Y | 95.5 | Very high | 94.7 | Very high | 23 Ų | 23 | 47 Ų | 47 | 9% | 0.09 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.9 | -53.3 | 176.2 | 171.5 | -97 | 0 | 0 | 0 | 111.1 | L389 G393 L397 M450 L451 Q456 C457 T458 | L389-Y454 HydrophobicContact CB-CD2 3.84Å; L389-Y454 HydrophobicContact CB-CE2 4.3Å; L389-Y454 HydrophobicContact CB-CG 4.4Å; L389-Y454 HydrophobicContact CD1-CG 4.34Å; L389-Y454 HydrophobicContact CD2-CD1 4.24Å; L389-Y454 HydrophobicContact CD2-CD2 4.12Å; L389-Y454 HydrophobicContact CD2-CE1 4.5Å; L389-Y454 HydrophobicContact CD2-CE2 4.38Å; L389-Y454 HydrophobicContact CD2-CG 4.05Å; L389-Y454 HydrophobicContact CG-CD2 4.39Å; L389-Y454 HydrophobicContact CG-CG 4.5Å; G393-Y454 PolarHBondContact O-OH 3.14Å; G393-Y454 VanDerWaalsContact O-OH 3.05Å; L397-Y454 HydrophobicContact CD1-CD1 3.96Å; L397-Y454 HydrophobicContact CD1-CE1 3.36Å; L397-Y454 HydrophobicContact CG-CE1 3.89Å; M450-Y454 WeakPolarHBondContact O-CB 3.28Å; M450-Y454 PolarHBondContact O-N 3.1Å; L451-Y454 PolarHBondContact O-N 3.12Å; Y454-Q456 VanDerWaalsContact C-N 3.34Å; Y454-Q456 PolarHBondContact O-N 3.33Å; Y454-C457 PolarHBondContact O-N 2.84Å; Y454-C457 VanDerWaalsContact O-N 3.16Å; Y454-T458 PolarHBondContact O-N 3.38Å; Y454-T458 PolarHBondContact O-OG1 3.43Å |
| 455 | Y | 95 | Very high | 94.6 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.4 | -34 | 179.6 | -78.5 | -72.2 | 0 | 0 | 0 | 112.8 | V416 L451 Q452 L453 C457 T458 Y459 T464 | V416-Y455 HydrophobicContact CB-CE2 4.46Å; V416-Y455 HydrophobicContact CG1-CE2 4.01Å; V416-Y455 HydrophobicContact CG2-CD2 4.41Å; V416-Y455 HydrophobicContact CG2-CE2 4.03Å; L451-Y455 VanDerWaalsContact O-CD2 3.26Å; L451-Y455 WeakPolarHBondContact O-CD2 3.34Å; L451-Y455 PolarHBondContact O-N 2.96Å; Q452-Y455 PolarHBondContact O-N 3.1Å; L453-Y455 PolarHBondContact O-N 2.95Å; Y455-C457 VanDerWaalsContact C-N 3.28Å; Y455-C457 PolarHBondContact O-N 3.35Å; Y455-T458 PolarHBondContact O-N 3.38Å; Y455-Y459 AromaticContact CD1-CD2 3.57Å; Y455-Y459 HydrophobicContact CD1-CD2 3.57Å; Y455-Y459 HydrophobicContact CD1-CE1 4.42Å; Y455-Y459 AromaticContact CD1-CE2 3.4Å; Y455-Y459 HydrophobicContact CD1-CE2 3.4Å; Y455-Y459 VanDerWaalsContact CD1-CE2 3.4Å; Y455-Y459 HydrophobicContact CD1-CG 4.19Å; Y455-Y459 AromaticContact CD1-CZ 3.86Å; Y455-Y459 HydrophobicContact CE1-CD2 4.24Å; Y455-Y459 AromaticContact CE1-CE2 3.58Å; Y455-Y459 HydrophobicContact CE1-CE2 3.58Å; Y455-Y459 AromaticContact CE1-CZ 3.76Å; Y455-Y459 WeakPolarHBondContact O-CA 3.23Å; Y455-Y459 VanDerWaalsContact O-CB 3.23Å; Y455-Y459 WeakPolarHBondContact O-CB 3.44Å; Y455-Y459 PolarHBondContact O-N 3.1Å; Y455-T464 WeakPolarHBondContact CB-OG1 3.28Å; Y455-T464 HydrophobicContact CD2-CG2 3.99Å; Y455-T464 HydrophobicContact CG-CG2 4.09Å |
| 456 | Q | 92.7 | Very high | 94.6 | Very high | 119 Ų | 119 | 43.1 Ų | 43.1 | 56% | 0.556 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -63.2 | -34.5 | 173.7 | -76.9 | 170.3 | 0.4 | 0 | 0 | 112.7 | Q452 L453 Y454 | Q452-Q456 WeakPolarHBondContact O-CB 3.5Å; Q452-Q456 WeakPolarHBondContact O-CG 3.37Å; Q452-Q456 PolarHBondContact O-N 3.38Å; L453-Q456 PolarHBondContact O-N 2.91Å; Y454-Q456 VanDerWaalsContact C-N 3.34Å; Y454-Q456 PolarHBondContact O-N 3.33Å |
| 457 | C | 92.1 | Very high | 94.6 | Very high | 100 Ų | 100 | 42.1 Ų | 42.1 | 68% | 0.676 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -77.5 | -38.1 | 177.4 | -69.4 | 0 | 0 | 0 | 0 | 112.5 | L453 Y454 Y455 | L453-C457 PolarHBondContact O-N 3.22Å; L453-C457 PolarHBondContact O-SG 2.95Å; Y454-C457 PolarHBondContact O-N 2.84Å; Y454-C457 VanDerWaalsContact O-N 3.16Å; Y455-C457 VanDerWaalsContact C-N 3.28Å; Y455-C457 PolarHBondContact O-N 3.35Å |
| 458 | T | 91 | Very high | 94.5 | Very high | 31 Ų | 31 | 42.7 Ų | 42.7 | 19% | 0.19 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -90.2 | -27.1 | -174.3 | -53.8 | 0 | 0 | 0 | 0 | 113.1 | Y454 Y455 | Y454-T458 PolarHBondContact O-N 3.38Å; Y454-T458 PolarHBondContact O-OG1 3.43Å; Y455-T458 PolarHBondContact O-N 3.38Å |
| 459 | Y | 92.6 | Very high | 94.3 | Very high | 21 Ų | 21 | 41.4 Ų | 41.4 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -107.9 | 114.2 | -176.1 | -73.7 | -130.2 | 0 | 0 | 0 | 111.1 | G408 T409 V412 Y455 | G408-Y459 VanDerWaalsContact O-CE1 3.32Å; G408-Y459 WeakPolarHBondContact O-CE1 3.19Å; T409-Y459 HydrophobicContact CG2-CD2 4.41Å; T409-Y459 HydrophobicContact CG2-CE1 4.36Å; T409-Y459 HydrophobicContact CG2-CE2 4.02Å; T409-Y459 CarbonylContact O-C 3.54Å; T409-Y459 VanDerWaalsContact O-CA 3.23Å; T409-Y459 WeakPolarHBondContact O-CA 3.34Å; V412-Y459 HydrophobicContact CB-CD1 3.99Å; V412-Y459 HydrophobicContact CB-CE1 4.36Å; V412-Y459 HydrophobicContact CG1-CD1 4.5Å; V412-Y459 HydrophobicContact CG1-CE1 4.46Å; V412-Y459 HydrophobicContact CG2-CD1 3.92Å; V412-Y459 HydrophobicContact CG2-CE1 4.12Å; Y455-Y459 AromaticContact CD1-CD2 3.57Å; Y455-Y459 HydrophobicContact CD1-CD2 3.57Å; Y455-Y459 HydrophobicContact CD1-CE1 4.42Å; Y455-Y459 AromaticContact CD1-CE2 3.4Å; Y455-Y459 HydrophobicContact CD1-CE2 3.4Å; Y455-Y459 VanDerWaalsContact CD1-CE2 3.4Å; Y455-Y459 HydrophobicContact CD1-CG 4.19Å; Y455-Y459 AromaticContact CD1-CZ 3.86Å; Y455-Y459 HydrophobicContact CE1-CD2 4.24Å; Y455-Y459 AromaticContact CE1-CE2 3.58Å; Y455-Y459 HydrophobicContact CE1-CE2 3.58Å; Y455-Y459 AromaticContact CE1-CZ 3.76Å; Y455-Y459 WeakPolarHBondContact O-CA 3.23Å; Y455-Y459 VanDerWaalsContact O-CB 3.23Å; Y455-Y459 WeakPolarHBondContact O-CB 3.44Å; Y455-Y459 PolarHBondContact O-N 3.1Å |
| 460 | H | 90.8 | Very high | 94.1 | Very high | 117 Ų | 117 | 38.9 Ų | 38.9 | 54% | 0.542 | 23% | 0.229 | S | C | . | . | B | Isolated β-bridge | trans | -72.3 | 131.1 | -177.8 | 176.9 | -72.2 | 0 | 0 | 0 | 111.5 | T409 S410 Y411 S462 | T409-H460 PolarHBondContact O-N 2.62Å; S410-H460 CarbonylContact C-O 3.58Å; S410-H460 VanDerWaalsContact CA-O 3.27Å; S410-H460 WeakPolarHBondContact CA-O 3.37Å; Y411-H460 AromaticContact CZ-CE1 3.95Å; Y411-H460 AromaticContact CZ-ND1 3.94Å; Y411-H460 PolarHBondContact N-O 3.18Å; H460-S462 PolarHBondContact O-N 3.3Å; H460-S462 VanDerWaalsContact O-N 3.11Å; H460-S462 PolarHBondContact O-OG 3.24Å |
| 461 | G | 90.8 | Very high | 93.9 | Very high | 47 Ų | 47 | 40 Ų | 40 | 49% | 0.485 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 33.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y411 | Y411-G461 WeakPolarHBondContact CA-O 3.5Š|
| 462 | S | 93.8 | Very high | 93.8 | Very high | 19 Ų | 19 | 41.7 Ų | 41.7 | 13% | 0.133 | 25% | 0.246 | C | C | . | . | trans | -116.2 | 152.9 | -171.5 | -62.7 | 0 | 0 | 0 | 0 | 110.9 | Y411 V412 H460 | Y411-S462 PolarHBondContact N-OG 2.79Å; Y411-S462 VanDerWaalsContact N-OG 3.15Å; V412-S462 PolarHBondContact N-OG 2.84Å; V412-S462 CarbonylContact O-C 3.47Å; V412-S462 WeakPolarHBondContact O-CA 3.49Å; V412-S462 WeakPolarHBondContact O-CB 3.29Å; H460-S462 PolarHBondContact O-N 3.3Å; H460-S462 VanDerWaalsContact O-N 3.11Å; H460-S462 PolarHBondContact O-OG 3.24Å | ||
| 463 | V | 94.8 | Very high | 93.9 | Very high | 83 Ų | 83 | 39.1 Ų | 39.1 | 50% | 0.503 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 121.4 | 178.8 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | V412 V413 Q414 | V412-V463 PolarHBondContact O-N 2.89Å; V413-V463 WeakPolarHBondContact CA-O 3.26Å; V413-V463 HydrophobicContact CG1-CB 4.48Å; V413-V463 HydrophobicContact CG2-CB 4.44Å; Q414-V463 PolarHBondContact N-O 3.2Å |
| 464 | T | 96 | Very high | 93.8 | Very high | 16 Ų | 16 | 40.6 Ų | 40.6 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 118.3 | 178.9 | -58.5 | 0 | 0 | 0 | 0 | 109.9 | Q414 V416 Y455 A466 | Q414-T464 HydrophobicContact CG-CG2 3.99Å; Q414-T464 WeakPolarHBondContact CG-OG1 3.17Å; Q414-T464 PolarHBondContact NE2-OG1 3.06Å; Q414-T464 WeakPolarHBondContact O-CA 2.99Å; V416-T464 HydrophobicContact CB-CG2 4.42Å; V416-T464 HydrophobicContact CG2-CG2 3.9Å; Y455-T464 WeakPolarHBondContact CB-OG1 3.28Å; Y455-T464 HydrophobicContact CD2-CG2 3.99Å; Y455-T464 HydrophobicContact CG-CG2 4.09Å; T464-A466 HydrophobicContact CG2-CB 4.45Å |
| 465 | N | 95.5 | Very high | 93.8 | Very high | 48 Ų | 48 | 39.6 Ų | 39.6 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 111 | 163.7 | -171.5 | 23.7 | 0 | 0 | 0 | 108.4 | Q414 S415 V416 | Q414-N465 PolarHBondContact O-N 2.84Å; S415-N465 CarbonylContact C-O 3.56Å; S415-N465 WeakPolarHBondContact CA-O 3.18Å; V416-N465 PolarHBondContact N-O 2.81Å |
| 466 | A | 95.8 | Very high | 93.6 | Very high | 6 Ų | 6 | 45 Ų | 45 | 5% | 0.05 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 133.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V416 S448 L451 Q452 T464 | V416-A466 CarbonylContact O-C 3.59Å; V416-A466 VanDerWaalsContact O-CA 3.24Å; V416-A466 WeakPolarHBondContact O-CA 3.49Å; S448-A466 WeakPolarHBondContact CB-O 3.46Å; L451-A466 HydrophobicContact CB-CB 4.01Å; Q452-A466 HydrophobicContact CG-CB 3.56Å; Q452-A466 PolarHBondContact NE2-O 3.44Å; T464-A466 HydrophobicContact CG2-CB 4.45Å |
| 467 | A | 94.1 | Very high | 93.6 | Very high | 24 Ų | 24 | 40.8 Ų | 40.8 | 20% | 0.198 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 152.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110 | V416 T417 A418 | V416-A467 PolarHBondContact O-N 2.97Å; T417-A467 WeakPolarHBondContact CA-O 3.37Å; T417-A467 HydrophobicContact CG2-CB 4.47Å; A418-A467 PolarHBondContact N-O 3.42Å |
| 468 | A | 94.6 | Very high | 93.7 | Very high | 28 Ų | 28 | 36.4 Ų | 36.4 | 23% | 0.231 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 144.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A418 I447 | A418-A468 HydrophobicContact CB-CB 4.26Å; A418-A468 CarbonylContact O-C 3.57Å; A418-A468 VanDerWaalsContact O-CA 3.25Å; A418-A468 WeakPolarHBondContact O-CA 3.38Å; I447-A468 HydrophobicContact CB-CB 3.74Å; I447-A468 HydrophobicContact CG2-CB 3.6Å |
| 469 | T | 93 | Very high | 94 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 146.2 | 169.5 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | Q44 L343 A418 R419 G420 L471 | Q44-T469 PolarHBondContact O-OG1 3.39Å; L343-T469 HydrophobicContact CD2-CG2 3.56Å; A418-T469 PolarHBondContact O-N 2.73Å; R419-T469 CarbonylContact C-O 3.47Å; R419-T469 VanDerWaalsContact CA-O 3.24Å; R419-T469 WeakPolarHBondContact CA-O 3.31Å; R419-T469 HydrophobicContact CB-CG2 3.49Å; R419-T469 VanDerWaalsContact CB-CG2 3.49Å; G420-T469 PolarHBondContact N-O 3.16Å; T469-L471 HydrophobicContact CG2-CB 4.2Å; T469-L471 PolarHBondContact O-N 3Å; T469-L471 PolarHBondContact OG1-N 2.88Å |
