| 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 | 52.5 | Low | 81.2 | Confident | 67 Ų | 67 | 47.7 Ų | 47.7 | 33% | 0.33 | 23% | 0.232 | S | C | . | . | 0 | 167.1 | 0 | -94.1 | -155.3 | -72.4 | 0 | 0 | 114.2 | F3 D618 E620 | M1-F3 WeakPolarHBondContact O-CE2 3.46Å; M1-F3 VanDerWaalsContact O-CZ 3.27Å; M1-F3 WeakPolarHBondContact O-CZ 3.44Å; M1-D618 WeakPolarHBondContact CB-OD2 3.27Å; M1-D618 VanDerWaalsContact CG-OD2 3.27Å; M1-D618 WeakPolarHBondContact CG-OD2 2.99Å; M1-D618 PolarHBondContact N-OD2 3.39Å; M1-E620 PolarHBondContact N-OE2 3.47Å; M1-E620 VanDerWaalsContact N-OE2 3.11Å | |||
| 2 | K | 63.8 | Low | 81.3 | Confident | 94 Ų | 94 | 44.1 Ų | 44.1 | 41% | 0.409 | 22% | 0.216 | S | C | . | . | trans | -88.1 | 139.3 | 174.9 | -67.4 | -175.3 | 176.8 | -166.3 | 0 | 111.1 | L732 D739 | K2-L732 WeakPolarHBondContact O-CD2 2.99Å; K2-D739 VanDerWaalsContact CD-OD2 3.26Å; K2-D739 WeakPolarHBondContact CD-OD2 3.23Å; K2-D739 VanDerWaalsContact CE-OD2 3.26Å; K2-D739 WeakPolarHBondContact CE-OD2 3.46Å; K2-D739 IonicContact NZ-OD1 2.83Å; K2-D739 PolarHBondContact NZ-OD1 3.28Å; K2-D739 IonicContact NZ-OD2 3.68Å; K2-D739 PolarHBondContact NZ-OD2 3.33Å | ||
| 3 | F | 67.3 | Low | 81.6 | Confident | 63 Ų | 63 | 42.2 Ų | 42.2 | 28% | 0.276 | 21% | 0.212 | S | C | . | . | trans | -100.9 | 18.7 | -168.1 | -53.2 | -67.1 | 0 | 0 | 0 | 115 | M1 Y5 I633 L642 | M1-F3 WeakPolarHBondContact O-CE2 3.46Å; M1-F3 VanDerWaalsContact O-CZ 3.27Å; M1-F3 WeakPolarHBondContact O-CZ 3.44Å; F3-Y5 PolarHBondContact O-N 3.12Å; F3-I633 HydrophobicContact CD1-CG2 4.34Å; F3-I633 HydrophobicContact CE1-CG2 4.49Å; F3-L642 HydrophobicContact CD1-CD1 3.79Å; F3-L642 HydrophobicContact CD2-CB 4.5Å; F3-L642 HydrophobicContact CD2-CD1 4.01Å; F3-L642 HydrophobicContact CD2-CD2 4.11Å; F3-L642 HydrophobicContact CD2-CG 4.45Å; F3-L642 HydrophobicContact CE1-CD1 3.34Å; F3-L642 HydrophobicContact CE2-CD1 3.57Å; F3-L642 HydrophobicContact CE2-CD2 3.82Å; F3-L642 HydrophobicContact CE2-CG 4.25Å; F3-L642 HydrophobicContact CG-CB 4.44Å; F3-L642 HydrophobicContact CG-CD1 4.11Å; F3-L642 HydrophobicContact CZ-CD1 3.22Å; F3-L642 HydrophobicContact CZ-CD2 4.32Å; F3-L642 HydrophobicContact CZ-CG 4.35Å | ||
| 4 | A | 80.4 | Confident | 82.2 | Confident | 33 Ų | 33 | 39.5 Ų | 39.5 | 27% | 0.273 | 20% | 0.199 | S | C | . | . | trans | -82.7 | 38.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R6 | A4-R6 PolarHBondContact O-N 2.94Š| ||
| 5 | Y | 87.4 | Confident | 82.9 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | trans | -59.6 | 132.6 | 176.8 | -65.9 | -79 | 0 | 0 | 0 | 110.7 | F3 I633 K643 F645 F712 G716 W719 L732 | F3-Y5 PolarHBondContact O-N 3.12Å; Y5-I633 HydrophobicContact CD2-CD1 4.01Å; Y5-I633 HydrophobicContact CE2-CD1 4.12Å; Y5-K643 PolarHBondContact O-NZ 3.05Å; Y5-F645 HydrophobicContact CD2-CZ 4.19Å; Y5-F712 HydrophobicContact CE2-CE1 4.46Å; Y5-G716 PolarHBondContact OH-O 3.16Å; Y5-W719 AromaticContact CD1-CD1 3.51Å; Y5-W719 AromaticContact CD1-NE1 3.55Å; Y5-W719 AromaticContact CD2-NE1 3.63Å; Y5-W719 AromaticContact CE1-CD1 3.61Å; Y5-W719 AromaticContact CG-CD1 3.74Å; Y5-W719 AromaticContact CG-NE1 3.31Å; Y5-W719 VanDerWaalsContact CG-NE1 3.31Å; Y5-W719 AromaticContact CZ-CD1 3.93Å; Y5-L732 HydrophobicContact CD1-CD2 3.74Å; Y5-L732 HydrophobicContact CD1-CG 3.8Å; Y5-L732 HydrophobicContact CD2-CD2 4.21Å; Y5-L732 HydrophobicContact CE1-CD1 4.13Å; Y5-L732 HydrophobicContact CE1-CD2 3.83Å; Y5-L732 HydrophobicContact CE1-CG 3.59Å; Y5-L732 HydrophobicContact CE2-CD2 4.29Å; Y5-L732 HydrophobicContact CG-CD2 3.93Å; Y5-L732 HydrophobicContact CG-CG 4.49Å | ||
| 6 | R | 88.2 | Confident | 83.2 | Confident | 145 Ų | 145 | 39.5 Ų | 39.5 | 55% | 0.547 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 154.7 | 173.7 | -68.2 | -66.1 | -176.9 | 172.6 | 0.3 | 109.3 | A4 S8 Y730 S731 | A4-R6 PolarHBondContact O-N 2.94Å; R6-S8 PolarHBondContact O-N 3.25Å; R6-Y730 CarbonylContact O-C 3.49Å; R6-Y730 VanDerWaalsContact O-CA 3.25Å; R6-Y730 WeakPolarHBondContact O-CA 3.32Å; R6-S731 PolarHBondContact N-O 3.44Å; R6-S731 PolarHBondContact O-N 3.03Å |
| 7 | F | 90.5 | Very high | 83.5 | Confident | 31 Ų | 31 | 41.9 Ų | 41.9 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 127.3 | 172.8 | 173.6 | -104.2 | 0 | 0 | 0 | 109 | N9 L10 T49 P51 L728 Y730 | F7-N9 WeakPolarHBondContact CE2-O 3.24Å; F7-L10 HydrophobicContact CE2-CB 4.24Å; F7-L10 HydrophobicContact CZ-CB 3.95Å; F7-T49 HydrophobicContact CE1-CG2 3.95Å; F7-T49 HydrophobicContact CZ-CG2 3.82Å; F7-P51 HydrophobicContact CD1-CB 4.39Å; F7-L728 HydrophobicContact CD2-CD2 4.07Å; F7-L728 HydrophobicContact CE2-CD2 3.48Å; F7-L728 VanDerWaalsContact CE2-CD2 3.48Å; F7-L728 HydrophobicContact CZ-CD2 4.44Å; F7-Y730 HydrophobicContact CB-CD1 4.38Å; F7-Y730 HydrophobicContact CB-CE1 4.12Å |