| 470 | P | 92.4 | Very high | 94.2 | Very high | 35 Ų | 35 | 34.5 Ų | 34.5 | 23% | 0.227 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -71.9 | -10.6 | 172.5 | 31.7 | -37.4 | 0 | 0 | 0 | 112.8 | V40 Q44 G420 P472 | V40-P470 HydrophobicContact CG1-CG 4.06Å; Q44-P470 VanDerWaalsContact CD-CD 3.5Å; Q44-P470 VanDerWaalsContact OE1-CD 3.3Å; G420-P470 WeakPolarHBondContact CA-O 3.39Å; P470-P472 VanDerWaalsContact O-CD 3.31Å; P470-P472 WeakPolarHBondContact O-CD 3.49Å |
| 471 | L | 92.6 | Very high | 94.3 | Very high | 24 Ų | 24 | 30 Ų | 30 | 13% | 0.126 | 18% | 0.18 | C | C | . | . | trans | -71.8 | 114.8 | -177.7 | -63.8 | 177.4 | 0 | 0 | 0 | 111.7 | V40 Q44 L45 P46 R419 G420 T469 | V40-L471 HydrophobicContact CG1-CD2 4.14Å; V40-L471 HydrophobicContact CG1-CG 4.45Å; V40-L471 HydrophobicContact CG2-CD2 4.01Å; Q44-L471 VanDerWaalsContact O-CD1 3.28Å; Q44-L471 WeakPolarHBondContact O-CD1 3.39Å; L45-L471 HydrophobicContact CD2-CD1 4.18Å; L45-L471 HydrophobicContact CD2-CD2 4.34Å; P46-L471 HydrophobicContact CG-CD1 4.38Å; R419-L471 VanDerWaalsContact CB-O 3.26Å; R419-L471 WeakPolarHBondContact CB-O 3.23Å; R419-L471 PolarHBondContact NE-O 3.41Å; G420-L471 PolarHBondContact N-O 3.29Å; G420-L471 VanDerWaalsContact N-O 3.11Å; T469-L471 HydrophobicContact CG2-CB 4.2Å; T469-L471 PolarHBondContact O-N 3Å; T469-L471 PolarHBondContact OG1-N 2.88Å | ||
| 472 | P | 95.5 | Very high | 94.5 | Very high | 36 Ų | 36 | 31.3 Ų | 31.3 | 23% | 0.234 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -73.5 | 168.1 | 179 | 33.3 | -36.5 | 0 | 0 | 0 | 111.5 | R419 P470 K474 S509 | R419-P472 PolarHBondContact NE-O 3.42Å; R419-P472 PolarHBondContact NH2-O 3.5Å; P470-P472 VanDerWaalsContact O-CD 3.31Å; P470-P472 WeakPolarHBondContact O-CD 3.49Å; P472-K474 PolarHBondContact O-N 2.96Å; P472-S509 WeakPolarHBondContact CG-OG 3.17Å |
| 473 | L | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 120.9 | 163.7 | -176.6 | 76.8 | 0 | 0 | 0 | 107.4 | Q26 A336 L375 T475 F479 S509 A510 M512 | Q26-L473 VanDerWaalsContact CD-CD1 3.45Å; Q26-L473 HydrophobicContact CG-CD1 3.92Å; A336-L473 HydrophobicContact CB-CD1 4.21Å; A336-L473 HydrophobicContact CB-CD2 3.85Å; L375-L473 HydrophobicContact CD1-CD2 3.67Å; L375-L473 HydrophobicContact CD2-CD2 3.76Å; L375-L473 HydrophobicContact CG-CD2 4.4Å; L473-T475 HydrophobicContact CD2-CG2 4.06Å; L473-T475 HydrophobicContact CG-CG2 4.32Å; L473-F479 HydrophobicContact CD2-CE2 4.02Å; L473-F479 HydrophobicContact CD2-CZ 4.03Å; L473-S509 CarbonylContact O-C 3.57Å; L473-S509 WeakPolarHBondContact O-CA 3.25Å; L473-S509 VanDerWaalsContact O-CB 3.3Å; L473-S509 WeakPolarHBondContact O-CB 3.25Å; L473-A510 PolarHBondContact N-O 2.88Å; L473-A510 PolarHBondContact O-N 2.97Å; L473-M512 HydrophobicContact CB-CG 4.33Å; L473-M512 HydrophobicContact CB-SD 3.78Å; L473-M512 HydrophobicContact CD1-SD 4.01Å; L473-M512 HydrophobicContact CD2-SD 3.86Å; L473-M512 HydrophobicContact CG-SD 4.1Å |
| 474 | K | 95.2 | Very high | 94.7 | Very high | 71 Ų | 71 | 26.9 Ų | 26.9 | 31% | 0.309 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 123.2 | 174.4 | -65.8 | -175.6 | 178.6 | -172.2 | 0 | 109 | Q26 A29 P472 | Q26-K474 PolarHBondContact OE1-O 3.45Å; Q26-K474 VanDerWaalsContact OE1-O 3.05Å; A29-K474 HydrophobicContact CB-CB 4.32Å; A29-K474 HydrophobicContact CB-CD 4.05Å; A29-K474 WeakPolarHBondContact O-CD 3.21Å; A29-K474 VanDerWaalsContact O-CE 3.28Å; A29-K474 WeakPolarHBondContact O-CE 3.04Å; A29-K474 PolarHBondContact O-NZ 3.42Å; P472-K474 PolarHBondContact O-N 2.96Å |
| 475 | T | 95.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | trans | -111.1 | 23.3 | -174.3 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | L473 F479 F484 V507 D508 S509 | L473-T475 HydrophobicContact CD2-CG2 4.06Å; L473-T475 HydrophobicContact CG-CG2 4.32Å; T475-F479 HydrophobicContact CG2-CD1 3.92Å; T475-F479 HydrophobicContact CG2-CE1 3.98Å; T475-F479 HydrophobicContact CG2-CG 4.42Å; T475-F484 HydrophobicContact CG2-CE2 3.61Å; T475-F484 HydrophobicContact CG2-CZ 3.6Å; T475-V507 PolarHBondContact OG1-O 3.03Å; T475-D508 PolarHBondContact N-O 2.94Å; T475-D508 PolarHBondContact OG1-O 2.88Å; T475-S509 PolarHBondContact OG1-N 2.79Å | ||
| 476 | Q | 89.8 | Confident | 94.8 | Very high | 115 Ų | 115 | 27.2 Ų | 27.2 | 54% | 0.537 | 16% | 0.156 | S | C | . | . | trans | -73.2 | 167.6 | 174.4 | -61.5 | 178.3 | 5.6 | 0 | 0 | 111 | F479 | Q476-F479 WeakPolarHBondContact O-CB 3.39Å; Q476-F479 PolarHBondContact O-N 3.37Å | ||
| 477 | L | 92.6 | Very high | 94.8 | Very high | 30 Ų | 30 | 28.3 Ų | 28.3 | 16% | 0.157 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 133.6 | 176.9 | -74.3 | 170.5 | 0 | 0 | 0 | 111 | Y137 P148 Y152 L154 Y481 | Y137-L477 HydrophobicContact CE2-CB 4.31Å; P148-L477 WeakPolarHBondContact O-CD1 3.25Å; Y152-L477 HydrophobicContact CD2-CD1 3.67Å; Y152-L477 HydrophobicContact CD2-CD2 4.25Å; Y152-L477 HydrophobicContact CE2-CD1 3.67Å; L154-L477 HydrophobicContact CD1-CD2 4.28Å; L477-Y481 HydrophobicContact CD2-CD1 4.26Å; L477-Y481 HydrophobicContact CD2-CE1 3.82Å; L477-Y481 HydrophobicContact CG-CE1 4.49Å |
| 478 | P | 95.5 | Very high | 94.9 | Very high | 9 Ų | 9 | 27.6 Ų | 27.6 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -100.6 | 27.7 | 10.8 | 39.8 | -35.9 | 0 | 0 | 0 | 114.2 | H22 N25 Y137 L154 F164 Y328 | H22-P478 PolarHBondContact CE1-O 3.18Å; N25-P478 HydrophobicContact CB-CG 4.21Å; N25-P478 WeakPolarHBondContact ND2-CG 3.42Å; Y137-P478 HydrophobicContact CE1-CB 4.02Å; Y137-P478 HydrophobicContact CE1-CG 4.41Å; Y137-P478 HydrophobicContact CE2-CB 4.29Å; Y137-P478 WeakPolarHBondContact OH-CD 3.47Å; L154-P478 HydrophobicContact CD1-CB 3.83Å; F164-P478 HydrophobicContact CB-CB 4Å; F164-P478 VanDerWaalsContact O-CG 3.28Å; F164-P478 WeakPolarHBondContact O-CG 3.39Å; Y328-P478 WeakPolarHBondContact CE2-O 3.48Å; Y328-P478 PolarHBondContact OH-O 3.36Å |
| 479 | F | 96.8 | Very high | 95 | Very high | 11 Ų | 11 | 26.7 Ų | 26.7 | 5% | 0.048 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -67.3 | 142.8 | 171.2 | -166.3 | -85 | 0 | 0 | 0 | 110.1 | A332 A336 L375 L473 T475 Q476 Y481 F484 | A332-F479 HydrophobicContact CB-CD2 4.38Å; A332-F479 HydrophobicContact CB-CE2 3.97Å; A332-F479 HydrophobicContact CB-CZ 4.2Å; A336-F479 HydrophobicContact CB-CE2 4.4Å; L375-F479 HydrophobicContact CD2-CZ 4.23Å; L473-F479 HydrophobicContact CD2-CE2 4.02Å; L473-F479 HydrophobicContact CD2-CZ 4.03Å; T475-F479 HydrophobicContact CG2-CD1 3.92Å; T475-F479 HydrophobicContact CG2-CE1 3.98Å; T475-F479 HydrophobicContact CG2-CG 4.42Å; Q476-F479 WeakPolarHBondContact O-CB 3.39Å; Q476-F479 PolarHBondContact O-N 3.37Å; F479-Y481 PolarHBondContact O-N 3.5Å; F479-F484 HydrophobicContact CD1-CE2 4.31Å; F479-F484 AromaticContact CE1-CE2 3.81Å; F479-F484 HydrophobicContact CE1-CE2 3.81Å; F479-F484 HydrophobicContact CE1-CZ 4.31Å |
| 480 | P | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -70.9 | 73.7 | 177.8 | 30.8 | -38.7 | 0 | 0 | 0 | 112.4 | Y328 Q329 A332 E482 M483 | Y328-P480 HydrophobicContact CD1-CB 4.3Å; Y328-P480 HydrophobicContact CE1-CB 3.59Å; Y328-P480 HydrophobicContact CE1-CG 4.46Å; Q329-P480 HydrophobicContact CG-CB 3.99Å; A332-P480 VanDerWaalsContact CB-CD 3.42Å; A332-P480 HydrophobicContact CB-CG 3.37Å; P480-E482 VanDerWaalsContact C-OE2 3.28Å; P480-E482 WeakPolarHBondContact CA-OE2 3.49Å; P480-E482 PolarHBondContact O-N 2.98Å; P480-E482 VanDerWaalsContact O-N 3.16Å; P480-M483 HydrophobicContact CB-CG 3.96Å; P480-M483 HydrophobicContact CB-SD 3.65Å; P480-M483 HydrophobicContact CG-CG 4.3Å; P480-M483 HydrophobicContact CG-SD 3.39Å; P480-M483 WeakPolarHBondContact CG-SD 3.37Å; P480-M483 WeakPolarHBondContact O-CB 3.5Å; P480-M483 WeakPolarHBondContact O-CG 3.22Å; P480-M483 PolarHBondContact O-N 2.83Å; P480-M483 VanDerWaalsContact O-N 3.11Å | ||
| 481 | Y | 93.3 | Very high | 95.2 | Very high | 23 Ų | 23 | 35.6 Ų | 35.6 | 9% | 0.09 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -60.6 | -23.4 | -179.4 | 64.3 | -95.7 | 0 | 0 | 0 | 113.1 | N151 L477 F479 M483 F484 R506 | N151-Y481 PolarHBondContact OD1-OH 2.99Å; N151-Y481 VanDerWaalsContact OD1-OH 3.09Å; L477-Y481 HydrophobicContact CD2-CD1 4.26Å; L477-Y481 HydrophobicContact CD2-CE1 3.82Å; L477-Y481 HydrophobicContact CG-CE1 4.49Å; F479-Y481 PolarHBondContact O-N 3.5Å; Y481-M483 PolarHBondContact O-N 3.08Å; Y481-F484 PolarHBondContact O-N 2.87Å; Y481-R506 HydrophobicContact CD2-CB 4.17Å; Y481-R506 HydrophobicContact CD2-CG 3.63Å; Y481-R506 VanDerWaalsContact CE1-CZ 3.49Å; Y481-R506 HydrophobicContact CE2-CG 3.89Å; Y481-R506 HydrophobicContact CG-CB 4.43Å; Y481-R506 HydrophobicContact CG-CG 4.18Å; Y481-R506 PolarHBondContact OH-NH2 2.97Å |
| 482 | E | 94 | Very high | 95.4 | Very high | 75 Ų | 75 | 34.5 Ų | 34.5 | 35% | 0.35 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -67.2 | -14.5 | 177.9 | 70.4 | -79.3 | -176.4 | 0 | 0 | 113.1 | A155 Q329 P480 F484 | A155-E482 WeakPolarHBondContact CB-OE1 3.26Å; Q329-E482 PolarHBondContact NE2-OE1 3.49Å; P480-E482 VanDerWaalsContact C-OE2 3.28Å; P480-E482 WeakPolarHBondContact CA-OE2 3.49Å; P480-E482 PolarHBondContact O-N 2.98Å; P480-E482 VanDerWaalsContact O-N 3.16Å; E482-F484 PolarHBondContact O-N 2.94Å |
| 483 | M | 96.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -69.5 | -23.7 | 176.5 | -68.8 | 175.7 | 52.6 | 0 | 0 | 113.1 | L320 Q321 W322 Q329 L333 P480 Y481 A485 | L320-M483 CarbonylContact C-O 3.59Å; L320-M483 VanDerWaalsContact CA-O 3.25Å; L320-M483 WeakPolarHBondContact CA-O 3.24Å; L320-M483 HydrophobicContact CD1-CE 4.49Å; L320-M483 HydrophobicContact CD2-CB 4.32Å; Q321-M483 PolarHBondContact N-O 3.38Å; Q321-M483 WeakPolarHBondContact O-CA 3.48Å; Q321-M483 WeakPolarHBondContact O-CB 3.48Å; Q321-M483 WeakPolarHBondContact O-CG 3.32Å; W322-M483 HydrophobicContact CB-CE 3.79Å; W322-M483 HydrophobicContact CB-CG 4.02Å; W322-M483 HydrophobicContact CB-SD 4.08Å; W322-M483 HydrophobicContact CD2-CE 4.08Å; W322-M483 HydrophobicContact CE3-CE 3.81Å; W322-M483 HydrophobicContact CG-CE 4.11Å; Q329-M483 HydrophobicContact CB-CG 4.44Å; Q329-M483 HydrophobicContact CB-SD 3.67Å; Q329-M483 HydrophobicContact CG-CG 4.28Å; Q329-M483 HydrophobicContact CG-SD 4.04Å; L333-M483 HydrophobicContact CD1-CE 3.76Å; L333-M483 HydrophobicContact CD2-CE 3.61Å; L333-M483 HydrophobicContact CG-CE 3.61Å; P480-M483 HydrophobicContact CB-CG 3.96Å; P480-M483 HydrophobicContact CB-SD 3.65Å; P480-M483 HydrophobicContact CG-CG 4.3Å; P480-M483 HydrophobicContact CG-SD 3.39Å; P480-M483 WeakPolarHBondContact CG-SD 3.37Å; P480-M483 WeakPolarHBondContact O-CB 3.5Å; P480-M483 WeakPolarHBondContact O-CG 3.22Å; P480-M483 PolarHBondContact O-N 2.83Å; P480-M483 VanDerWaalsContact O-N 3.11Å; Y481-M483 PolarHBondContact O-N 3.08Å; M483-A485 PolarHBondContact O-N 2.98Å |