| 8 | S | 89.9 | Confident | 83.8 | Confident | 58 Ų | 58 | 40.4 Ų | 40.4 | 41% | 0.406 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | -50.4 | -176.6 | -171.1 | 0 | 0 | 0 | 0 | 111.6 | R6 V729 | R6-S8 PolarHBondContact O-N 3.25Å; S8-V729 WeakPolarHBondContact CB-O 3.45Å; S8-V729 PolarHBondContact N-O 3.1Å |
| 9 | N | 91.3 | Very high | 84.2 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 10% | 0.102 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 154.1 | -176.4 | -150.6 | -3.2 | 0 | 0 | 0 | 111.3 | F7 L11 S47 T49 V729 | F7-N9 WeakPolarHBondContact CE2-O 3.24Å; N9-L11 HydrophobicContact CB-CD2 4.41Å; N9-S47 PolarHBondContact ND2-O 3.35Å; N9-T49 PolarHBondContact OD1-N 3.45Å; N9-T49 PolarHBondContact OD1-OG1 3.19Å; N9-V729 PolarHBondContact N-O 3.47Å; N9-V729 PolarHBondContact O-N 3.48Å |
| 10 | L | 92.1 | Very high | 84.8 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 109 | 168.8 | 172.9 | 65.6 | 0 | 0 | 0 | 108.2 | F7 V33 T49 L728 | F7-L10 HydrophobicContact CE2-CB 4.24Å; F7-L10 HydrophobicContact CZ-CB 3.95Å; L10-V33 HydrophobicContact CD2-CB 4.24Å; L10-V33 HydrophobicContact CD2-CG1 3.57Å; L10-V33 HydrophobicContact CG-CG1 4.44Å; L10-T49 HydrophobicContact CB-CG2 4.05Å; L10-T49 WeakPolarHBondContact CB-OG1 3.33Å; L10-T49 PolarHBondContact N-OG1 3.34Å; L10-T49 VanDerWaalsContact N-OG1 3.08Å; L10-T49 PolarHBondContact O-OG1 2.86Å; L10-L728 HydrophobicContact CB-CD2 4.32Å; L10-L728 HydrophobicContact CD1-CD2 3.62Å; L10-L728 HydrophobicContact CD1-CG 3.95Å; L10-L728 HydrophobicContact CG-CD2 4.47Å |
| 11 | L | 90.4 | Very high | 85.2 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 173.9 | 175 | -53.5 | -175.2 | 0 | 0 | 0 | 109.7 | N9 A13 I390 G407 L727 V729 | N9-L11 HydrophobicContact CB-CD2 4.41Å; L11-A13 PolarHBondContact O-N 3.29Å; L11-I390 HydrophobicContact CD1-CD1 4.3Å; L11-G407 WeakPolarHBondContact CD2-O 3.43Å; L11-L727 HydrophobicContact CB-CB 3.94Å; L11-L727 HydrophobicContact CB-CD2 3.83Å; L11-L727 HydrophobicContact CB-CG 4.03Å; L11-L727 HydrophobicContact CD1-CD2 4.1Å; L11-L727 PolarHBondContact N-O 3.1Å; L11-L727 WeakPolarHBondContact O-CA 3.46Å; L11-L727 WeakPolarHBondContact O-CB 3.33Å; L11-L727 PolarHBondContact O-N 3.44Å; L11-V729 HydrophobicContact CD1-CG2 3.86Å; L11-V729 HydrophobicContact CG-CG2 4.07Å |
| 12 | G | 81.9 | Confident | 87.2 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 78.1 | -16.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | G373 H374 W402 | G12-G373 CarbonylContact O-C 3.54Å; G12-G373 WeakPolarHBondContact O-CA 3.48Å; G12-H374 PolarHBondContact O-N 3.35Å; G12-W402 VanDerWaalsContact CA-CH2 3.45Å |
| 13 | A | 85.4 | Confident | 88.5 | Confident | 19 Ų | 19 | 33.7 Ų | 33.7 | 16% | 0.157 | 17% | 0.174 | C | C | . | . | trans | -131 | 121.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | L11 V33 E725 | L11-A13 PolarHBondContact O-N 3.29Å; A13-V33 HydrophobicContact CB-CG1 3.41Å; A13-V33 VanDerWaalsContact CB-CG1 3.41Å; A13-V33 WeakPolarHBondContact O-CG1 3.47Å; A13-E725 WeakPolarHBondContact CB-O 3.45Å | ||
| 14 | V | 89.7 | Confident | 89.4 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -109.2 | -36.7 | -169.7 | -166.5 | 0 | 0 | 0 | 0 | 111.3 | S31 V33 F40 L357 F369 Q371 | V14-S31 PolarHBondContact O-OG 3.38Å; V14-V33 WeakPolarHBondContact O-CG2 3.22Å; V14-F40 HydrophobicContact CB-CZ 4.36Å; V14-F40 HydrophobicContact CG1-CE1 4.2Å; V14-F40 HydrophobicContact CG1-CE2 3.8Å; V14-F40 HydrophobicContact CG1-CZ 3.54Å; V14-L357 HydrophobicContact CB-CB 4.23Å; V14-L357 HydrophobicContact CG1-CB 3.44Å; V14-L357 VanDerWaalsContact CG1-CB 3.44Å; V14-L357 HydrophobicContact CG1-CD2 3.72Å; V14-L357 HydrophobicContact CG1-CG 4.18Å; V14-F369 HydrophobicContact CG1-CE1 4.31Å; V14-Q371 HydrophobicContact CB-CB 4.48Å; V14-Q371 HydrophobicContact CG1-CB 3.87Å; V14-Q371 HydrophobicContact CG2-CB 3.96Å |
| 15 | Y | 92.8 | Very high | 89.7 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 2% | 0.024 | 20% | 0.203 | C | C | . | . | trans | -153.4 | 143.5 | 176.4 | 174.9 | -107.2 | 0 | 0 | 0 | 108.4 | G18 L20 P32 A336 S337 C351 G355 | Y15-G18 WeakPolarHBondContact CE2-O 3.19Å; Y15-G18 PolarHBondContact OH-O 3.32Å; Y15-L20 HydrophobicContact CD2-CD2 3.79Å; Y15-L20 HydrophobicContact CD2-CG 4.44Å; Y15-L20 HydrophobicContact CE2-CD2 3.99Å; Y15-L20 HydrophobicContact CE2-CG 4.21Å; Y15-P32 HydrophobicContact CD2-CG 4.39Å; Y15-P32 HydrophobicContact CE2-CG 4.13Å; Y15-A336 HydrophobicContact CE1-CB 4.2Å; Y15-A336 WeakPolarHBondContact OH-CB 3.14Å; Y15-S337 PolarHBondContact OH-OG 3.44Å; Y15-C351 WeakPolarHBondContact CD1-O 3.39Å; Y15-G355 WeakPolarHBondContact O-CA 3.49Å | ||