| 484 | F | 97.5 | Very high | 95.5 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.035 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -75.9 | 124 | -178.5 | -69.4 | -87.6 | 0 | 0 | 0 | 111.5 | L320 L375 T475 F479 Y481 E482 I488 V507 A510 | L320-F484 HydrophobicContact CD2-CB 4.46Å; L320-F484 HydrophobicContact CD2-CD1 3.49Å; L320-F484 VanDerWaalsContact CD2-CD1 3.49Å; L320-F484 HydrophobicContact CD2-CD2 4.34Å; L320-F484 HydrophobicContact CD2-CE1 3.67Å; L320-F484 HydrophobicContact CD2-CE2 4.48Å; L320-F484 HydrophobicContact CD2-CG 3.85Å; L320-F484 HydrophobicContact CD2-CZ 4.16Å; L375-F484 HydrophobicContact CD1-CE1 4.38Å; L375-F484 HydrophobicContact CD1-CZ 4.23Å; L375-F484 HydrophobicContact CG-CZ 4.42Å; T475-F484 HydrophobicContact CG2-CE2 3.61Å; T475-F484 HydrophobicContact CG2-CZ 3.6Å; F479-F484 HydrophobicContact CD1-CE2 4.31Å; F479-F484 AromaticContact CE1-CE2 3.81Å; F479-F484 HydrophobicContact CE1-CE2 3.81Å; F479-F484 HydrophobicContact CE1-CZ 4.31Å; Y481-F484 PolarHBondContact O-N 2.87Å; E482-F484 PolarHBondContact O-N 2.94Å; F484-I488 HydrophobicContact CD1-CG2 4.15Å; F484-V507 HydrophobicContact CB-CB 4.21Å; F484-V507 HydrophobicContact CB-CG2 3.43Å; F484-V507 VanDerWaalsContact CB-CG2 3.43Å; F484-V507 HydrophobicContact CD1-CB 4.33Å; F484-V507 HydrophobicContact CD1-CG1 4.19Å; F484-V507 HydrophobicContact CD1-CG2 4.04Å; F484-V507 HydrophobicContact CD2-CB 3.89Å; F484-V507 HydrophobicContact CD2-CG1 4.32Å; F484-V507 HydrophobicContact CD2-CG2 4.08Å; F484-V507 HydrophobicContact CE1-CG1 4.25Å; F484-V507 HydrophobicContact CE2-CB 4.35Å; F484-V507 HydrophobicContact CE2-CG1 4.38Å; F484-V507 HydrophobicContact CG-CB 3.89Å; F484-V507 HydrophobicContact CG-CG1 4.23Å; F484-V507 HydrophobicContact CG-CG2 3.59Å; F484-V507 HydrophobicContact CZ-CG1 4.36Å; F484-A510 HydrophobicContact CE1-CB 4.01Å; F484-A510 HydrophobicContact CZ-CB 4.16Å |
| 485 | A | 96.1 | Very high | 95.6 | Very high | 27 Ų | 27 | 37 Ų | 37 | 22% | 0.223 | 19% | 0.187 | C | C | . | . | trans | -58 | 155.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | G319 M483 G487 I488 R501 | G319-A485 WeakPolarHBondContact O-CB 3.27Å; G319-A485 PolarHBondContact O-N 2.95Å; M483-A485 PolarHBondContact O-N 2.98Å; A485-G487 PolarHBondContact O-N 3.11Å; A485-G487 VanDerWaalsContact O-N 3.16Å; A485-I488 HydrophobicContact CB-CG1 4.46Å; A485-I488 WeakPolarHBondContact O-CB 3.47Å; A485-I488 PolarHBondContact O-N 3.01Å; A485-I488 VanDerWaalsContact O-N 3.1Å; A485-R501 PolarHBondContact O-NH1 3.47Å | ||
| 486 | A | 95.8 | Very high | 95.6 | Very high | 44 Ų | 44 | 40.8 Ų | 40.8 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I488 E500 R501 | A486-I488 PolarHBondContact O-N 3.16Å; A486-E500 HydrophobicContact CB-CB 4.26Å; A486-E500 HydrophobicContact CB-CG 4.1Å; A486-R501 WeakPolarHBondContact O-CB 3.32Å; A486-R501 PolarHBondContact O-N 3.14Å |
| 487 | G | 96.5 | Very high | 95.6 | Very high | 28 Ų | 28 | 43.2 Ų | 43.2 | 29% | 0.289 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 9.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A485 L495 | A485-G487 PolarHBondContact O-N 3.11Å; A485-G487 VanDerWaalsContact O-N 3.16Å; G487-L495 WeakPolarHBondContact O-CB 3.46Å; G487-L495 PolarHBondContact O-N 3.42Å |
| 488 | I | 97.2 | Very high | 95.5 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.046 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -106.4 | 131.2 | 177 | -54.5 | -55.9 | 0 | 0 | 0 | 109.4 | P376 F484 A485 A486 Y493 R501 V507 | P376-I488 HydrophobicContact CG-CD1 3.87Å; P376-I488 HydrophobicContact CG-CG1 4.33Å; P376-I488 HydrophobicContact CG-CG2 4.37Å; F484-I488 HydrophobicContact CD1-CG2 4.15Å; A485-I488 HydrophobicContact CB-CG1 4.46Å; A485-I488 WeakPolarHBondContact O-CB 3.47Å; A485-I488 PolarHBondContact O-N 3.01Å; A485-I488 VanDerWaalsContact O-N 3.1Å; A486-I488 PolarHBondContact O-N 3.16Å; I488-Y493 CarbonylContact C-O 3.58Å; I488-Y493 WeakPolarHBondContact CA-O 3.28Å; I488-R501 WeakPolarHBondContact O-CB 3.46Å; I488-R501 VanDerWaalsContact O-CD 3.31Å; I488-R501 WeakPolarHBondContact O-CD 3.2Å; I488-R501 PolarHBondContact O-NH1 3.4Å; I488-V507 HydrophobicContact CB-CG2 4.32Å; I488-V507 HydrophobicContact CG2-CG2 3.92Å |
| 489 | S | 96.4 | Very high | 95.4 | Very high | 9 Ų | 9 | 47.2 Ų | 47.2 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | trans | -73.7 | 173.4 | 179.3 | 76.8 | 0 | 0 | 0 | 0 | 112.3 | D491 G492 Y493 V507 | S489-D491 PolarHBondContact O-N 2.85Å; S489-G492 PolarHBondContact O-N 3.21Å; S489-Y493 PolarHBondContact N-O 2.97Å; S489-Y493 PolarHBondContact OG-N 3.11Å; S489-Y493 PolarHBondContact OG-O 2.86Å; S489-V507 WeakPolarHBondContact O-CG2 3.39Å | ||
| 490 | R | 95.5 | Very high | 95.4 | Very high | 135 Ų | 135 | 53.9 Ų | 53.9 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -31.7 | 177.9 | -66.2 | -174.8 | 63.8 | 174.8 | -1.2 | 113.1 | G492 R506 V507 D508 S509 | R490-G492 VanDerWaalsContact C-N 3.31Å; R490-R506 WeakPolarHBondContact CG-O 3.35Å; R490-V507 CarbonylContact O-C 3.56Å; R490-D508 IonicContact CZ-OD2 2.96Å; R490-D508 IonicContact NE-OD2 2.79Å; R490-D508 PolarHBondContact NE-OD2 3.16Å; R490-D508 IonicContact NH2-OD1 3.69Å; R490-D508 IonicContact NH2-OD2 3.79Å; R490-D508 PolarHBondContact NH2-OD2 2.89Å; R490-D508 PolarHBondContact O-N 2.96Å; R490-S509 PolarHBondContact O-N 3.22Å |
| 491 | D | 94.3 | Very high | 95.2 | Very high | 92 Ų | 92 | 56 Ų | 56 | 49% | 0.492 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 13.3 | 178.5 | -53.2 | -44.2 | 0 | 0 | 0 | 112.7 | S489 Y493 S509 P511 | S489-D491 PolarHBondContact O-N 2.85Å; D491-Y493 VanDerWaalsContact C-N 3.33Å; D491-Y493 HydrophobicContact CB-CD2 3.84Å; D491-Y493 HydrophobicContact CB-CE2 3.89Å; D491-Y493 PolarHBondContact O-N 3.04Å; D491-S509 CarbonylContact C-O 3.57Å; D491-S509 WeakPolarHBondContact CA-O 3.41Å; D491-P511 VanDerWaalsContact O-CD 3.27Å; D491-P511 WeakPolarHBondContact O-CD 3.48Å |
| 492 | G | 96.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | S | Bend | trans | 77.6 | 11.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | P376 S489 R490 S509 | P376-G492 WeakPolarHBondContact CB-O 3.12Å; S489-G492 PolarHBondContact O-N 3.21Å; R490-G492 VanDerWaalsContact C-N 3.31Å; G492-S509 WeakPolarHBondContact CA-O 3.28Å; G492-S509 PolarHBondContact N-O 3.13Å |
| 493 | Y | 97 | Very high | 94.8 | Very high | 20 Ų | 20 | 66.4 Ų | 66.4 | 8% | 0.078 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 152.9 | 174 | -63.7 | -77.3 | 0 | 0 | 0 | 111.5 | L379 P422 I488 S489 D491 L495 P511 | L379-Y493 HydrophobicContact CB-CD1 3.72Å; L379-Y493 HydrophobicContact CB-CE1 3.98Å; L379-Y493 HydrophobicContact CD1-CE1 4.15Å; L379-Y493 WeakPolarHBondContact O-CA 3.4Å; P422-Y493 VanDerWaalsContact CD-OH 3.31Å; P422-Y493 WeakPolarHBondContact CD-OH 3.36Å; I488-Y493 CarbonylContact C-O 3.58Å; I488-Y493 WeakPolarHBondContact CA-O 3.28Å; S489-Y493 PolarHBondContact N-O 2.97Å; S489-Y493 PolarHBondContact OG-N 3.11Å; S489-Y493 PolarHBondContact OG-O 2.86Å; D491-Y493 VanDerWaalsContact C-N 3.33Å; D491-Y493 HydrophobicContact CB-CD2 3.84Å; D491-Y493 HydrophobicContact CB-CE2 3.89Å; D491-Y493 PolarHBondContact O-N 3.04Å; Y493-L495 PolarHBondContact O-N 3.05Å; Y493-P511 HydrophobicContact CD1-CG 4.39Å; Y493-P511 HydrophobicContact CE1-CG 4.12Å |
| 494 | R | 96.9 | Very high | 94.2 | Very high | 115 Ų | 115 | 69.9 Ų | 69.9 | 43% | 0.434 | 41% | 0.405 | S | S | . | . | B | Isolated β-bridge | trans | -74.9 | 124.4 | 175.2 | -175.2 | 175.2 | 175.8 | -176.7 | -2.2 | 110.4 | L379 R380 E381 | L379-R494 PolarHBondContact O-N 3.47Å; R380-R494 CarbonylContact C-O 3.57Å; R380-R494 VanDerWaalsContact CA-O 3.31Å; R380-R494 WeakPolarHBondContact CA-O 3.18Å; R380-R494 HydrophobicContact CG-CB 4.4Å; E381-R494 PolarHBondContact N-O 3.45Å |
| 495 | L | 97.2 | Very high | 93.9 | Very high | 23 Ų | 23 | 70.7 Ų | 70.7 | 12% | 0.12 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 159.5 | 173.7 | -65.7 | 173.7 | 0 | 0 | 0 | 111.1 | G487 Y493 A499 R501 | G487-L495 WeakPolarHBondContact O-CB 3.46Å; G487-L495 PolarHBondContact O-N 3.42Å; Y493-L495 PolarHBondContact O-N 3.05Å; L495-A499 HydrophobicContact CB-CB 4.13Å; L495-R501 HydrophobicContact CD1-CB 4.24Å |
| 496 | P | 94.3 | Very high | 93.8 | Very high | 82 Ų | 82 | 71 Ų | 71 | 53% | 0.532 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 153.6 | 171.2 | -25.5 | 35.1 | 0 | 0 | 0 | 112.5 | G498 A499 | P496-G498 PolarHBondContact O-N 2.77Å; P496-A499 HydrophobicContact CB-CB 4.32Å; P496-A499 VanDerWaalsContact O-CB 3.32Å; P496-A499 WeakPolarHBondContact O-CB 2.99Å; P496-A499 PolarHBondContact O-N 2.85Å |
| 497 | E | 89.7 | Confident | 93.8 | Very high | 165 Ų | 165 | 69 Ų | 69 | 77% | 0.771 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 129.2 | -179.1 | -66.4 | -174 | 166.8 | 0 | 0 | 111.8 | A499 | E497-A499 PolarHBondContact O-N 2.79Š|
| 498 | G | 90.5 | Very high | 93.7 | Very high | 84 Ų | 84 | 69.7 Ų | 69.7 | 87% | 0.866 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | -7.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | P496 | P496-G498 PolarHBondContact O-N 2.77Š|
| 499 | A | 94.9 | Very high | 93.6 | Very high | 40 Ų | 40 | 70.3 Ų | 70.3 | 33% | 0.331 | 39% | 0.392 | S | S | . | . | trans | -82.7 | 140.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L495 P496 E497 | L495-A499 HydrophobicContact CB-CB 4.13Å; P496-A499 HydrophobicContact CB-CB 4.32Å; P496-A499 VanDerWaalsContact O-CB 3.32Å; P496-A499 WeakPolarHBondContact O-CB 2.99Å; P496-A499 PolarHBondContact O-N 2.85Å; E497-A499 PolarHBondContact O-N 2.79Å | ||
| 500 | E | 95.3 | Very high | 93.7 | Very high | 150 Ų | 150 | 69.9 Ų | 69.9 | 70% | 0.701 | 39% | 0.389 | S | S | * | . | trans | -126.1 | 147.3 | 178.3 | -66.5 | -175.8 | 169.7 | 0 | 0 | 109.7 | A486 | A486-E500 HydrophobicContact CB-CB 4.26Å; A486-E500 HydrophobicContact CB-CG 4.1Å | ||
| 501 | R | 94.4 | Very high | 93.8 | Very high | 46 Ų | 46 | 63.5 Ų | 63.5 | 17% | 0.174 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -62 | 146 | 173.9 | -156.5 | -171.7 | 41.1 | -104.5 | 6 | 109.5 | A485 A486 I488 L495 T503 S505 | A485-R501 PolarHBondContact O-NH1 3.47Å; A486-R501 WeakPolarHBondContact O-CB 3.32Å; A486-R501 PolarHBondContact O-N 3.14Å; I488-R501 WeakPolarHBondContact O-CB 3.46Å; I488-R501 VanDerWaalsContact O-CD 3.31Å; I488-R501 WeakPolarHBondContact O-CD 3.2Å; I488-R501 PolarHBondContact O-NH1 3.4Å; L495-R501 HydrophobicContact CD1-CB 4.24Å; R501-T503 PolarHBondContact O-N 3.21Å; R501-S505 VanDerWaalsContact CD-OG 3.3Å; R501-S505 WeakPolarHBondContact CD-OG 3.35Å; R501-S505 WeakPolarHBondContact CG-OG 3.49Å; R501-S505 PolarHBondContact NE-O 3.21Å; R501-S505 PolarHBondContact NE-OG 2.92Å; R501-S505 PolarHBondContact NH2-O 2.9Å |
| 502 | E | 92.1 | Very high | 94 | Very high | 161 Ų | 161 | 59.1 Ų | 59.1 | 75% | 0.752 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 135.6 | -180 | -65.6 | -177.6 | 168.6 | 0 | 0 | 112 | G504 S505 | E502-G504 PolarHBondContact O-N 3.17Å; E502-S505 WeakPolarHBondContact O-CB 3.27Å; E502-S505 PolarHBondContact O-N 3.27Å; E502-S505 PolarHBondContact O-OG 2.68Å |
| 503 | T | 86.4 | Confident | 94.1 | Very high | 155 Ų | 155 | 59 Ų | 59 | 95% | 0.951 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 126.3 | -178.8 | -52.2 | 0 | 0 | 0 | 0 | 111.4 | R501 S505 | R501-T503 PolarHBondContact O-N 3.21Å; T503-S505 VanDerWaalsContact C-N 3.3Å |
| 504 | G | 84.4 | Confident | 94.1 | Very high | 74 Ų | 74 | 58.1 Ų | 58.1 | 76% | 0.763 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | -14.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E502 | E502-G504 PolarHBondContact O-N 3.17Š|
| 505 | S | 91.1 | Very high | 94.2 | Very high | 25 Ų | 25 | 52.6 Ų | 52.6 | 18% | 0.175 | 32% | 0.317 | C | S | . | . | trans | -75.5 | 147 | 172.1 | 72.2 | 0 | 0 | 0 | 0 | 111.5 | R501 E502 T503 | R501-S505 VanDerWaalsContact CD-OG 3.3Å; R501-S505 WeakPolarHBondContact CD-OG 3.35Å; R501-S505 WeakPolarHBondContact CG-OG 3.49Å; R501-S505 PolarHBondContact NE-O 3.21Å; R501-S505 PolarHBondContact NE-OG 2.92Å; R501-S505 PolarHBondContact NH2-O 2.9Å; E502-S505 WeakPolarHBondContact O-CB 3.27Å; E502-S505 PolarHBondContact O-N 3.27Å; E502-S505 PolarHBondContact O-OG 2.68Å; T503-S505 VanDerWaalsContact C-N 3.3Å | ||
| 506 | R | 93.4 | Very high | 94.3 | Very high | 33 Ų | 33 | 51.6 Ų | 51.6 | 13% | 0.125 | 31% | 0.312 | C | S | . | . | trans | -109.6 | 163.5 | -177 | -59.4 | -179.8 | -176 | -176.8 | 2.8 | 110.6 | P148 E149 K150 Y481 R490 | P148-R506 PolarHBondContact O-NH1 2.64Å; E149-R506 PolarHBondContact O-NH2 2.72Å; K150-R506 PolarHBondContact O-NH2 2.67Å; Y481-R506 HydrophobicContact CD2-CB 4.17Å; Y481-R506 HydrophobicContact CD2-CG 3.63Å; Y481-R506 VanDerWaalsContact CE1-CZ 3.49Å; Y481-R506 HydrophobicContact CE2-CG 3.89Å; Y481-R506 HydrophobicContact CG-CB 4.43Å; Y481-R506 HydrophobicContact CG-CG 4.18Å; Y481-R506 PolarHBondContact OH-NH2 2.97Å; R490-R506 WeakPolarHBondContact CG-O 3.35Å | ||
| 507 | V | 95.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | trans | -79.1 | 116.7 | 163.1 | -176.4 | 0 | 0 | 0 | 0 | 106.5 | T475 F484 I488 S489 R490 S509 A510 | T475-V507 PolarHBondContact OG1-O 3.03Å; F484-V507 HydrophobicContact CB-CB 4.21Å; F484-V507 HydrophobicContact CB-CG2 3.43Å; F484-V507 VanDerWaalsContact CB-CG2 3.43Å; F484-V507 HydrophobicContact CD1-CB 4.33Å; F484-V507 HydrophobicContact CD1-CG1 4.19Å; F484-V507 HydrophobicContact CD1-CG2 4.04Å; F484-V507 HydrophobicContact CD2-CB 3.89Å; F484-V507 HydrophobicContact CD2-CG1 4.32Å; F484-V507 HydrophobicContact CD2-CG2 4.08Å; F484-V507 HydrophobicContact CE1-CG1 4.25Å; F484-V507 HydrophobicContact CE2-CB 4.35Å; F484-V507 HydrophobicContact CE2-CG1 4.38Å; F484-V507 HydrophobicContact CG-CB 3.89Å; F484-V507 HydrophobicContact CG-CG1 4.23Å; F484-V507 HydrophobicContact CG-CG2 3.59Å; F484-V507 HydrophobicContact CZ-CG1 4.36Å; I488-V507 HydrophobicContact CB-CG2 4.32Å; I488-V507 HydrophobicContact CG2-CG2 3.92Å; S489-V507 WeakPolarHBondContact O-CG2 3.39Å; R490-V507 CarbonylContact O-C 3.56Å; V507-S509 VanDerWaalsContact CG1-O 3.23Å; V507-S509 WeakPolarHBondContact CG1-O 3.44Å; V507-A510 HydrophobicContact CG1-CB 4.39Å | ||
| 508 | D | 94.5 | Very high | 94.8 | Very high | 43 Ų | 43 | 39.9 Ų | 39.9 | 23% | 0.23 | 25% | 0.25 | C | C | . | . | trans | -85.8 | -34.8 | -177.6 | -63.9 | -48.6 | 0 | 0 | 0 | 111 | T475 R490 | T475-D508 PolarHBondContact N-O 2.94Å; T475-D508 PolarHBondContact OG1-O 2.88Å; R490-D508 IonicContact CZ-OD2 2.96Å; R490-D508 IonicContact NE-OD2 2.79Å; R490-D508 PolarHBondContact NE-OD2 3.16Å; R490-D508 IonicContact NH2-OD1 3.69Å; R490-D508 IonicContact NH2-OD2 3.79Å; R490-D508 PolarHBondContact NH2-OD2 2.89Å; R490-D508 PolarHBondContact O-N 2.96Å | ||
| 509 | S | 95.9 | Very high | 95 | Very high | 22 Ų | 22 | 36 Ų | 36 | 15% | 0.154 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 162.8 | 172.4 | 72.7 | 0 | 0 | 0 | 0 | 111.2 | P472 L473 T475 R490 D491 G492 V507 | P472-S509 WeakPolarHBondContact CG-OG 3.17Å; L473-S509 CarbonylContact O-C 3.57Å; L473-S509 WeakPolarHBondContact O-CA 3.25Å; L473-S509 VanDerWaalsContact O-CB 3.3Å; L473-S509 WeakPolarHBondContact O-CB 3.25Å; T475-S509 PolarHBondContact OG1-N 2.79Å; R490-S509 PolarHBondContact O-N 3.22Å; D491-S509 CarbonylContact C-O 3.57Å; D491-S509 WeakPolarHBondContact CA-O 3.41Å; G492-S509 WeakPolarHBondContact CA-O 3.28Å; G492-S509 PolarHBondContact N-O 3.13Å; V507-S509 VanDerWaalsContact CG1-O 3.23Å; V507-S509 WeakPolarHBondContact CG1-O 3.44Å |
| 510 | A | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 140.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L375 P376 L473 F484 V507 | L375-A510 HydrophobicContact CD1-CB 3.92Å; P376-A510 HydrophobicContact CB-CB 4.29Å; L473-A510 PolarHBondContact N-O 2.88Å; L473-A510 PolarHBondContact O-N 2.97Å; F484-A510 HydrophobicContact CE1-CB 4.01Å; F484-A510 HydrophobicContact CZ-CB 4.16Å; V507-A510 HydrophobicContact CG1-CB 4.39Å |
| 511 | P | 97.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | trans | -67.3 | 145 | 164.4 | 29.6 | -33.7 | 0 | 0 | 0 | 109.3 | P376 F377 R419 I421 D491 Y493 | P376-P511 CarbonylContact C-O 3.58Å; P376-P511 WeakPolarHBondContact CA-O 3.09Å; F377-P511 HydrophobicContact CB-CB 4.15Å; F377-P511 HydrophobicContact CB-CG 4.37Å; F377-P511 PolarHBondContact N-O 3.34Å; R419-P511 VanDerWaalsContact O-CA 3.25Å; R419-P511 WeakPolarHBondContact O-CA 3.29Å; I421-P511 HydrophobicContact CG1-CB 4.14Å; D491-P511 VanDerWaalsContact O-CD 3.27Å; D491-P511 WeakPolarHBondContact O-CD 3.48Å; Y493-P511 HydrophobicContact CD1-CG 4.39Å; Y493-P511 HydrophobicContact CE1-CG 4.12Å | ||
| 512 | M | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 160.8 | 177.6 | 65.3 | 173.6 | -71.3 | 0 | 0 | 112.5 | A336 T340 L373 A374 L375 R419 L473 A514 | A336-M512 HydrophobicContact CB-CE 4.36Å; A336-M512 HydrophobicContact CB-SD 4.42Å; A336-M512 VanDerWaalsContact O-CE 3.31Å; A336-M512 WeakPolarHBondContact O-CE 3.39Å; T340-M512 VanDerWaalsContact CB-CE 3.5Å; T340-M512 HydrophobicContact CG2-CE 3.93Å; T340-M512 HydrophobicContact CG2-CG 4.19Å; T340-M512 HydrophobicContact CG2-SD 4.34Å; T340-M512 WeakPolarHBondContact OG1-CE 3.19Å; T340-M512 PolarHBondContact OG1-SD 3.32Å; L373-M512 HydrophobicContact CD1-CE 3.29Å; A374-M512 WeakPolarHBondContact O-CA 3.43Å; A374-M512 VanDerWaalsContact O-CB 3.23Å; A374-M512 WeakPolarHBondContact O-CB 3.01Å; L375-M512 HydrophobicContact CB-CB 4.33Å; L375-M512 HydrophobicContact CD1-CB 3.86Å; L375-M512 HydrophobicContact CD1-SD 4.23Å; R419-M512 HydrophobicContact CG-CG 3.34Å; R419-M512 HydrophobicContact CG-SD 4.38Å; R419-M512 PolarHBondContact N-O 3.29Å; R419-M512 PolarHBondContact O-N 3.15Å; L473-M512 HydrophobicContact CB-CG 4.33Å; L473-M512 HydrophobicContact CB-SD 3.78Å; L473-M512 HydrophobicContact CD1-SD 4.01Å; L473-M512 HydrophobicContact CD2-SD 3.86Å; L473-M512 HydrophobicContact CG-SD 4.1Å; M512-A514 HydrophobicContact CE-CB 4.46Å |
| 513 | L | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131.5 | 174.6 | -165.7 | 70.1 | 0 | 0 | 0 | 108.7 | L373 A374 F377 L398 V416 A418 L451 | L373-L513 CarbonylContact C-O 3.53Å; L373-L513 WeakPolarHBondContact CA-O 3.3Å; A374-L513 HydrophobicContact CB-CB 4.18Å; A374-L513 PolarHBondContact N-O 3.05Å; A374-L513 PolarHBondContact O-N 3.18Å; F377-L513 HydrophobicContact CD2-CB 3.55Å; F377-L513 HydrophobicContact CD2-CD2 4.29Å; F377-L513 HydrophobicContact CD2-CG 4.45Å; F377-L513 HydrophobicContact CE2-CB 3.73Å; F377-L513 HydrophobicContact CE2-CD1 4.48Å; F377-L513 HydrophobicContact CE2-CD2 3.57Å; F377-L513 HydrophobicContact CE2-CG 4.13Å; F377-L513 HydrophobicContact CZ-CD2 4.35Å; L398-L513 HydrophobicContact CD2-CB 3.91Å; L398-L513 HydrophobicContact CD2-CD2 3.67Å; L398-L513 HydrophobicContact CD2-CG 3.84Å; L398-L513 HydrophobicContact CG-CD2 4.21Å; V416-L513 HydrophobicContact CG1-CD1 3.44Å; V416-L513 VanDerWaalsContact CG1-CD1 3.44Å; V416-L513 HydrophobicContact CG1-CD2 3.98Å; V416-L513 HydrophobicContact CG1-CG 3.79Å; A418-L513 HydrophobicContact CB-CD1 3.57Å; L451-L513 HydrophobicContact CD1-CD1 4.13Å |
| 514 | A | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 144 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | F337 T340 A341 G372 V416 T417 M512 | F337-A514 HydrophobicContact CD2-CB 3.93Å; F337-A514 HydrophobicContact CE2-CB 4.3Å; T340-A514 HydrophobicContact CG2-CB 3.75Å; A341-A514 HydrophobicContact CB-CB 4.2Å; G372-A514 CarbonylContact O-C 2.97Å; G372-A514 WeakPolarHBondContact O-CA 3.25Å; V416-A514 WeakPolarHBondContact CA-O 3.45Å; T417-A514 PolarHBondContact N-O 3.45Å; T417-A514 PolarHBondContact O-N 3.39Å; M512-A514 HydrophobicContact CE-CB 4.46Å |
| 515 | A | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 140.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F337 A371 G372 L398 S415 V416 Q517 | F337-A515 WeakPolarHBondContact CE2-O 3.26Å; A371-A515 CarbonylContact C-O 3.5Å; A371-A515 WeakPolarHBondContact CA-O 3.12Å; G372-A515 PolarHBondContact N-O 3.43Å; G372-A515 PolarHBondContact O-N 3.27Å; L398-A515 HydrophobicContact CD1-CB 3.43Å; L398-A515 VanDerWaalsContact CD1-CB 3.43Å; S415-A515 CarbonylContact O-C 3.44Å; S415-A515 WeakPolarHBondContact O-CA 3.27Å; V416-A515 HydrophobicContact CG2-CB 3.94Å; A515-Q517 HydrophobicContact CB-CG 3.82Å |