| 16 | R | 87.4 | Confident | 89.6 | Confident | 73 Ų | 73 | 40.2 Ų | 40.2 | 28% | 0.275 | 20% | 0.202 | S | C | . | . | trans | -128 | -61.7 | 177 | -165.6 | 165.2 | -178.9 | 144.6 | -2.3 | 111.7 | P32 S352 | R16-P32 PolarHBondContact N-O 3.41Å; R16-S352 VanDerWaalsContact O-CA 3.3Å; R16-S352 WeakPolarHBondContact O-CA 3.5Å; R16-S352 WeakPolarHBondContact O-CB 3.48Å; R16-S352 PolarHBondContact O-OG 3.02Å | ||
| 17 | Q | 87.9 | Confident | 89.8 | Confident | 81 Ų | 81 | 36 Ų | 36 | 38% | 0.379 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -156.6 | 148.3 | -179.3 | -178 | 173.6 | -6.1 | 0 | 0 | 109.5 | P32 | Q17-P32 VanDerWaalsContact O-CB 3.27Å; Q17-P32 WeakPolarHBondContact O-CB 3.38Å; Q17-P32 WeakPolarHBondContact O-CG 3.41Å |
| 18 | G | 89.1 | Confident | 89.9 | Confident | 14 Ų | 14 | 35 Ų | 35 | 14% | 0.144 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 114.5 | -178.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y15 T59 S337 | Y15-G18 WeakPolarHBondContact CE2-O 3.19Å; Y15-G18 PolarHBondContact OH-O 3.32Å; G18-T59 WeakPolarHBondContact CA-O 3.25Å; G18-S337 WeakPolarHBondContact O-CB 3.32Å; G18-S337 PolarHBondContact O-OG 3.2Å |
| 19 | N | 92.8 | Very high | 90.1 | Very high | 46 Ų | 46 | 32.3 Ų | 32.3 | 25% | 0.246 | 17% | 0.169 | C | C | . | . | trans | -78.8 | 150.4 | 178.6 | 65.8 | -30.2 | 0 | 0 | 0 | 112.5 | P32 T59 C60 V61 | N19-P32 VanDerWaalsContact O-CD 3.27Å; N19-P32 WeakPolarHBondContact O-CD 3.42Å; N19-T59 PolarHBondContact N-O 3.34Å; N19-C60 WeakPolarHBondContact OD1-CA 3.45Å; N19-V61 PolarHBondContact ND2-O 2.74Å; N19-V61 PolarHBondContact OD1-N 2.84Å; N19-V61 PolarHBondContact OD1-O 3.1Å | ||
| 20 | L | 94.8 | Very high | 90.2 | Very high | 5 Ų | 5 | 31.7 Ų | 31.7 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | trans | -94.1 | 148 | 170.2 | -66.9 | 172.3 | 0 | 0 | 0 | 109.8 | Y15 V29 S337 A339 A348 L357 | Y15-L20 HydrophobicContact CD2-CD2 3.79Å; Y15-L20 HydrophobicContact CD2-CG 4.44Å; Y15-L20 HydrophobicContact CE2-CD2 3.99Å; Y15-L20 HydrophobicContact CE2-CG 4.21Å; L20-V29 HydrophobicContact CD2-CG1 4.48Å; L20-S337 WeakPolarHBondContact CG-OG 3.47Å; L20-A339 HydrophobicContact CB-CB 3.99Å; L20-A339 WeakPolarHBondContact O-CB 3.43Å; L20-A348 HydrophobicContact CD1-CB 4.15Å; L20-L357 HydrophobicContact CD1-CD1 3.51Å; L20-L357 HydrophobicContact CD2-CD1 3.71Å; L20-L357 HydrophobicContact CG-CD1 4.28Å | ||
| 21 | N | 93.9 | Very high | 90.4 | Very high | 36 Ų | 36 | 31.4 Ų | 31.4 | 19% | 0.193 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 150.9 | 171.6 | -67 | -71.1 | 0 | 0 | 0 | 110.5 | I30 V61 V63 | N21-I30 HydrophobicContact CB-CB 4.45Å; N21-I30 PolarHBondContact N-O 2.92Å; N21-I30 PolarHBondContact O-N 3.39Å; N21-V61 PolarHBondContact ND2-O 3.07Å; N21-V63 HydrophobicContact CB-CG2 3.9Å |
| 22 | F | 94.3 | Very high | 90.5 | Very high | 20 Ų | 20 | 31.2 Ų | 31.2 | 9% | 0.088 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 153 | 165.6 | -78.4 | -89.2 | 0 | 0 | 0 | 110.5 | A28 V29 A339 V340 N341 W346 A348 V359 | F22-A28 CarbonylContact C-O 3.6Å; F22-A28 WeakPolarHBondContact CA-O 3.41Å; F22-V29 HydrophobicContact CD1-CG2 3.75Å; F22-V29 HydrophobicContact CE1-CG2 3.36Å; F22-V29 HydrophobicContact CZ-CG2 3.88Å; F22-A339 HydrophobicContact CD2-CB 4.16Å; F22-A339 HydrophobicContact CE2-CB 4.21Å; F22-V340 VanDerWaalsContact CD2-C 3.5Å; F22-N341 HydrophobicContact CD1-CB 4.18Å; F22-N341 HydrophobicContact CD2-CB 4.29Å; F22-N341 HydrophobicContact CE1-CB 4.2Å; F22-N341 HydrophobicContact CE2-CB 4.33Å; F22-N341 HydrophobicContact CG-CB 4.21Å; F22-N341 HydrophobicContact CZ-CB 4.27Å; F22-W346 HydrophobicContact CE1-CB 4.41Å; F22-W346 HydrophobicContact CE1-CE3 4.44Å; F22-W346 HydrophobicContact CZ-CB 4.24Å; F22-A348 HydrophobicContact CE2-CB 3.6Å; F22-A348 HydrophobicContact CZ-CB 3.63Å; F22-V359 HydrophobicContact CE1-CG1 4.49Å; F22-V359 HydrophobicContact CZ-CG1 4.25Å |
| 23 | S | 91.2 | Very high | 91 | Very high | 35 Ų | 35 | 31.2 Ų | 31.2 | 25% | 0.245 | 16% | 0.162 | C | C | . | . | trans | -63.8 | 157.1 | 162.8 | -179 | 0 | 0 | 0 | 0 | 110.2 | D25 G26 A28 | S23-D25 PolarHBondContact O-N 3.32Å; S23-G26 WeakPolarHBondContact O-CA 3.38Å; S23-G26 PolarHBondContact O-N 3.26Å; S23-A28 PolarHBondContact N-O 3Å | ||
| 24 | K | 85.8 | Confident | 91.2 | Very high | 116 Ų | 116 | 30.5 Ų | 30.5 | 50% | 0.504 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -40.9 | 176.3 | -177.4 | -173.9 | -173.6 | 164.6 | 0 | 112.6 | G26 P65 S342 | K24-G26 PolarHBondContact O-N 3.15Å; K24-P65 VanDerWaalsContact CD-O 3.23Å; K24-P65 WeakPolarHBondContact CD-O 3.46Å; K24-S342 PolarHBondContact O-OG 2.96Å |
| 25 | D | 86.6 | Confident | 91.3 | Very high | 120 Ų | 120 | 30.3 Ų | 30.3 | 64% | 0.642 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -8.6 | -179 | -58.5 | -21.1 | 0 | 0 | 0 | 112.6 | S23 N27 | S23-D25 PolarHBondContact O-N 3.32Å; D25-N27 PolarHBondContact O-N 3Å; D25-N27 VanDerWaalsContact O-N 3.14Å |