| 516 | V | 98.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 121.5 | 164.1 | -179.9 | 0 | 0 | 0 | 0 | 106.9 | M296 F337 A341 F357 V361 T369 A370 Q414 S415 | M296-V516 HydrophobicContact CE-CG1 4.19Å; M296-V516 HydrophobicContact SD-CG1 4.02Å; F337-V516 HydrophobicContact CZ-CG2 4Å; A341-V516 HydrophobicContact CB-CG2 4.13Å; F357-V516 HydrophobicContact CZ-CB 4.41Å; F357-V516 HydrophobicContact CZ-CG2 3.9Å; V361-V516 HydrophobicContact CG2-CG1 3.96Å; T369-V516 VanDerWaalsContact CB-CG1 3.49Å; T369-V516 HydrophobicContact CG2-CG1 3.82Å; T369-V516 WeakPolarHBondContact OG1-CG1 3.49Å; A370-V516 WeakPolarHBondContact O-CA 3.1Å; Q414-V516 CarbonylContact C-O 3.54Å; Q414-V516 WeakPolarHBondContact CA-O 3.38Å; Q414-V516 WeakPolarHBondContact CB-O 3.19Å; S415-V516 PolarHBondContact N-O 2.91Å; S415-V516 PolarHBondContact O-N 3.09Å |
| 517 | Q | 98 | Very high | 95.9 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 140.9 | -166.5 | -54.6 | -178.3 | -66.3 | 0 | 0 | 111 | T369 A370 P407 V412 V413 Q414 A515 | T369-Q517 CarbonylContact C-O 3.47Å; T369-Q517 WeakPolarHBondContact CA-O 3.38Å; T369-Q517 WeakPolarHBondContact CB-O 3.5Å; A370-Q517 PolarHBondContact N-O 3.28Å; A370-Q517 PolarHBondContact O-N 3.29Å; P407-Q517 HydrophobicContact CB-CB 4.11Å; P407-Q517 HydrophobicContact CG-CB 3.95Å; P407-Q517 HydrophobicContact CG-CG 4.45Å; V412-Q517 HydrophobicContact CG1-CB 4.27Å; V413-Q517 CarbonylContact O-C 3.57Å; Q414-Q517 HydrophobicContact CB-CB 4.26Å; Q414-Q517 HydrophobicContact CB-CG 3.86Å; A515-Q517 HydrophobicContact CB-CG 3.82Å |
| 518 | N | 96.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 135.7 | 177.3 | -162.4 | -44.6 | 0 | 0 | 0 | 109.8 | V361 R366 M368 T369 V412 V413 | V361-N518 WeakPolarHBondContact O-CB 3.01Å; V361-N518 PolarHBondContact O-ND2 3.47Å; R366-N518 WeakPolarHBondContact CB-ND2 3.14Å; R366-N518 VanDerWaalsContact CD-OD1 3.3Å; R366-N518 WeakPolarHBondContact CD-OD1 3.35Å; R366-N518 PolarHBondContact O-ND2 3.3Å; R366-N518 VanDerWaalsContact O-ND2 3.07Å; M368-N518 PolarHBondContact O-ND2 2.92Å; T369-N518 HydrophobicContact CG2-CB 4.11Å; V412-N518 CarbonylContact C-O 3.53Å; V412-N518 WeakPolarHBondContact CA-O 3.47Å; V413-N518 PolarHBondContact N-O 3.06Å; V413-N518 PolarHBondContact O-N 2.84Å |
| 519 | S | 94.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | trans | -158.5 | 164.6 | 175.8 | 68.5 | 0 | 0 | 0 | 0 | 109.4 | P407 K521 L522 Y568 | P407-S519 VanDerWaalsContact CA-OG 3.31Å; P407-S519 WeakPolarHBondContact CA-OG 3.47Å; P407-S519 WeakPolarHBondContact O-CB 3.22Å; P407-S519 PolarHBondContact O-OG 3.24Å; P407-S519 VanDerWaalsContact O-OG 3.1Å; S519-K521 PolarHBondContact O-N 3.35Å; S519-K521 PolarHBondContact OG-N 3.02Å; S519-L522 PolarHBondContact O-N 3.14Å; S519-L522 VanDerWaalsContact O-N 3.14Å; S519-Y568 WeakPolarHBondContact O-CD1 3.41Å | ||
| 520 | T | 93.2 | Very high | 95.5 | Very high | 34 Ų | 34 | 20 Ų | 20 | 21% | 0.209 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -26.1 | 172.9 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | L522 G523 Y568 D570 | T520-L522 PolarHBondContact O-N 3.45Å; T520-L522 VanDerWaalsContact O-N 3.15Å; T520-G523 PolarHBondContact O-N 2.84Å; T520-Y568 VanDerWaalsContact CA-O 3.28Å; T520-Y568 WeakPolarHBondContact CA-O 3.18Å; T520-Y568 WeakPolarHBondContact CB-O 3.34Å; T520-Y568 VanDerWaalsContact CG2-O 3.31Å; T520-Y568 WeakPolarHBondContact CG2-O 3.46Å; T520-D570 WeakPolarHBondContact CG2-O 3.38Å |
| 521 | K | 93.4 | Very high | 95.3 | Very high | 87 Ų | 87 | 22.2 Ų | 22.2 | 38% | 0.378 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -21.2 | 177.9 | -64.9 | -169 | 176.4 | -170.6 | 0 | 113.6 | E406 S519 G523 E524 | E406-K521 WeakPolarHBondContact O-CB 3.3Å; E406-K521 VanDerWaalsContact O-CD 3.26Å; E406-K521 WeakPolarHBondContact O-CD 3.09Å; S519-K521 PolarHBondContact O-N 3.35Å; S519-K521 PolarHBondContact OG-N 3.02Å; K521-G523 PolarHBondContact O-N 2.9Å; K521-E524 WeakPolarHBondContact O-CB 3.31Å; K521-E524 PolarHBondContact O-N 2.81Å; K521-E524 VanDerWaalsContact O-N 3.08Å |
| 522 | L | 94.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.2 | -20.2 | 174.5 | -57.4 | -172.1 | 0 | 0 | 0 | 112.4 | M368 A370 C405 S519 T520 E524 H525 L526 Y568 | M368-L522 WeakPolarHBondContact O-CD1 3.48Å; A370-L522 HydrophobicContact CB-CD1 4.39Å; A370-L522 HydrophobicContact CB-CD2 3.73Å; C405-L522 HydrophobicContact CB-CD2 4.1Å; S519-L522 PolarHBondContact O-N 3.14Å; S519-L522 VanDerWaalsContact O-N 3.14Å; T520-L522 PolarHBondContact O-N 3.45Å; T520-L522 VanDerWaalsContact O-N 3.15Å; L522-E524 PolarHBondContact O-N 3.01Å; L522-H525 WeakPolarHBondContact O-CB 3.37Å; L522-H525 PolarHBondContact O-N 3.41Å; L522-H525 VanDerWaalsContact O-N 3.11Å; L522-L526 PolarHBondContact O-N 3.33Å; L522-Y568 HydrophobicContact CB-CD1 3.91Å; L522-Y568 HydrophobicContact CB-CE1 3.9Å; L522-Y568 HydrophobicContact CD1-CE1 4.36Å |
| 523 | G | 94.2 | Very high | 94.5 | Very high | 4 Ų | 4 | 25.8 Ų | 25.8 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59 | -31.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T520 K521 H525 L526 D527 | T520-G523 PolarHBondContact O-N 2.84Å; K521-G523 PolarHBondContact O-N 2.9Å; G523-H525 VanDerWaalsContact C-N 3.25Å; G523-H525 PolarHBondContact O-N 3.49Å; G523-L526 PolarHBondContact O-N 2.89Å; G523-L526 VanDerWaalsContact O-N 3.15Å; G523-D527 PolarHBondContact O-N 2.95Å |
| 524 | E | 93 | Very high | 94.2 | Very high | 123 Ų | 123 | 28.7 Ų | 28.7 | 58% | 0.575 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -64.1 | -32.1 | 176.7 | -62 | -178.3 | -173 | 0 | 0 | 111.9 | K521 L522 N528 | K521-E524 WeakPolarHBondContact O-CB 3.31Å; K521-E524 PolarHBondContact O-N 2.81Å; K521-E524 VanDerWaalsContact O-N 3.08Å; L522-E524 PolarHBondContact O-N 3.01Å; E524-N528 WeakPolarHBondContact O-CB 3.49Å; E524-N528 VanDerWaalsContact O-CG 3.26Å; E524-N528 PolarHBondContact O-N 3.24Å; E524-N528 PolarHBondContact O-ND2 2.78Å |
| 525 | H | 94 | Very high | 93.8 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.8 | -43.8 | 174.4 | 177.9 | 79.7 | 0 | 0 | 0 | 111.2 | Y287 W307 M368 P403 C405 L522 G523 N528 V529 | Y287-H525 AromaticContact CE1-CD2 3.83Å; Y287-H525 AromaticContact CE1-NE2 3.59Å; Y287-H525 AromaticContact CZ-NE2 3.4Å; Y287-H525 PolarHBondContact OH-NE2 3.02Å; W307-H525 AromaticContact CZ2-CE1 3.51Å; W307-H525 AromaticContact CZ2-ND1 3.9Å; M368-H525 HydrophobicContact CE-CB 4.13Å; M368-H525 WeakPolarHBondContact CE-CD2 3.26Å; P403-H525 PolarHBondContact O-CE1 3.24Å; P403-H525 PolarHBondContact O-ND1 3.31Å; P403-H525 VanDerWaalsContact O-ND1 3.12Å; C405-H525 VanDerWaalsContact SG-CB 3.5Å; C405-H525 VanDerWaalsContact SG-CG 3.6Å; L522-H525 WeakPolarHBondContact O-CB 3.37Å; L522-H525 PolarHBondContact O-N 3.41Å; L522-H525 VanDerWaalsContact O-N 3.11Å; G523-H525 VanDerWaalsContact C-N 3.25Å; G523-H525 PolarHBondContact O-N 3.49Å; H525-N528 CarbonylContact O-C 3.59Å; H525-N528 WeakPolarHBondContact O-CB 3.49Å; H525-N528 PolarHBondContact O-N 3.09Å; H525-N528 VanDerWaalsContact O-N 3.13Å; H525-V529 WeakPolarHBondContact O-CG2 3.42Å; H525-V529 PolarHBondContact O-N 3.01Å |
| 526 | L | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.1 | -40.7 | 177.1 | -59.1 | 171.9 | 0 | 0 | 0 | 111.3 | Y287 M368 L522 G523 N528 V529 H530 L561 F564 R565 Y568 | Y287-L526 HydrophobicContact CD1-CD2 3.75Å; Y287-L526 HydrophobicContact CE1-CD2 4.15Å; M368-L526 HydrophobicContact SD-CD2 3.92Å; M368-L526 HydrophobicContact SD-CG 4.25Å; L522-L526 PolarHBondContact O-N 3.33Å; G523-L526 PolarHBondContact O-N 2.89Å; G523-L526 VanDerWaalsContact O-N 3.15Å; L526-N528 VanDerWaalsContact C-N 3.28Å; L526-N528 PolarHBondContact O-N 3.24Å; L526-V529 WeakPolarHBondContact O-CB 3.42Å; L526-V529 PolarHBondContact O-N 3.33Å; L526-H530 PolarHBondContact O-N 3.28Å; L526-L561 HydrophobicContact CB-CD1 4.49Å; L526-L561 HydrophobicContact CD2-CD1 3.76Å; L526-F564 HydrophobicContact CD1-CD1 3.67Å; L526-F564 HydrophobicContact CD1-CE1 3.85Å; L526-F564 HydrophobicContact CD2-CD1 4.13Å; L526-F564 HydrophobicContact CD2-CE1 4.23Å; L526-R565 HydrophobicContact CB-CB 3.82Å; L526-R565 HydrophobicContact CB-CG 3.88Å; L526-R565 HydrophobicContact CD1-CB 3.93Å; L526-R565 HydrophobicContact CD1-CG 4.34Å; L526-Y568 HydrophobicContact CD1-CD2 3.84Å; L526-Y568 HydrophobicContact CD1-CE2 3.95Å |
| 527 | D | 93.3 | Very high | 93.1 | Very high | 59 Ų | 59 | 44.2 Ų | 44.2 | 32% | 0.316 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.1 | -40.4 | 170.9 | -81.6 | -35.5 | 0 | 0 | 0 | 111.7 | G523 H530 A531 R565 | G523-D527 PolarHBondContact O-N 2.95Å; D527-H530 PolarHBondContact O-N 2.64Å; D527-A531 WeakPolarHBondContact O-CB 3.41Å; D527-A531 PolarHBondContact O-N 3.48Å; D527-R565 IonicContact OD1-CZ 3.11Å; D527-R565 VanDerWaalsContact OD1-CZ 3.26Å; D527-R565 IonicContact OD1-NE 2.69Å; D527-R565 PolarHBondContact OD1-NE 3.09Å; D527-R565 IonicContact OD1-NH2 3.57Å; D527-R565 PolarHBondContact OD1-NH2 3.4Å; D527-R565 IonicContact OD2-NE 3.62Å; D527-R565 PolarHBondContact OD2-NE 3.16Å; D527-R565 IonicContact OD2-NH2 2.7Å |
| 528 | N | 92.1 | Very high | 92.7 | Very high | 64 Ų | 64 | 44.8 Ų | 44.8 | 34% | 0.342 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.1 | -43.1 | 175.9 | -77.9 | -51.3 | 0 | 0 | 0 | 111.9 | E524 H525 L526 H530 A531 Q532 | E524-N528 WeakPolarHBondContact O-CB 3.49Å; E524-N528 VanDerWaalsContact O-CG 3.26Å; E524-N528 PolarHBondContact O-N 3.24Å; E524-N528 PolarHBondContact O-ND2 2.78Å; H525-N528 CarbonylContact O-C 3.59Å; H525-N528 WeakPolarHBondContact O-CB 3.49Å; H525-N528 PolarHBondContact O-N 3.09Å; H525-N528 VanDerWaalsContact O-N 3.13Å; L526-N528 VanDerWaalsContact C-N 3.28Å; L526-N528 PolarHBondContact O-N 3.24Å; N528-H530 VanDerWaalsContact C-N 3.3Å; N528-H530 PolarHBondContact O-N 2.81Å; N528-A531 PolarHBondContact O-N 3.48Å; N528-Q532 VanDerWaalsContact O-CG 3.26Å; N528-Q532 WeakPolarHBondContact O-CG 3.34Å; N528-Q532 PolarHBondContact O-N 2.83Å |
| 529 | V | 92.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -53.8 | -51.1 | 173.9 | -180 | 0 | 0 | 0 | 0 | 109.1 | V284 W307 H525 L526 S533 L561 | V284-V529 HydrophobicContact CG2-CG1 3.96Å; W307-V529 HydrophobicContact CH2-CB 3.85Å; W307-V529 HydrophobicContact CH2-CG1 4.15Å; W307-V529 HydrophobicContact CH2-CG2 3.3Å; W307-V529 HydrophobicContact CZ2-CB 4.22Å; W307-V529 HydrophobicContact CZ2-CG2 3.46Å; W307-V529 VanDerWaalsContact CZ2-CG2 3.46Å; W307-V529 HydrophobicContact CZ3-CG2 4.41Å; H525-V529 WeakPolarHBondContact O-CG2 3.42Å; H525-V529 PolarHBondContact O-N 3.01Å; L526-V529 WeakPolarHBondContact O-CB 3.42Å; L526-V529 PolarHBondContact O-N 3.33Å; V529-S533 WeakPolarHBondContact O-CB 3.47Å; V529-S533 PolarHBondContact O-N 3.38Å; V529-S533 PolarHBondContact O-OG 3.29Å; V529-L561 HydrophobicContact CB-CD2 3.9Å; V529-L561 HydrophobicContact CG1-CD2 3.56Å |