| 26 | G | 86.9 | Confident | 91.3 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 76.1 | -9.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | S23 K24 A28 N341 | S23-G26 WeakPolarHBondContact O-CA 3.38Å; S23-G26 PolarHBondContact O-N 3.26Å; K24-G26 PolarHBondContact O-N 3.15Å; G26-A28 PolarHBondContact O-N 3.05Å; G26-N341 VanDerWaalsContact CA-CG 3.49Å; G26-N341 WeakPolarHBondContact CA-OD1 3.06Å; G26-N341 PolarHBondContact O-ND2 2.75Å |
| 27 | N | 90.8 | Very high | 91.6 | Very high | 57 Ų | 57 | 27.5 Ų | 27.5 | 31% | 0.305 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -77.7 | -21.1 | -174.9 | -61.9 | -40.9 | 0 | 0 | 0 | 113.9 | D25 L42 K43 | D25-N27 PolarHBondContact O-N 3Å; D25-N27 VanDerWaalsContact O-N 3.14Å; N27-L42 VanDerWaalsContact O-CB 3.29Å; N27-L42 WeakPolarHBondContact O-CB 3.42Å; N27-L42 WeakPolarHBondContact O-CG 3.48Å; N27-L42 PolarHBondContact O-N 3.33Å; N27-K43 HydrophobicContact CB-CB 4.31Å |
| 28 | A | 92.3 | Very high | 91.9 | Very high | 10 Ų | 10 | 23.7 Ų | 23.7 | 8% | 0.083 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 142.3 | -174 | 0 | 0 | 0 | 0 | 0 | 112.5 | F22 S23 G26 V39 F40 | F22-A28 CarbonylContact C-O 3.6Å; F22-A28 WeakPolarHBondContact CA-O 3.41Å; S23-A28 PolarHBondContact N-O 3Å; G26-A28 PolarHBondContact O-N 3.05Å; A28-V39 HydrophobicContact CB-CG1 3.94Å; A28-F40 CarbonylContact C-O 3.58Å; A28-F40 WeakPolarHBondContact CA-O 3.19Å |
| 29 | V | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 127.8 | 174.2 | 176.5 | 0 | 0 | 0 | 0 | 109.3 | L20 F22 V39 F40 L42 A348 L357 V359 | L20-V29 HydrophobicContact CD2-CG1 4.48Å; F22-V29 HydrophobicContact CD1-CG2 3.75Å; F22-V29 HydrophobicContact CE1-CG2 3.36Å; F22-V29 HydrophobicContact CZ-CG2 3.88Å; V29-V39 WeakPolarHBondContact O-CA 3.43Å; V29-F40 PolarHBondContact N-O 3.03Å; V29-F40 PolarHBondContact O-N 2.88Å; V29-L42 HydrophobicContact CG2-CD1 3.99Å; V29-A348 HydrophobicContact CG1-CB 4.48Å; V29-A348 HydrophobicContact CG2-CB 4.47Å; V29-L357 HydrophobicContact CG1-CD1 4.4Å; V29-L357 HydrophobicContact CG1-CD2 4.2Å; V29-V359 HydrophobicContact CG2-CG2 3.8Å |
| 30 | I | 94.5 | Very high | 92.2 | Very high | 7 Ų | 7 | 23 Ų | 23 | 4% | 0.036 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 113.5 | 176.1 | -58.2 | 171.1 | 0 | 0 | 0 | 106.9 | N21 V37 S38 V39 V61 V63 L84 | N21-I30 HydrophobicContact CB-CB 4.45Å; N21-I30 PolarHBondContact N-O 2.92Å; N21-I30 PolarHBondContact O-N 3.39Å; I30-V37 HydrophobicContact CG2-CG1 3.31Å; I30-S38 WeakPolarHBondContact CA-O 3.42Å; I30-V39 HydrophobicContact CG1-CG2 4.31Å; I30-V61 HydrophobicContact CG2-CG1 4.44Å; I30-V63 HydrophobicContact CD1-CG1 4.41Å; I30-V63 HydrophobicContact CD1-CG2 3.84Å; I30-L84 HydrophobicContact CD1-CD1 4.11Å |
| 31 | S | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 138.3 | 178.8 | 78.5 | 0 | 0 | 0 | 0 | 112.2 | V14 V37 S38 F40 | V14-S31 PolarHBondContact O-OG 3.38Å; S31-V37 WeakPolarHBondContact O-CA 3.33Å; S31-S38 PolarHBondContact N-O 2.86Å; S31-S38 PolarHBondContact O-N 3.48Å; S31-F40 VanDerWaalsContact OG-CE2 3.29Å; S31-F40 WeakPolarHBondContact OG-CE2 3.38Å |
| 32 | P | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 128.6 | 168.1 | 29.3 | -33.1 | 0 | 0 | 0 | 111 | Y15 R16 Q17 N19 I58 | Y15-P32 HydrophobicContact CD2-CG 4.39Å; Y15-P32 HydrophobicContact CE2-CG 4.13Å; R16-P32 PolarHBondContact N-O 3.41Å; Q17-P32 VanDerWaalsContact O-CB 3.27Å; Q17-P32 WeakPolarHBondContact O-CB 3.38Å; Q17-P32 WeakPolarHBondContact O-CG 3.41Å; N19-P32 VanDerWaalsContact O-CD 3.27Å; N19-P32 WeakPolarHBondContact O-CD 3.42Å; P32-I58 HydrophobicContact CB-CB 4.02Å; P32-I58 HydrophobicContact CB-CG2 3.92Å |
| 33 | V | 91.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.024 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 86.6 | 179.4 | -170.5 | 0 | 0 | 0 | 0 | 108.4 | L10 A13 V14 N35 R36 | L10-V33 HydrophobicContact CD2-CB 4.24Å; L10-V33 HydrophobicContact CD2-CG1 3.57Å; L10-V33 HydrophobicContact CG-CG1 4.44Å; A13-V33 HydrophobicContact CB-CG1 3.41Å; A13-V33 VanDerWaalsContact CB-CG1 3.41Å; A13-V33 WeakPolarHBondContact O-CG1 3.47Å; V14-V33 WeakPolarHBondContact O-CG2 3.22Å; V33-N35 PolarHBondContact O-N 2.9Å; V33-R36 CarbonylContact C-O 3.58Å; V33-R36 PolarHBondContact N-O 2.96Å; V33-R36 PolarHBondContact O-N 3.33Å; V33-R36 VanDerWaalsContact O-N 3.16Å |
| 34 | G | 89.1 | Confident | 91.7 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | -117.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111 | N57 I58 | G34-N57 WeakPolarHBondContact O-CA 3.22Å; G34-I58 PolarHBondContact O-N 2.9Å |
| 35 | N | 92.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 11.7 | 177.8 | 73.3 | -31.2 | 0 | 0 | 0 | 113.5 | V33 S53 T54 K56 N650 | V33-N35 PolarHBondContact O-N 2.9Å; N35-S53 WeakPolarHBondContact O-CA 3.3Å; N35-T54 WeakPolarHBondContact CA-OG1 3.46Å; N35-T54 WeakPolarHBondContact CB-O 3.39Å; N35-T54 WeakPolarHBondContact CB-OG1 3.36Å; N35-T54 PolarHBondContact ND2-O 3.45Å; N35-T54 PolarHBondContact O-N 3.13Å; N35-T54 PolarHBondContact O-OG1 2.71Å; N35-K56 WeakPolarHBondContact CB-O 3.36Å; N35-N650 HydrophobicContact CB-CB 4.04Å |
| 36 | R | 93.1 | Very high | 92 | Very high | 17 Ų | 17 | 28 Ų | 28 | 6% | 0.064 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 164.4 | 178.8 | -55.6 | -172.9 | -178.4 | -96.1 | 4.1 | 110.9 | V33 T49 I52 I58 | V33-R36 CarbonylContact C-O 3.58Å; V33-R36 PolarHBondContact N-O 2.96Å; V33-R36 PolarHBondContact O-N 3.33Å; V33-R36 VanDerWaalsContact O-N 3.16Å; R36-T49 HydrophobicContact CB-CG2 3.81Å; R36-I52 WeakPolarHBondContact CG-O 3.28Å; R36-I52 PolarHBondContact NH1-O 3.14Å; R36-I52 VanDerWaalsContact NH1-O 3.17Å; R36-I58 WeakPolarHBondContact O-CD1 3.44Å |
| 37 | V | 94.2 | Very high | 92.2 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.3 | 176 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | I30 S31 L50 I52 I58 V61 V72 | I30-V37 HydrophobicContact CG2-CG1 3.31Å; S31-V37 WeakPolarHBondContact O-CA 3.33Å; V37-L50 HydrophobicContact CB-CD1 4.28Å; V37-L50 HydrophobicContact CG1-CD1 4.37Å; V37-L50 PolarHBondContact O-N 3.31Å; V37-I52 HydrophobicContact CB-CD1 4.27Å; V37-I52 HydrophobicContact CG2-CD1 4.17Å; V37-I58 HydrophobicContact CG2-CD1 3.65Å; V37-V61 HydrophobicContact CG2-CG2 4.34Å; V37-V72 HydrophobicContact CG2-CG1 4.12Å; V37-V72 HydrophobicContact CG2-CG2 3.96Å |
| 38 | S | 93.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 139.7 | 173.8 | -68.7 | 0 | 0 | 0 | 0 | 110.5 | I30 S31 E48 T49 | I30-S38 WeakPolarHBondContact CA-O 3.42Å; S31-S38 PolarHBondContact N-O 2.86Å; S31-S38 PolarHBondContact O-N 3.48Å; S38-E48 WeakPolarHBondContact CA-O 3.24Å; S38-T49 PolarHBondContact OG-OG1 3.25Å |
| 39 | V | 93.9 | Very high | 92.2 | Very high | 36 Ų | 36 | 29.3 Ų | 29.3 | 22% | 0.218 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 117.4 | 175.5 | -174.9 | 0 | 0 | 0 | 0 | 107.7 | A28 V29 I30 E48 L50 | A28-V39 HydrophobicContact CB-CG1 3.94Å; V29-V39 WeakPolarHBondContact O-CA 3.43Å; I30-V39 HydrophobicContact CG1-CG2 4.31Å; V39-E48 PolarHBondContact N-O 3Å; V39-E48 PolarHBondContact O-N 3.15Å; V39-L50 HydrophobicContact CG2-CG 4.41Å |
| 40 | F | 93.7 | Very high | 92 | Very high | 10 Ų | 10 | 29.8 Ų | 29.8 | 4% | 0.044 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 105 | 176.8 | -66 | -78.2 | 0 | 0 | 0 | 109 | V14 A28 V29 S31 L42 S47 L357 F369 L408 | V14-F40 HydrophobicContact CB-CZ 4.36Å; V14-F40 HydrophobicContact CG1-CE1 4.2Å; V14-F40 HydrophobicContact CG1-CE2 3.8Å; V14-F40 HydrophobicContact CG1-CZ 3.54Å; A28-F40 CarbonylContact C-O 3.58Å; A28-F40 WeakPolarHBondContact CA-O 3.19Å; V29-F40 PolarHBondContact N-O 3.03Å; V29-F40 PolarHBondContact O-N 2.88Å; S31-F40 VanDerWaalsContact OG-CE2 3.29Å; S31-F40 WeakPolarHBondContact OG-CE2 3.38Å; F40-L42 PolarHBondContact O-N 3.06Å; F40-S47 VanDerWaalsContact CD1-CB 3.4Å; F40-L357 HydrophobicContact CD2-CD2 3.7Å; F40-L357 HydrophobicContact CE2-CD2 3.83Å; F40-F369 HydrophobicContact CB-CZ 4.38Å; F40-F369 HydrophobicContact CD1-CE2 4.37Å; F40-F369 AromaticContact CD1-CZ 3.75Å; F40-F369 HydrophobicContact CD1-CZ 3.75Å; F40-F369 HydrophobicContact CE1-CZ 4.21Å; F40-F369 HydrophobicContact CG-CZ 4.04Å; F40-L408 HydrophobicContact CD1-CD2 3.89Å; F40-L408 HydrophobicContact CE1-CD2 4.01Å |
| 41 | D | 92.8 | Very high | 91.6 | Very high | 39 Ų | 39 | 33.1 Ų | 33.1 | 21% | 0.209 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 108.6 | 171.6 | -176.7 | -6.6 | 0 | 0 | 0 | 109.2 | K43 N44 N45 T46 | D41-K43 VanDerWaalsContact C-N 3.32Å; D41-K43 WeakPolarHBondContact OD1-CB 3.28Å; D41-K43 PolarHBondContact OD1-N 3.48Å; D41-N44 PolarHBondContact OD1-N 2.62Å; D41-N44 PolarHBondContact OD2-ND2 3.18Å; D41-N45 VanDerWaalsContact O-CA 3.28Å; D41-N45 WeakPolarHBondContact O-CA 3.4Å; D41-N45 PolarHBondContact O-N 3.18Å; D41-T46 PolarHBondContact N-O 3.09Å; D41-T46 PolarHBondContact O-N 3.24Å |
| 42 | L | 91.4 | Very high | 91.4 | Very high | 12 Ų | 12 | 33.3 Ų | 33.3 | 6% | 0.063 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -22.3 | -176.4 | -54.2 | 176.9 | 0 | 0 | 0 | 112 | N27 V29 F40 N45 W346 V359 F369 | N27-L42 VanDerWaalsContact O-CB 3.29Å; N27-L42 WeakPolarHBondContact O-CB 3.42Å; N27-L42 WeakPolarHBondContact O-CG 3.48Å; N27-L42 PolarHBondContact O-N 3.33Å; V29-L42 HydrophobicContact CG2-CD1 3.99Å; F40-L42 PolarHBondContact O-N 3.06Å; L42-N45 PolarHBondContact O-OD1 3.48Å; L42-W346 HydrophobicContact CB-CH2 4.4Å; L42-W346 HydrophobicContact CB-CZ3 4.08Å; L42-W346 HydrophobicContact CD1-CE3 3.74Å; L42-W346 HydrophobicContact CD1-CZ3 3.63Å; L42-W346 HydrophobicContact CG-CZ3 4.47Å; L42-V359 HydrophobicContact CD1-CB 4.25Å; L42-V359 HydrophobicContact CD1-CG1 3.97Å; L42-V359 HydrophobicContact CD1-CG2 3.95Å; L42-V359 HydrophobicContact CD2-CG2 4.41Å; L42-F369 HydrophobicContact CD2-CB 3.84Å; L42-F369 HydrophobicContact CD2-CD1 4.47Å; L42-F369 HydrophobicContact CD2-CD2 3.7Å; L42-F369 HydrophobicContact CD2-CE2 4.27Å; L42-F369 HydrophobicContact CD2-CG 3.78Å |