| 530 | H | 94.4 | Very high | 92.2 | Very high | 41 Ų | 41 | 55.6 Ų | 55.6 | 19% | 0.19 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 178.4 | 178.9 | -89.3 | 0 | 0 | 0 | 112.3 | L526 D527 N528 Q532 S533 H534 L561 L562 | L526-H530 PolarHBondContact O-N 3.28Å; D527-H530 PolarHBondContact O-N 2.64Å; N528-H530 VanDerWaalsContact C-N 3.3Å; N528-H530 PolarHBondContact O-N 2.81Å; H530-Q532 VanDerWaalsContact C-N 3.31Å; H530-Q532 PolarHBondContact O-N 3.14Å; H530-S533 WeakPolarHBondContact CA-OG 3.36Å; H530-S533 PolarHBondContact O-N 3.22Å; H530-S533 VanDerWaalsContact O-N 3.08Å; H530-S533 PolarHBondContact O-OG 2.78Å; H530-S533 VanDerWaalsContact O-OG 3.11Å; H530-H534 WeakPolarHBondContact O-CB 3.46Å; H530-H534 PolarHBondContact O-N 2.88Å; H530-H534 PolarHBondContact O-ND1 3.28Å; H530-L561 HydrophobicContact CB-CD2 4.11Å; H530-L562 HydrophobicContact CB-CD2 4.1Å |
| 531 | A | 92.3 | Very high | 92.1 | Very high | 48 Ų | 48 | 54.2 Ų | 54.2 | 40% | 0.397 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.2 | -37.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D527 N528 S533 H534 | D527-A531 WeakPolarHBondContact O-CB 3.41Å; D527-A531 PolarHBondContact O-N 3.48Å; N528-A531 PolarHBondContact O-N 3.48Å; A531-S533 VanDerWaalsContact C-N 3.33Å; A531-H534 PolarHBondContact O-CE1 3.16Å; A531-H534 PolarHBondContact O-ND1 3.17Å; A531-H534 VanDerWaalsContact O-ND1 3.09Å |
| 532 | Q | 88.8 | Confident | 91.9 | Very high | 75 Ų | 75 | 55.2 Ų | 55.2 | 35% | 0.35 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -76.3 | -20.1 | 177.5 | -62.5 | -53 | -51.7 | 0 | 0 | 113.4 | V280 W307 N528 H530 | V280-Q532 HydrophobicContact CG1-CB 4.35Å; W307-Q532 HydrophobicContact CB-CG 3.89Å; W307-Q532 HydrophobicContact CD2-CG 3.98Å; W307-Q532 HydrophobicContact CE3-CB 4.17Å; W307-Q532 HydrophobicContact CE3-CG 3.97Å; W307-Q532 HydrophobicContact CG-CG 3.93Å; N528-Q532 VanDerWaalsContact O-CG 3.26Å; N528-Q532 WeakPolarHBondContact O-CG 3.34Å; N528-Q532 PolarHBondContact O-N 2.83Å; H530-Q532 VanDerWaalsContact C-N 3.31Å; H530-Q532 PolarHBondContact O-N 3.14Å |
| 533 | S | 91.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -110.2 | -33 | -165.5 | 66.4 | 0 | 0 | 0 | 0 | 114.1 | V284 V529 H530 A531 R535 V536 Y554 L558 | V284-S533 VanDerWaalsContact CG2-OG 3.28Å; V284-S533 WeakPolarHBondContact CG2-OG 3.38Å; V529-S533 WeakPolarHBondContact O-CB 3.47Å; V529-S533 PolarHBondContact O-N 3.38Å; V529-S533 PolarHBondContact O-OG 3.29Å; H530-S533 WeakPolarHBondContact CA-OG 3.36Å; H530-S533 PolarHBondContact O-N 3.22Å; H530-S533 VanDerWaalsContact O-N 3.08Å; H530-S533 PolarHBondContact O-OG 2.78Å; H530-S533 VanDerWaalsContact O-OG 3.11Å; A531-S533 VanDerWaalsContact C-N 3.33Å; S533-R535 PolarHBondContact O-N 2.92Å; S533-V536 VanDerWaalsContact O-CB 3.29Å; S533-V536 WeakPolarHBondContact O-CB 3.15Å; S533-V536 VanDerWaalsContact O-CG2 3.22Å; S533-V536 WeakPolarHBondContact O-CG2 3.49Å; S533-V536 PolarHBondContact O-N 2.79Å; S533-Y554 VanDerWaalsContact CB-OH 3.29Å; S533-Y554 WeakPolarHBondContact CB-OH 3.11Å; S533-Y554 PolarHBondContact O-OH 2.93Å; S533-Y554 VanDerWaalsContact O-OH 3.08Å; S533-L558 VanDerWaalsContact OG-CD2 3.22Å; S533-L558 WeakPolarHBondContact OG-CD2 3.31Å |
| 534 | H | 90.9 | Very high | 91.2 | Very high | 61 Ų | 61 | 56.6 Ų | 56.6 | 28% | 0.282 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -28.8 | -172.2 | 75.5 | -75.1 | 0 | 0 | 0 | 115.1 | H530 A531 R551 L558 | H530-H534 WeakPolarHBondContact O-CB 3.46Å; H530-H534 PolarHBondContact O-N 2.88Å; H530-H534 PolarHBondContact O-ND1 3.28Å; A531-H534 PolarHBondContact O-CE1 3.16Å; A531-H534 PolarHBondContact O-ND1 3.17Å; A531-H534 VanDerWaalsContact O-ND1 3.09Å; H534-R551 PolarHBondContact O-NH2 3.29Å; H534-L558 HydrophobicContact CB-CD1 4.28Å |
| 535 | R | 90.4 | Very high | 90.8 | Very high | 201 Ų | 201 | 53.8 Ų | 53.8 | 76% | 0.758 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 1.5 | -179.6 | -55.2 | -173.8 | -178.9 | 174 | -1 | 114.3 | S533 Q537 | S533-R535 PolarHBondContact O-N 2.92Å; R535-Q537 PolarHBondContact O-N 3.41Å |
| 536 | V | 91.5 | Very high | 90.3 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | trans | -62.5 | 127 | 179.5 | 173.2 | 0 | 0 | 0 | 0 | 109.2 | V281 S533 L538 L541 R551 | V281-V536 HydrophobicContact CG2-CB 4.31Å; V281-V536 HydrophobicContact CG2-CG1 3.7Å; S533-V536 VanDerWaalsContact O-CB 3.29Å; S533-V536 WeakPolarHBondContact O-CB 3.15Å; S533-V536 VanDerWaalsContact O-CG2 3.22Å; S533-V536 WeakPolarHBondContact O-CG2 3.49Å; S533-V536 PolarHBondContact O-N 2.79Å; V536-L538 HydrophobicContact CG1-CD2 4.29Å; V536-L538 PolarHBondContact O-N 2.7Å; V536-L541 HydrophobicContact CG1-CD1 3.72Å; V536-L541 HydrophobicContact CG1-CG 4.46Å; V536-R551 PolarHBondContact O-NH1 3.27Å | ||
| 537 | Q | 90.9 | Very high | 89.8 | Confident | 114 Ų | 114 | 60.4 Ų | 60.4 | 53% | 0.533 | 32% | 0.319 | S | S | . | . | trans | -88.3 | 89.6 | 178.3 | -66 | 179.5 | 7.7 | 0 | 0 | 109 | R535 A539 K540 | R535-Q537 PolarHBondContact O-N 3.41Å; Q537-A539 PolarHBondContact O-N 3.25Å; Q537-K540 HydrophobicContact CB-CB 4.48Å; Q537-K540 HydrophobicContact CB-CD 4.16Å; Q537-K540 HydrophobicContact CB-CG 4.21Å; Q537-K540 WeakPolarHBondContact O-CB 3.48Å; Q537-K540 PolarHBondContact O-N 2.97Å; Q537-K540 VanDerWaalsContact OE1-CD 3.25Å | ||
| 538 | L | 90.6 | Very high | 89.2 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -53.8 | -37.9 | -176.6 | -66.1 | 178.6 | 0 | 0 | 0 | 113.2 | V281 V536 K540 L541 L549 Y554 | V281-L538 HydrophobicContact CG1-CD2 4.15Å; V281-L538 HydrophobicContact CG2-CD2 3.83Å; V536-L538 HydrophobicContact CG1-CD2 4.29Å; V536-L538 PolarHBondContact O-N 2.7Å; L538-K540 PolarHBondContact O-N 3.42Å; L538-L541 HydrophobicContact CD2-CD1 4.27Å; L538-L541 WeakPolarHBondContact O-CB 3.44Å; L538-L541 PolarHBondContact O-N 3.17Å; L538-L549 HydrophobicContact CD1-CD2 4.41Å; L538-L549 HydrophobicContact CD2-CD2 4.32Å; L538-Y554 HydrophobicContact CD1-CD1 3.68Å; L538-Y554 HydrophobicContact CD1-CG 3.63Å; L538-Y554 HydrophobicContact CD2-CD1 4.19Å; L538-Y554 HydrophobicContact CD2-CE1 4.37Å; L538-Y554 HydrophobicContact CD2-CG 4.23Å; L538-Y554 HydrophobicContact CG-CD1 4.05Å; L538-Y554 HydrophobicContact CG-CG 4.32Å |
| 539 | A | 88.9 | Confident | 89.2 | Confident | 95 Ų | 95 | 57.8 Ų | 57.8 | 79% | 0.785 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -60.8 | -14.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q537 | Q537-A539 PolarHBondContact O-N 3.25Š|
| 540 | K | 90.7 | Very high | 89.1 | Confident | 135 Ų | 135 | 63.6 Ų | 63.6 | 59% | 0.587 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -91.6 | -13 | 172.9 | -68.3 | -174.1 | 171.5 | 167 | 0 | 113.2 | Q537 L538 Q542 | Q537-K540 HydrophobicContact CB-CB 4.48Å; Q537-K540 HydrophobicContact CB-CD 4.16Å; Q537-K540 HydrophobicContact CB-CG 4.21Å; Q537-K540 WeakPolarHBondContact O-CB 3.48Å; Q537-K540 PolarHBondContact O-N 2.97Å; Q537-K540 VanDerWaalsContact OE1-CD 3.25Å; L538-K540 PolarHBondContact O-N 3.42Å; K540-Q542 PolarHBondContact O-N 3.17Å |
| 541 | L | 91.8 | Very high | 89 | Confident | 5 Ų | 5 | 66.1 Ų | 66.1 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | trans | -91.3 | 89.8 | 179.9 | -52.7 | -172.9 | 0 | 0 | 0 | 108.3 | L274 I278 V281 V536 L538 A543 Y544 S545 | L274-L541 HydrophobicContact CD2-CD2 3.85Å; I278-L541 HydrophobicContact CG1-CD1 4.32Å; I278-L541 HydrophobicContact CG1-CD2 4.3Å; V281-L541 HydrophobicContact CG2-CD1 3.99Å; V536-L541 HydrophobicContact CG1-CD1 3.72Å; V536-L541 HydrophobicContact CG1-CG 4.46Å; L538-L541 HydrophobicContact CD2-CD1 4.27Å; L538-L541 WeakPolarHBondContact O-CB 3.44Å; L538-L541 PolarHBondContact O-N 3.17Å; L541-A543 PolarHBondContact O-N 3.21Å; L541-Y544 HydrophobicContact CB-CD2 4.24Å; L541-Y544 HydrophobicContact CD1-CD2 3.96Å; L541-Y544 PolarHBondContact O-N 3.35Å; L541-S545 PolarHBondContact O-N 2.73Å; L541-S545 PolarHBondContact O-OG 3.2Å; L541-S545 VanDerWaalsContact O-OG 3.12Å | ||
| 542 | Q | 88.6 | Confident | 89.1 | Confident | 108 Ų | 108 | 69.4 Ų | 69.4 | 51% | 0.505 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -55.1 | -38.4 | -178.6 | -174.6 | 174.6 | 0.2 | 0 | 0 | 112.2 | K540 Y544 S545 N546 | K540-Q542 PolarHBondContact O-N 3.17Å; Q542-Y544 VanDerWaalsContact C-N 3.26Å; Q542-Y544 PolarHBondContact O-N 3.3Å; Q542-S545 PolarHBondContact O-N 3.1Å; Q542-N546 VanDerWaalsContact O-CG 3.23Å; Q542-N546 PolarHBondContact O-N 3.37Å; Q542-N546 PolarHBondContact O-OD1 3.15Å |
| 543 | A | 87.3 | Confident | 89.3 | Confident | 32 Ų | 32 | 71 Ų | 71 | 26% | 0.264 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.1 | -38.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T191 I278 L541 | T191-A543 HydrophobicContact CG2-CB 3.56Å; I278-A543 HydrophobicContact CD1-CB 4.19Å; L541-A543 PolarHBondContact O-N 3.21Å |
| 544 | Y | 88.8 | Confident | 89.5 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.008 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -83.6 | -30.2 | 176.6 | -86.9 | -68.9 | 0 | 0 | 0 | 113.6 | T191 I278 V281 N282 L285 L541 Q542 N546 S547 G548 L549 | T191-Y544 HydrophobicContact CG2-CD1 4.35Å; T191-Y544 HydrophobicContact CG2-CD2 3.99Å; T191-Y544 HydrophobicContact CG2-CE1 4.32Å; T191-Y544 HydrophobicContact CG2-CE2 3.91Å; T191-Y544 HydrophobicContact CG2-CG 4.23Å; I278-Y544 HydrophobicContact CG2-CE2 4.06Å; V281-Y544 HydrophobicContact CB-CD2 4.46Å; V281-Y544 HydrophobicContact CB-CE2 3.67Å; V281-Y544 HydrophobicContact CG1-CD2 4.18Å; V281-Y544 HydrophobicContact CG1-CE1 3.93Å; V281-Y544 HydrophobicContact CG1-CE2 3.51Å; V281-Y544 WeakPolarHBondContact CG1-OH 3.47Å; V281-Y544 HydrophobicContact CG2-CE2 4.49Å; N282-Y544 PolarHBondContact N-OH 2.97Å; N282-Y544 PolarHBondContact OD1-OH 2.71Å; L285-Y544 HydrophobicContact CD1-CE1 4.06Å; L541-Y544 HydrophobicContact CB-CD2 4.24Å; L541-Y544 HydrophobicContact CD1-CD2 3.96Å; L541-Y544 PolarHBondContact O-N 3.35Å; Q542-Y544 VanDerWaalsContact C-N 3.26Å; Q542-Y544 PolarHBondContact O-N 3.3Å; Y544-N546 PolarHBondContact O-N 3.28Å; Y544-S547 WeakPolarHBondContact CA-OG 3.46Å; Y544-S547 PolarHBondContact O-N 2.76Å; Y544-S547 PolarHBondContact O-OG 2.83Å; Y544-S547 VanDerWaalsContact O-OG 3.12Å; Y544-G548 PolarHBondContact O-N 3.47Å; Y544-L549 HydrophobicContact CD1-CB 3.76Å; Y544-L549 HydrophobicContact CD1-CD2 3.35Å; Y544-L549 HydrophobicContact CD1-CG 4.18Å; Y544-L549 HydrophobicContact CE1-CB 4.49Å; Y544-L549 HydrophobicContact CE1-CD2 3.54Å; Y544-L549 HydrophobicContact CG-CD2 4.04Å; Y544-L549 PolarHBondContact O-N 3.1Å |