| 43 | K | 90.6 | Very high | 91.2 | Very high | 149 Ų | 149 | 35.6 Ų | 35.6 | 65% | 0.648 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -44.2 | -179.9 | -175.9 | 176.6 | 180 | 176.9 | 0 | 111.2 | N27 D41 | N27-K43 HydrophobicContact CB-CB 4.31Å; D41-K43 VanDerWaalsContact C-N 3.32Å; D41-K43 WeakPolarHBondContact OD1-CB 3.28Å; D41-K43 PolarHBondContact OD1-N 3.48Å |
| 44 | N | 88.3 | Confident | 91.2 | Very high | 108 Ų | 108 | 35.7 Ų | 35.7 | 58% | 0.578 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -4.9 | 178.9 | -64.4 | -41.6 | 0 | 0 | 0 | 113.1 | D41 T46 | D41-N44 PolarHBondContact OD1-N 2.62Å; D41-N44 PolarHBondContact OD2-ND2 3.18Å; N44-T46 VanDerWaalsContact C-N 3.34Å; N44-T46 HydrophobicContact CB-CG2 4.31Å; N44-T46 PolarHBondContact O-N 3.37Å |
| 45 | N | 88.9 | Confident | 91.3 | Very high | 91 Ų | 91 | 38.8 Ų | 38.8 | 49% | 0.487 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 48 | -174.1 | -68.7 | -47.8 | 0 | 0 | 0 | 112.3 | D41 L42 S406 L408 | D41-N45 VanDerWaalsContact O-CA 3.28Å; D41-N45 WeakPolarHBondContact O-CA 3.4Å; D41-N45 PolarHBondContact O-N 3.18Å; L42-N45 PolarHBondContact O-OD1 3.48Å; N45-S406 WeakPolarHBondContact O-CB 3.27Å; N45-L408 HydrophobicContact CB-CD1 4.28Å |
| 46 | T | 89.8 | Confident | 91.3 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 23% | 0.233 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 138.9 | 179.8 | 53.7 | 0 | 0 | 0 | 0 | 111.1 | D41 N44 S406 | D41-T46 PolarHBondContact N-O 3.09Å; D41-T46 PolarHBondContact O-N 3.24Å; N44-T46 VanDerWaalsContact C-N 3.34Å; N44-T46 HydrophobicContact CB-CG2 4.31Å; N44-T46 PolarHBondContact O-N 3.37Å; T46-S406 CarbonylContact C-O 3.5Å |
| 47 | S | 91.6 | Very high | 91.2 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 4% | 0.035 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 134 | 170.5 | 71.6 | 0 | 0 | 0 | 0 | 110.4 | N9 F40 S406 G407 | N9-S47 PolarHBondContact ND2-O 3.35Å; F40-S47 VanDerWaalsContact CD1-CB 3.4Å; S47-S406 PolarHBondContact N-O 3.16Å; S47-S406 PolarHBondContact OG-O 2.94Å; S47-S406 VanDerWaalsContact OG-O 3.07Å; S47-G407 VanDerWaalsContact OG-C 3.25Å; S47-G407 WeakPolarHBondContact OG-CA 3.44Å; S47-G407 PolarHBondContact OG-O 3.49Å |
| 48 | E | 90.4 | Very high | 91.2 | Very high | 82 Ų | 82 | 40.2 Ų | 40.2 | 38% | 0.383 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 124 | 174.4 | -64.3 | -167.2 | 160.9 | 0 | 0 | 110.2 | S38 V39 R87 | S38-E48 WeakPolarHBondContact CA-O 3.24Å; V39-E48 PolarHBondContact N-O 3Å; V39-E48 PolarHBondContact O-N 3.15Å; E48-R87 IonicContact OE1-NH1 2.88Å; E48-R87 IonicContact OE1-NH2 3.43Å; E48-R87 IonicContact OE2-CZ 2.67Å; E48-R87 IonicContact OE2-NH1 3.3Å; E48-R87 PolarHBondContact OE2-NH1 3.06Å; E48-R87 IonicContact OE2-NH2 3.84Å; E48-R87 PolarHBondContact OE2-NH2 2.9Å |
| 49 | T | 92.3 | Very high | 91.1 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 4% | 0.043 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 129 | 168.9 | -50.2 | 0 | 0 | 0 | 0 | 110.4 | F7 N9 L10 R36 S38 | F7-T49 HydrophobicContact CE1-CG2 3.95Å; F7-T49 HydrophobicContact CZ-CG2 3.82Å; N9-T49 PolarHBondContact OD1-N 3.45Å; N9-T49 PolarHBondContact OD1-OG1 3.19Å; L10-T49 HydrophobicContact CB-CG2 4.05Å; L10-T49 WeakPolarHBondContact CB-OG1 3.33Å; L10-T49 PolarHBondContact N-OG1 3.34Å; L10-T49 VanDerWaalsContact N-OG1 3.08Å; L10-T49 PolarHBondContact O-OG1 2.86Å; R36-T49 HydrophobicContact CB-CG2 3.81Å; S38-T49 PolarHBondContact OG-OG1 3.25Å |
| 50 | L | 90.6 | Very high | 91 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | trans | -64.4 | 141 | 176.4 | -64.1 | 177.1 | 0 | 0 | 0 | 109.9 | V37 V39 I52 L84 R87 | V37-L50 HydrophobicContact CB-CD1 4.28Å; V37-L50 HydrophobicContact CG1-CD1 4.37Å; V37-L50 PolarHBondContact O-N 3.31Å; V39-L50 HydrophobicContact CG2-CG 4.41Å; L50-I52 HydrophobicContact CB-CD1 4.09Å; L50-I52 HydrophobicContact CB-CG1 3.79Å; L50-I52 HydrophobicContact CD1-CD1 4.05Å; L50-I52 PolarHBondContact O-N 3.17Å; L50-L84 HydrophobicContact CD1-CD2 3.8Å; L50-R87 HydrophobicContact CD2-CB 4.12Å; L50-R87 HydrophobicContact CD2-CG 3.97Å | ||
| 51 | P | 87.1 | Confident | 91 | Very high | 77 Ų | 77 | 39.8 Ų | 39.8 | 50% | 0.5 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -76.4 | 33.9 | 178.3 | 35.8 | -37.6 | 0 | 0 | 0 | 112 | F7 R87 | F7-P51 HydrophobicContact CD1-CB 4.39Å; P51-R87 HydrophobicContact CG-CB 4.36Å |