| 545 | S | 84.2 | Confident | 89.8 | Confident | 64 Ų | 64 | 70.5 Ų | 70.5 | 45% | 0.448 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.5 | -32.3 | 174 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | L541 Q542 | L541-S545 PolarHBondContact O-N 2.73Å; L541-S545 PolarHBondContact O-OG 3.2Å; L541-S545 VanDerWaalsContact O-OG 3.12Å; Q542-S545 PolarHBondContact O-N 3.1Å |
| 546 | N | 83.5 | Confident | 90.1 | Very high | 121 Ų | 121 | 64.6 Ų | 64.6 | 65% | 0.647 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -74.6 | -31.7 | 177.4 | -67.6 | -13.1 | 0 | 0 | 0 | 112.9 | Q542 Y544 G548 | Q542-N546 VanDerWaalsContact O-CG 3.23Å; Q542-N546 PolarHBondContact O-N 3.37Å; Q542-N546 PolarHBondContact O-OD1 3.15Å; Y544-N546 PolarHBondContact O-N 3.28Å; N546-G548 VanDerWaalsContact C-N 3.28Å |
| 547 | S | 82.4 | Confident | 90.4 | Very high | 18 Ų | 18 | 64 Ų | 64 | 13% | 0.126 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 12.3 | 179.2 | 66.5 | 0 | 0 | 0 | 0 | 113.4 | S193 E197 Y544 L549 | S193-S547 WeakPolarHBondContact CB-OG 3.31Å; E197-S547 VanDerWaalsContact OE1-CA 3.26Å; E197-S547 WeakPolarHBondContact OE1-CA 3.07Å; E197-S547 VanDerWaalsContact OE1-CB 3.27Å; E197-S547 WeakPolarHBondContact OE1-CB 3.46Å; Y544-S547 WeakPolarHBondContact CA-OG 3.46Å; Y544-S547 PolarHBondContact O-N 2.76Å; Y544-S547 PolarHBondContact O-OG 2.83Å; Y544-S547 VanDerWaalsContact O-OG 3.12Å; S547-L549 VanDerWaalsContact C-N 3.28Å; S547-L549 PolarHBondContact O-N 3.26Å; S547-L549 VanDerWaalsContact O-N 3.14Å |
| 548 | G | 82.1 | Confident | 90.7 | Very high | 49 Ų | 49 | 58.9 Ų | 58.9 | 51% | 0.505 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 12.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | Y544 N546 E550 | Y544-G548 PolarHBondContact O-N 3.47Å; N546-G548 VanDerWaalsContact C-N 3.28Å; G548-E550 PolarHBondContact O-N 2.72Å |
| 549 | L | 90.8 | Very high | 91 | Very high | 19 Ų | 19 | 62.7 Ų | 62.7 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | trans | -64.5 | 112.4 | 179 | 179.7 | 71.8 | 0 | 0 | 0 | 109.9 | V281 L285 L538 Y544 S547 E553 | V281-L549 HydrophobicContact CG1-CD2 3.98Å; L285-L549 HydrophobicContact CD1-CD1 4.41Å; L285-L549 HydrophobicContact CD1-CD2 4.09Å; L538-L549 HydrophobicContact CD1-CD2 4.41Å; L538-L549 HydrophobicContact CD2-CD2 4.32Å; Y544-L549 HydrophobicContact CD1-CB 3.76Å; Y544-L549 HydrophobicContact CD1-CD2 3.35Å; Y544-L549 HydrophobicContact CD1-CG 4.18Å; Y544-L549 HydrophobicContact CE1-CB 4.49Å; Y544-L549 HydrophobicContact CE1-CD2 3.54Å; Y544-L549 HydrophobicContact CG-CD2 4.04Å; Y544-L549 PolarHBondContact O-N 3.1Å; S547-L549 VanDerWaalsContact C-N 3.28Å; S547-L549 PolarHBondContact O-N 3.26Å; S547-L549 VanDerWaalsContact O-N 3.14Å; L549-E553 HydrophobicContact CD1-CB 4.13Å | ||
| 550 | E | 90.9 | Very high | 91.4 | Very high | 123 Ų | 123 | 60.6 Ų | 60.6 | 58% | 0.575 | 32% | 0.323 | S | S | * | . | trans | -81.9 | 156.7 | 179.6 | -61.8 | -165.9 | 167.6 | 0 | 0 | 111.8 | G548 D552 E553 Y554 | G548-E550 PolarHBondContact O-N 2.72Å; E550-D552 VanDerWaalsContact C-N 3.29Å; E550-D552 PolarHBondContact O-N 2.99Å; E550-E553 HydrophobicContact CB-CG 4.32Å; E550-E553 PolarHBondContact O-N 3.07Å; E550-Y554 PolarHBondContact O-N 3.27Å | ||
| 551 | R | 92 | Very high | 91.6 | Very high | 94 Ų | 94 | 54.2 Ų | 54.2 | 36% | 0.355 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 178.6 | 179 | 57.9 | -172.4 | -165.4 | 6.6 | 111.7 | H534 V536 E553 Y554 D555 | H534-R551 PolarHBondContact O-NH2 3.29Å; V536-R551 PolarHBondContact O-NH1 3.27Å; R551-E553 VanDerWaalsContact C-N 3.33Å; R551-E553 PolarHBondContact O-N 3.02Å; R551-Y554 PolarHBondContact O-N 2.8Å; R551-D555 WeakPolarHBondContact CG-OD2 3.23Å; R551-D555 IonicContact CZ-OD1 3.6Å; R551-D555 IonicContact CZ-OD2 2.84Å; R551-D555 IonicContact NE-OD1 2.76Å; R551-D555 PolarHBondContact NE-OD1 2.73Å; R551-D555 IonicContact NE-OD2 3.86Å; R551-D555 PolarHBondContact NE-OD2 2.98Å; R551-D555 IonicContact NH2-OD1 2.85Å; R551-D555 PolarHBondContact NH2-OD1 2.81Å; R551-D555 IonicContact NH2-OD2 3.45Å; R551-D555 PolarHBondContact O-N 2.88Å |
| 552 | D | 94.4 | Very high | 91.8 | Very high | 116 Ų | 116 | 56.1 Ų | 56.1 | 62% | 0.62 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.3 | -37.6 | -178.4 | -67.1 | 0.5 | 0 | 0 | 0 | 111.5 | E550 T556 | E550-D552 VanDerWaalsContact C-N 3.29Å; E550-D552 PolarHBondContact O-N 2.99Å; D552-T556 WeakPolarHBondContact O-CB 3.48Å; D552-T556 PolarHBondContact O-N 3.06Å; D552-T556 PolarHBondContact O-OG1 3.1Å |
| 553 | E | 93.2 | Very high | 92.2 | Very high | 109 Ų | 109 | 56.3 Ų | 56.3 | 51% | 0.509 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 174 | -65.5 | -177.9 | 170.6 | 0 | 0 | 111.7 | L549 E550 R551 T556 A557 | L549-E553 HydrophobicContact CD1-CB 4.13Å; E550-E553 HydrophobicContact CB-CG 4.32Å; E550-E553 PolarHBondContact O-N 3.07Å; R551-E553 VanDerWaalsContact C-N 3.33Å; R551-E553 PolarHBondContact O-N 3.02Å; E553-T556 WeakPolarHBondContact O-CB 3.47Å; E553-T556 PolarHBondContact O-N 3.01Å; E553-A557 PolarHBondContact O-N 2.95Å |
| 554 | Y | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.3 | -40.8 | 177.9 | -177.6 | -115.3 | 0 | 0 | 0 | 112.9 | V281 V284 S533 L538 E550 R551 T556 A557 L558 | V281-Y554 HydrophobicContact CB-CE2 4.22Å; V281-Y554 HydrophobicContact CG1-CD2 4.02Å; V281-Y554 HydrophobicContact CG1-CE2 3.76Å; V281-Y554 HydrophobicContact CG2-CE2 4.01Å; V284-Y554 HydrophobicContact CB-CE2 3.95Å; V284-Y554 HydrophobicContact CG1-CD2 4.41Å; V284-Y554 HydrophobicContact CG1-CE2 3.86Å; V284-Y554 HydrophobicContact CG2-CE2 4.27Å; S533-Y554 VanDerWaalsContact CB-OH 3.29Å; S533-Y554 WeakPolarHBondContact CB-OH 3.11Å; S533-Y554 PolarHBondContact O-OH 2.93Å; S533-Y554 VanDerWaalsContact O-OH 3.08Å; L538-Y554 HydrophobicContact CD1-CD1 3.68Å; L538-Y554 HydrophobicContact CD1-CG 3.63Å; L538-Y554 HydrophobicContact CD2-CD1 4.19Å; L538-Y554 HydrophobicContact CD2-CE1 4.37Å; L538-Y554 HydrophobicContact CD2-CG 4.23Å; L538-Y554 HydrophobicContact CG-CD1 4.05Å; L538-Y554 HydrophobicContact CG-CG 4.32Å; E550-Y554 PolarHBondContact O-N 3.27Å; R551-Y554 PolarHBondContact O-N 2.8Å; Y554-T556 VanDerWaalsContact C-N 3.3Å; Y554-A557 WeakPolarHBondContact O-CB 3.04Å; Y554-A557 PolarHBondContact O-N 2.87Å; Y554-L558 HydrophobicContact CD1-CD1 3.91Å; Y554-L558 HydrophobicContact CE1-CD1 3.62Å; Y554-L558 HydrophobicContact CE1-CG 4.23Å; Y554-L558 WeakPolarHBondContact O-CG 3.47Å; Y554-L558 PolarHBondContact O-N 3.16Å |
| 555 | D | 96.7 | Very high | 92.9 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 175.2 | -75.6 | -27.5 | 0 | 0 | 0 | 110.6 | R551 A557 L558 D559 | R551-D555 WeakPolarHBondContact CG-OD2 3.23Å; R551-D555 IonicContact CZ-OD1 3.6Å; R551-D555 IonicContact CZ-OD2 2.84Å; R551-D555 IonicContact NE-OD1 2.76Å; R551-D555 PolarHBondContact NE-OD1 2.73Å; R551-D555 IonicContact NE-OD2 3.86Å; R551-D555 PolarHBondContact NE-OD2 2.98Å; R551-D555 IonicContact NH2-OD1 2.85Å; R551-D555 PolarHBondContact NH2-OD1 2.81Å; R551-D555 IonicContact NH2-OD2 3.45Å; R551-D555 PolarHBondContact O-N 2.88Å; D555-A557 VanDerWaalsContact C-N 3.33Å; D555-A557 PolarHBondContact O-N 3.46Å; D555-L558 WeakPolarHBondContact O-CB 3.47Å; D555-L558 PolarHBondContact O-N 3.19Å; D555-L558 VanDerWaalsContact O-N 3.17Å; D555-D559 PolarHBondContact O-N 3.28Å |
| 556 | T | 96.9 | Very high | 93.4 | Very high | 77 Ų | 77 | 59.6 Ų | 59.6 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.8 | -43.8 | 171.2 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | D552 E553 Y554 L558 D559 Q560 | D552-T556 WeakPolarHBondContact O-CB 3.48Å; D552-T556 PolarHBondContact O-N 3.06Å; D552-T556 PolarHBondContact O-OG1 3.1Å; E553-T556 WeakPolarHBondContact O-CB 3.47Å; E553-T556 PolarHBondContact O-N 3.01Å; Y554-T556 VanDerWaalsContact C-N 3.3Å; T556-L558 VanDerWaalsContact C-N 3.32Å; T556-L558 PolarHBondContact O-N 3.03Å; T556-D559 PolarHBondContact O-N 2.67Å; T556-Q560 HydrophobicContact CG2-CG 4.47Å; T556-Q560 WeakPolarHBondContact O-CB 3.26Å; T556-Q560 WeakPolarHBondContact O-CG 3.41Å; T556-Q560 PolarHBondContact O-N 3.26Å |
| 557 | A | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.5 | -34 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V284 L285 H288 E553 Y554 D555 L561 | V284-A557 HydrophobicContact CG1-CB 3.98Å; L285-A557 HydrophobicContact CD2-CB 3.87Å; H288-A557 HydrophobicContact CB-CB 4.26Å; H288-A557 WeakPolarHBondContact ND1-CA 3.29Å; H288-A557 VanDerWaalsContact ND1-CB 3.35Å; H288-A557 WeakPolarHBondContact ND1-CB 3.14Å; E553-A557 PolarHBondContact O-N 2.95Å; Y554-A557 WeakPolarHBondContact O-CB 3.04Å; Y554-A557 PolarHBondContact O-N 2.87Å; D555-A557 VanDerWaalsContact C-N 3.33Å; D555-A557 PolarHBondContact O-N 3.46Å; A557-L561 WeakPolarHBondContact O-CB 3.31Å; A557-L561 PolarHBondContact O-N 2.8Å |
| 558 | L | 97.5 | Very high | 94.4 | Very high | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.7 | -41.2 | 173.5 | -71.3 | 169.6 | 0 | 0 | 0 | 111.8 | V284 S533 H534 Y554 D555 T556 L561 L562 | V284-L558 HydrophobicContact CG1-CD2 3.87Å; V284-L558 HydrophobicContact CG1-CG 4.23Å; V284-L558 HydrophobicContact CG2-CD2 3.97Å; S533-L558 VanDerWaalsContact OG-CD2 3.22Å; S533-L558 WeakPolarHBondContact OG-CD2 3.31Å; H534-L558 HydrophobicContact CB-CD1 4.28Å; Y554-L558 HydrophobicContact CD1-CD1 3.91Å; Y554-L558 HydrophobicContact CE1-CD1 3.62Å; Y554-L558 HydrophobicContact CE1-CG 4.23Å; Y554-L558 WeakPolarHBondContact O-CG 3.47Å; Y554-L558 PolarHBondContact O-N 3.16Å; D555-L558 WeakPolarHBondContact O-CB 3.47Å; D555-L558 PolarHBondContact O-N 3.19Å; D555-L558 VanDerWaalsContact O-N 3.17Å; T556-L558 VanDerWaalsContact C-N 3.32Å; T556-L558 PolarHBondContact O-N 3.03Å; L558-L561 WeakPolarHBondContact O-CB 3.44Å; L558-L561 PolarHBondContact O-N 2.82Å; L558-L562 PolarHBondContact O-N 2.86Å |
| 559 | D | 97.8 | Very high | 94.6 | Very high | 94 Ų | 94 | 57.1 Ų | 57.1 | 50% | 0.503 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.4 | -46 | 177.3 | -71.1 | -21.6 | 0 | 0 | 0 | 110.8 | D555 T556 L561 L562 E563 | D555-D559 PolarHBondContact O-N 3.28Å; T556-D559 PolarHBondContact O-N 2.67Å; D559-L561 VanDerWaalsContact C-N 3.27Å; D559-L561 PolarHBondContact O-N 3.22Å; D559-L562 WeakPolarHBondContact O-CB 3.25Å; D559-L562 PolarHBondContact O-N 2.84Å; D559-E563 PolarHBondContact O-N 3.02Å |
| 560 | Q | 97.1 | Very high | 93.6 | Very high | 50 Ų | 50 | 60.2 Ų | 60.2 | 23% | 0.234 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.3 | -36.1 | 175.1 | -73 | -59 | -48 | 0 | 0 | 112.6 | T556 L562 E563 F564 | T556-Q560 HydrophobicContact CG2-CG 4.47Å; T556-Q560 WeakPolarHBondContact O-CB 3.26Å; T556-Q560 WeakPolarHBondContact O-CG 3.41Å; T556-Q560 PolarHBondContact O-N 3.26Å; Q560-L562 VanDerWaalsContact C-N 3.32Å; Q560-L562 PolarHBondContact O-N 3.14Å; Q560-E563 PolarHBondContact NE2-OE2 3.4Å; Q560-E563 PolarHBondContact O-N 3.3Å; Q560-E563 PolarHBondContact OE1-OE2 3.43Å; Q560-F564 WeakPolarHBondContact O-CB 3.4Å; Q560-F564 PolarHBondContact O-N 3.39Å |
| 561 | L | 95.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 174 | -179.7 | 67.5 | 0 | 0 | 0 | 112.2 | L526 V529 H530 A557 L558 D559 R565 | L526-L561 HydrophobicContact CB-CD1 4.49Å; L526-L561 HydrophobicContact CD2-CD1 3.76Å; V529-L561 HydrophobicContact CB-CD2 3.9Å; V529-L561 HydrophobicContact CG1-CD2 3.56Å; H530-L561 HydrophobicContact CB-CD2 4.11Å; A557-L561 WeakPolarHBondContact O-CB 3.31Å; A557-L561 PolarHBondContact O-N 2.8Å; L558-L561 WeakPolarHBondContact O-CB 3.44Å; L558-L561 PolarHBondContact O-N 2.82Å; D559-L561 VanDerWaalsContact C-N 3.27Å; D559-L561 PolarHBondContact O-N 3.22Å; L561-R565 WeakPolarHBondContact O-CB 3.49Å; L561-R565 PolarHBondContact O-N 2.98Å |
| 562 | L | 95.8 | Very high | 90.5 | Very high | 45 Ų | 45 | 60.7 Ų | 60.7 | 24% | 0.236 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.9 | -40.4 | 175.8 | -68.8 | 178 | 0 | 0 | 0 | 111.8 | H530 L558 D559 Q560 F564 R565 D566 | H530-L562 HydrophobicContact CB-CD2 4.1Å; L558-L562 PolarHBondContact O-N 2.86Å; D559-L562 WeakPolarHBondContact O-CB 3.25Å; D559-L562 PolarHBondContact O-N 2.84Å; Q560-L562 VanDerWaalsContact C-N 3.32Å; Q560-L562 PolarHBondContact O-N 3.14Å; L562-F564 VanDerWaalsContact C-N 3.31Å; L562-F564 PolarHBondContact O-N 2.61Å; L562-R565 WeakPolarHBondContact O-CB 3.45Å; L562-R565 PolarHBondContact O-N 3.24Å; L562-R565 VanDerWaalsContact O-N 3.14Å; L562-D566 PolarHBondContact O-N 3.29Å |
| 563 | E | 95.9 | Very high | 88.5 | Confident | 112 Ų | 112 | 62.1 Ų | 62.1 | 52% | 0.523 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 172.7 | -70.5 | -179 | -176.3 | 0 | 0 | 110.9 | D559 Q560 R565 D566 | D559-E563 PolarHBondContact O-N 3.02Å; Q560-E563 PolarHBondContact NE2-OE2 3.4Å; Q560-E563 PolarHBondContact O-N 3.3Å; Q560-E563 PolarHBondContact OE1-OE2 3.43Å; E563-R565 VanDerWaalsContact C-N 3.34Å; E563-R565 PolarHBondContact O-N 3.03Å; E563-D566 WeakPolarHBondContact O-CB 3.49Å; E563-D566 PolarHBondContact O-N 3.33Å |
| 564 | F | 96.1 | Very high | 86.6 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 5% | 0.053 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.1 | -39 | 174.4 | -179.2 | -120.3 | 0 | 0 | 0 | 112.2 | F297 K367 M368 L526 Q560 L562 D566 L567 Y568 | F297-F564 HydrophobicContact CE1-CE1 4.03Å; F297-F564 AromaticContact CE1-CZ 3.9Å; F297-F564 HydrophobicContact CE1-CZ 3.9Å; F297-F564 AromaticContact CZ-CE1 3.74Å; F297-F564 HydrophobicContact CZ-CE1 3.74Å; F297-F564 HydrophobicContact CZ-CZ 4.06Å; K367-F564 HydrophobicContact CB-CE2 4.05Å; K367-F564 HydrophobicContact CB-CZ 3.99Å; K367-F564 HydrophobicContact CD-CE2 4.49Å; M368-F564 HydrophobicContact CB-CE1 4.06Å; M368-F564 HydrophobicContact CB-CZ 4.09Å; L526-F564 HydrophobicContact CD1-CD1 3.67Å; L526-F564 HydrophobicContact CD1-CE1 3.85Å; L526-F564 HydrophobicContact CD2-CD1 4.13Å; L526-F564 HydrophobicContact CD2-CE1 4.23Å; Q560-F564 WeakPolarHBondContact O-CB 3.4Å; Q560-F564 PolarHBondContact O-N 3.39Å; L562-F564 VanDerWaalsContact C-N 3.31Å; L562-F564 PolarHBondContact O-N 2.61Å; F564-D566 PolarHBondContact O-N 3.36Å; F564-L567 HydrophobicContact CD2-CD1 3.74Å; F564-L567 HydrophobicContact CE2-CD1 3.97Å; F564-L567 WeakPolarHBondContact O-CB 3.32Å; F564-L567 PolarHBondContact O-N 2.85Å; F564-Y568 HydrophobicContact CE1-CE2 4.03Å; F564-Y568 HydrophobicContact CE2-CE2 4.17Å; F564-Y568 AromaticContact CZ-CE2 3.81Å; F564-Y568 HydrophobicContact CZ-CE2 3.81Å |
| 565 | R | 95.6 | Very high | 86.2 | Confident | 69 Ų | 69 | 64.5 Ų | 64.5 | 26% | 0.26 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.7 | -33.3 | 175.4 | -178.9 | -85.3 | -99.7 | 156 | -5.3 | 112.2 | L526 D527 L561 L562 E563 L567 Y568 | L526-R565 HydrophobicContact CB-CB 3.82Å; L526-R565 HydrophobicContact CB-CG 3.88Å; L526-R565 HydrophobicContact CD1-CB 3.93Å; L526-R565 HydrophobicContact CD1-CG 4.34Å; D527-R565 IonicContact OD1-CZ 3.11Å; D527-R565 VanDerWaalsContact OD1-CZ 3.26Å; D527-R565 IonicContact OD1-NE 2.69Å; D527-R565 PolarHBondContact OD1-NE 3.09Å; D527-R565 IonicContact OD1-NH2 3.57Å; D527-R565 PolarHBondContact OD1-NH2 3.4Å; D527-R565 IonicContact OD2-NE 3.62Å; D527-R565 PolarHBondContact OD2-NE 3.16Å; D527-R565 IonicContact OD2-NH2 2.7Å; L561-R565 WeakPolarHBondContact O-CB 3.49Å; L561-R565 PolarHBondContact O-N 2.98Å; L562-R565 WeakPolarHBondContact O-CB 3.45Å; L562-R565 PolarHBondContact O-N 3.24Å; L562-R565 VanDerWaalsContact O-N 3.14Å; E563-R565 VanDerWaalsContact C-N 3.34Å; E563-R565 PolarHBondContact O-N 3.03Å; R565-L567 PolarHBondContact O-N 2.84Å; R565-Y568 WeakPolarHBondContact O-CA 3.31Å; R565-Y568 WeakPolarHBondContact O-CB 3.3Å; R565-Y568 PolarHBondContact O-N 3.36Å |
| 566 | D | 94.6 | Very high | 85.6 | Confident | 87 Ų | 87 | 65.2 Ų | 65.2 | 47% | 0.465 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.5 | -23.4 | -177.2 | -72.3 | -18.1 | 0 | 0 | 0 | 113.1 | L562 E563 F564 Y568 A569 | L562-D566 PolarHBondContact O-N 3.29Å; E563-D566 WeakPolarHBondContact O-CB 3.49Å; E563-D566 PolarHBondContact O-N 3.33Å; F564-D566 PolarHBondContact O-N 3.36Å; D566-Y568 PolarHBondContact O-N 3.13Å; D566-Y568 VanDerWaalsContact O-N 3.1Å; D566-A569 WeakPolarHBondContact O-CB 3.36Å; D566-A569 PolarHBondContact O-N 3.03Å; D566-A569 VanDerWaalsContact O-N 3.1Å |
| 567 | L | 93.6 | Very high | 85 | Confident | 69 Ų | 69 | 64.5 Ų | 64.5 | 36% | 0.361 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -19.9 | 170.5 | -58.6 | 177.2 | 0 | 0 | 0 | 112.9 | G365 R366 F564 R565 | G365-L567 WeakPolarHBondContact O-CD1 3.4Å; R366-L567 HydrophobicContact CG-CB 4.25Å; R366-L567 PolarHBondContact NE-O 2.92Å; R366-L567 PolarHBondContact NH2-O 3.15Å; F564-L567 HydrophobicContact CD2-CD1 3.74Å; F564-L567 HydrophobicContact CE2-CD1 3.97Å; F564-L567 WeakPolarHBondContact O-CB 3.32Å; F564-L567 PolarHBondContact O-N 2.85Å; R565-L567 PolarHBondContact O-N 2.84Å |
| 568 | Y | 93.6 | Very high | 84.3 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -1.4 | -179.8 | -61.8 | -93.2 | 0 | 0 | 0 | 113.4 | R366 K367 M368 S519 T520 L522 L526 F564 R565 D566 | R366-Y568 VanDerWaalsContact C-OH 3.28Å; R366-Y568 WeakPolarHBondContact CA-OH 3.39Å; R366-Y568 HydrophobicContact CB-CE1 3.75Å; R366-Y568 HydrophobicContact CB-CE2 4.34Å; R366-Y568 WeakPolarHBondContact CB-OH 3.32Å; R366-Y568 HydrophobicContact CG-CD1 4.1Å; R366-Y568 HydrophobicContact CG-CE1 3.79Å; R366-Y568 HydrophobicContact CG-CE2 4.24Å; R366-Y568 HydrophobicContact CG-CG 4.47Å; K367-Y568 PolarHBondContact N-OH 2.96Å; M368-Y568 VanDerWaalsContact CA-OH 3.32Å; M368-Y568 WeakPolarHBondContact CA-OH 3.23Å; M368-Y568 VanDerWaalsContact CB-OH 3.27Å; M368-Y568 WeakPolarHBondContact CB-OH 3.32Å; M368-Y568 PolarHBondContact N-OH 2.79Å; M368-Y568 PolarHBondContact O-OH 2.97Å; S519-Y568 WeakPolarHBondContact O-CD1 3.41Å; T520-Y568 VanDerWaalsContact CA-O 3.28Å; T520-Y568 WeakPolarHBondContact CA-O 3.18Å; T520-Y568 WeakPolarHBondContact CB-O 3.34Å; T520-Y568 VanDerWaalsContact CG2-O 3.31Å; T520-Y568 WeakPolarHBondContact CG2-O 3.46Å; L522-Y568 HydrophobicContact CB-CD1 3.91Å; L522-Y568 HydrophobicContact CB-CE1 3.9Å; L522-Y568 HydrophobicContact CD1-CE1 4.36Å; L526-Y568 HydrophobicContact CD1-CD2 3.84Å; L526-Y568 HydrophobicContact CD1-CE2 3.95Å; F564-Y568 HydrophobicContact CE1-CE2 4.03Å; F564-Y568 HydrophobicContact CE2-CE2 4.17Å; F564-Y568 AromaticContact CZ-CE2 3.81Å; F564-Y568 HydrophobicContact CZ-CE2 3.81Å; R565-Y568 WeakPolarHBondContact O-CA 3.31Å; R565-Y568 WeakPolarHBondContact O-CB 3.3Å; R565-Y568 PolarHBondContact O-N 3.36Å; D566-Y568 PolarHBondContact O-N 3.13Å; D566-Y568 VanDerWaalsContact O-N 3.1Å |
| 569 | A | 86.5 | Confident | 83.4 | Confident | 63 Ų | 63 | 72.3 Ų | 72.3 | 52% | 0.521 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -40.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D566 | D566-A569 WeakPolarHBondContact O-CB 3.36Å; D566-A569 PolarHBondContact O-N 3.03Å; D566-A569 VanDerWaalsContact O-N 3.1Å |
| 570 | D | 69.4 | Low | 82.5 | Confident | 85 Ų | 85 | 70.8 Ų | 70.8 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | trans | -95 | 122.6 | -173.3 | -80.5 | -24.7 | 0 | 0 | 0 | 113 | R366 T520 Q572 Y573 | R366-D570 PolarHBondContact NH2-O 3.48Å; T520-D570 WeakPolarHBondContact CG2-O 3.38Å; D570-Q572 PolarHBondContact O-N 2.9Å; D570-Y573 HydrophobicContact CB-CD2 3.63Å; D570-Y573 HydrophobicContact CB-CE2 3.57Å | ||
| 571 | S | 61.3 | Low | 81.4 | Confident | 56 Ų | 56 | 72.3 Ų | 72.3 | 39% | 0.392 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -75.6 | -9.6 | 174.9 | 64.8 | 0 | 0 | 0 | 0 | 113.9 | Y573 | S571-Y573 VanDerWaalsContact C-N 3.29Å; S571-Y573 PolarHBondContact O-N 2.9Å |
| 572 | Q | 55.3 | Low | 80.3 | Confident | 171 Ų | 171 | 77.8 Ų | 77.8 | 80% | 0.799 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -79.5 | -5.1 | -171.4 | -64 | -173.5 | 16.8 | 0 | 0 | 114.6 | D570 | D570-Q572 PolarHBondContact O-N 2.9Š|
| 573 | Y | 53.3 | Low | 79.1 | Confident | 146 Ų | 146 | 80.5 Ų | 80.5 | 57% | 0.573 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -95.2 | 22.6 | -175.7 | -66.2 | -73.9 | 0 | 0 | 0 | 114.9 | A364 D570 S571 | A364-Y573 HydrophobicContact CB-CG 4.43Å; D570-Y573 HydrophobicContact CB-CD2 3.63Å; D570-Y573 HydrophobicContact CB-CE2 3.57Å; S571-Y573 VanDerWaalsContact C-N 3.29Å; S571-Y573 PolarHBondContact O-N 2.9Å |
| 574 | L | 53.6 | Low | 77.5 | Confident | 93 Ų | 93 | 77.6 Ų | 77.6 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | trans | -104.9 | 0 | 168 | -69.3 | -165.9 | 0 | 0 | 0 | 113 | P363 Y411 V413 | P363-L574 HydrophobicContact CB-CD2 4.1Å; P363-L574 HydrophobicContact CG-CD2 3.59Å; Y411-L574 WeakPolarHBondContact O-CD1 3.48Å; V413-L574 HydrophobicContact CG2-CD1 3.72Å; V413-L574 HydrophobicContact CG2-CD2 3.25Å; V413-L574 HydrophobicContact CG2-CG 4.13Å |
Retrieved 574 of 574 residues in 301.1 ms
(Link to these results)