| 52 | I | 89.4 | Confident | 90.9 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | trans | -100.6 | 151.8 | 172.7 | 66 | 178 | 0 | 0 | 0 | 108.1 | R36 V37 L50 V72 V82 V89 | R36-I52 WeakPolarHBondContact CG-O 3.28Å; R36-I52 PolarHBondContact NH1-O 3.14Å; R36-I52 VanDerWaalsContact NH1-O 3.17Å; V37-I52 HydrophobicContact CB-CD1 4.27Å; V37-I52 HydrophobicContact CG2-CD1 4.17Å; L50-I52 HydrophobicContact CB-CD1 4.09Å; L50-I52 HydrophobicContact CB-CG1 3.79Å; L50-I52 HydrophobicContact CD1-CD1 4.05Å; L50-I52 PolarHBondContact O-N 3.17Å; I52-V72 HydrophobicContact CD1-CG2 4.37Å; I52-V82 HydrophobicContact CD1-CG1 4.19Å; I52-V82 HydrophobicContact CD1-CG2 3.86Å; I52-V82 HydrophobicContact CG2-CG1 4.05Å; I52-V82 HydrophobicContact CG2-CG2 4.26Å; I52-V89 HydrophobicContact CB-CG2 4.27Å; I52-V89 HydrophobicContact CG2-CG2 3.72Å | ||
| 53 | S | 90 | Very high | 90.9 | Very high | 48 Ų | 48 | 38.7 Ų | 38.7 | 34% | 0.336 | 21% | 0.211 | S | C | . | . | trans | -147.8 | 131.4 | 173.2 | 52 | 0 | 0 | 0 | 0 | 108.3 | N35 C649 | N35-S53 WeakPolarHBondContact O-CA 3.3Å; S53-C649 WeakPolarHBondContact CB-SG 3.18Å; S53-C649 PolarHBondContact OG-SG 2.86Å | ||
| 54 | T | 92.1 | Very high | 90.9 | Very high | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.043 | 18% | 0.183 | C | C | . | . | trans | -94.9 | 173.7 | 172 | 66 | 0 | 0 | 0 | 0 | 110.6 | N35 K56 I58 V72 D74 L80 | N35-T54 WeakPolarHBondContact CA-OG1 3.46Å; N35-T54 WeakPolarHBondContact CB-O 3.39Å; N35-T54 WeakPolarHBondContact CB-OG1 3.36Å; N35-T54 PolarHBondContact ND2-O 3.45Å; N35-T54 PolarHBondContact O-N 3.13Å; N35-T54 PolarHBondContact O-OG1 2.71Å; T54-K56 PolarHBondContact OG1-O 3.14Å; T54-I58 HydrophobicContact CG2-CD1 4.46Å; T54-I58 HydrophobicContact CG2-CG1 4.19Å; T54-V72 HydrophobicContact CG2-CG1 3.95Å; T54-D74 WeakPolarHBondContact CB-OD1 3.33Å; T54-D74 WeakPolarHBondContact CB-OD2 3.43Å; T54-D74 WeakPolarHBondContact CG2-OD1 3.27Å; T54-D74 PolarHBondContact OG1-OD1 2.85Å; T54-L80 HydrophobicContact CG2-CD1 3.43Å; T54-L80 VanDerWaalsContact CG2-CD1 3.43Å; T54-L80 HydrophobicContact CG2-CG 3.91Å | ||
| 55 | T | 90.9 | Very high | 90.9 | Very high | 68 Ų | 68 | 29 Ų | 29 | 42% | 0.417 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -84 | -24.7 | -174.3 | 48.4 | 0 | 0 | 0 | 0 | 113.1 | D74 N650 L651 | T55-D74 PolarHBondContact N-OD2 2.96Å; T55-D74 PolarHBondContact OG1-OD2 3.5Å; T55-N650 CarbonylContact O-C 3.57Å; T55-N650 WeakPolarHBondContact O-CA 3.06Å; T55-L651 WeakPolarHBondContact O-CB 3.45Å; T55-L651 PolarHBondContact O-N 3.19Å |
| 56 | K | 91.8 | Very high | 90.7 | Very high | 37 Ų | 37 | 29.8 Ų | 29.8 | 16% | 0.161 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -133.3 | -178.3 | 176.4 | -70.6 | -167.4 | -177.9 | -176.3 | 0 | 110.2 | N35 T54 D74 E75 D76 N650 L651 S652 | N35-K56 WeakPolarHBondContact CB-O 3.36Å; T54-K56 PolarHBondContact OG1-O 3.14Å; K56-D74 HydrophobicContact CB-CB 4.26Å; K56-D74 PolarHBondContact N-OD2 3.27Å; K56-E75 HydrophobicContact CB-CB 4.33Å; K56-E75 HydrophobicContact CD-CB 4.3Å; K56-D76 WeakPolarHBondContact CD-OD2 3.34Å; K56-D76 VanDerWaalsContact CE-CG 3.49Å; K56-D76 WeakPolarHBondContact CE-OD2 3.46Å; K56-D76 IonicContact NZ-OD1 2.78Å; K56-D76 PolarHBondContact NZ-OD1 3.22Å; K56-D76 IonicContact NZ-OD2 2.98Å; K56-D76 PolarHBondContact NZ-OD2 3.06Å; K56-N650 WeakPolarHBondContact CA-OD1 3.34Å; K56-L651 HydrophobicContact CG-CB 4.22Å; K56-S652 WeakPolarHBondContact CB-OG 3.35Å |
| 57 | N | 92.6 | Very high | 90.5 | Very high | 15 Ų | 15 | 28.9 Ų | 28.9 | 8% | 0.08 | 17% | 0.172 | C | C | . | . | trans | -62.8 | 148.7 | 173.2 | -52.7 | -48.2 | 0 | 0 | 0 | 111.1 | G34 D74 E75 N650 S652 | G34-N57 WeakPolarHBondContact O-CA 3.22Å; N57-D74 WeakPolarHBondContact O-CA 3.15Å; N57-E75 HydrophobicContact CB-CG 4.41Å; N57-E75 WeakPolarHBondContact CB-OE1 3.4Å; N57-E75 PolarHBondContact ND2-OE1 2.95Å; N57-E75 PolarHBondContact O-N 3.3Å; N57-N650 PolarHBondContact OD1-ND2 2.79Å; N57-S652 PolarHBondContact N-OG 3.43Å; N57-S652 VanDerWaalsContact N-OG 3.16Å; N57-S652 WeakPolarHBondContact ND2-CB 3.38Å; N57-S652 PolarHBondContact ND2-OG 2.91Å | ||
| 58 | I | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 132.4 | 178.2 | -63.7 | 164.2 | 0 | 0 | 0 | 109 | P32 G34 R36 V37 T54 V61 V72 V73 | P32-I58 HydrophobicContact CB-CB 4.02Å; P32-I58 HydrophobicContact CB-CG2 3.92Å; G34-I58 PolarHBondContact O-N 2.9Å; R36-I58 WeakPolarHBondContact O-CD1 3.44Å; V37-I58 HydrophobicContact CG2-CD1 3.65Å; T54-I58 HydrophobicContact CG2-CD1 4.46Å; T54-I58 HydrophobicContact CG2-CG1 4.19Å; I58-V61 HydrophobicContact CG2-CG2 3.69Å; I58-V72 HydrophobicContact CB-CG1 4.33Å; I58-V72 HydrophobicContact CD1-CG1 3.48Å; I58-V72 VanDerWaalsContact CD1-CG1 3.48Å; I58-V72 HydrophobicContact CG1-CG1 3.6Å; I58-V72 HydrophobicContact CG2-CG1 3.75Å; I58-V73 WeakPolarHBondContact CA-O 3.18Å |
| 59 | T | 91.1 | Very high | 90.3 | Very high | 29 Ų | 29 | 27.1 Ų | 27.1 | 18% | 0.178 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -43.6 | 174.4 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | G18 N19 V73 E75 | G18-T59 WeakPolarHBondContact CA-O 3.25Å; N19-T59 PolarHBondContact N-O 3.34Å; T59-V73 PolarHBondContact N-O 3.44Å; T59-V73 PolarHBondContact OG1-O 3.37Å; T59-E75 HydrophobicContact CG2-CB 4.32Å; T59-E75 HydrophobicContact CG2-CG 3.77Å |
| 60 | C | 91 | Very high | 90.2 | Very high | 8 Ų | 8 | 26.9 Ų | 26.9 | 5% | 0.054 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 134.6 | -174.2 | -65.6 | 0 | 0 | 0 | 0 | 111.6 | N19 V73 S100 I102 | N19-C60 WeakPolarHBondContact OD1-CA 3.45Å; C60-V73 HydrophobicContact CB-CB 4.46Å; C60-V73 PolarHBondContact N-O 2.83Å; C60-V73 PolarHBondContact O-N 3.36Å; C60-S100 PolarHBondContact SG-O 3.31Å; C60-S100 VanDerWaalsContact SG-O 3.34Å; C60-I102 HydrophobicContact CB-CD1 4.1Å; C60-I102 HydrophobicContact CB-CG1 4.24Å |
| 61 | V | 93.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 118.9 | 168.7 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | N19 N21 I30 V37 I58 V63 I71 V72 | N19-V61 PolarHBondContact ND2-O 2.74Å; N19-V61 PolarHBondContact OD1-N 2.84Å; N19-V61 PolarHBondContact OD1-O 3.1Å; N21-V61 PolarHBondContact ND2-O 3.07Å; I30-V61 HydrophobicContact CG2-CG1 4.44Å; V37-V61 HydrophobicContact CG2-CG2 4.34Å; I58-V61 HydrophobicContact CG2-CG2 3.69Å; V61-V63 HydrophobicContact CG1-CG2 4.14Å; V61-I71 CarbonylContact C-O 3.5Å; V61-I71 WeakPolarHBondContact CA-O 3.37Å; V61-V72 HydrophobicContact CG1-CG2 4.43Å; V61-V72 HydrophobicContact CG2-CG1 4.46Å |
| 62 | G | 91.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | A70 I71 F104 | G62-A70 CarbonylContact O-C 3.56Å; G62-A70 VanDerWaalsContact O-CA 3.25Å; G62-A70 WeakPolarHBondContact O-CA 3.46Å; G62-I71 PolarHBondContact N-O 3.43Å; G62-I71 PolarHBondContact O-N 3.17Å; G62-F104 WeakPolarHBondContact O-CE2 3.44Å |
| 63 | V | 92.1 | Very high | 91 | Very high | 25 Ų | 25 | 22.7 Ų | 22.7 | 15% | 0.152 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 134.7 | 177.2 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | N21 I30 V61 L84 F104 | N21-V63 HydrophobicContact CB-CG2 3.9Å; I30-V63 HydrophobicContact CD1-CG1 4.41Å; I30-V63 HydrophobicContact CD1-CG2 3.84Å; V61-V63 HydrophobicContact CG1-CG2 4.14Å; V63-L84 HydrophobicContact CG1-CD1 4.1Å; V63-F104 VanDerWaalsContact C-CD2 3.45Å; V63-F104 VanDerWaalsContact O-CD2 3.27Å; V63-F104 WeakPolarHBondContact O-CD2 3.33Å |
| 64 | S | 91.3 | Very high | 91.1 | Very high | 9 Ų | 9 | 20.5 Ų | 20.5 | 6% | 0.063 | 12% | 0.123 | C | C | . | . | trans | -65.1 | 145.8 | 174.4 | 57.7 | 0 | 0 | 0 | 0 | 111.1 | D66 G67 S68 L69 | S64-D66 PolarHBondContact O-N 3.04Å; S64-D66 VanDerWaalsContact O-N 3.11Å; S64-G67 PolarHBondContact O-N 3.04Å; S64-S68 PolarHBondContact OG-N 2.91Å; S64-L69 WeakPolarHBondContact CB-O 3.43Å; S64-L69 PolarHBondContact N-O 2.84Å; S64-L69 PolarHBondContact OG-N 3.25Å; S64-L69 PolarHBondContact OG-O 2.91Å | ||
| 65 | P | 87.5 | Confident | 91 | Very high | 44 Ų | 44 | 22.8 Ų | 22.8 | 29% | 0.286 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.8 | 176.3 | -22.8 | 31.8 | 0 | 0 | 0 | 113.8 | K24 G67 F104 S105 | K24-P65 VanDerWaalsContact CD-O 3.23Å; K24-P65 WeakPolarHBondContact CD-O 3.46Å; P65-G67 VanDerWaalsContact C-N 3.28Å; P65-F104 HydrophobicContact CG-CB 4.39Å; P65-S105 WeakPolarHBondContact CG-O 3.45Å |
| 66 | D | 85.1 | Confident | 90.9 | Very high | 109 Ų | 109 | 23 Ų | 23 | 58% | 0.583 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -14.6 | 174.2 | -73.4 | -21.8 | 0 | 0 | 0 | 113.5 | S64 S68 | S64-D66 PolarHBondContact O-N 3.04Å; S64-D66 VanDerWaalsContact O-N 3.11Å; D66-S68 PolarHBondContact O-N 2.73Å |
| 67 | G | 84.1 | Confident | 90.8 | Very high | 18 Ų | 18 | 21.2 Ų | 21.2 | 19% | 0.186 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 71.7 | 8.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S64 P65 | S64-G67 PolarHBondContact O-N 3.04Å; P65-G67 VanDerWaalsContact C-N 3.28Å |
| 68 | S | 87.6 | Confident | 90.8 | Very high | 26 Ų | 26 | 21.5 Ų | 21.5 | 18% | 0.182 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -92.1 | -34.4 | -174.5 | 66 | 0 | 0 | 0 | 0 | 113.6 | S64 D66 S83 L84 | S64-S68 PolarHBondContact OG-N 2.91Å; D66-S68 PolarHBondContact O-N 2.73Å; S68-S83 WeakPolarHBondContact O-CA 3.27Å; S68-S83 PolarHBondContact O-OG 3.41Å; S68-L84 PolarHBondContact O-N 2.98Å |
| 69 | L | 90.3 | Very high | 90.7 | Very high | 24 Ų | 24 | 21.6 Ų | 21.6 | 13% | 0.126 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 146.2 | -178.6 | -62.7 | 172.8 | 0 | 0 | 0 | 110.8 | S64 L81 V82 L90 | S64-L69 WeakPolarHBondContact CB-O 3.43Å; S64-L69 PolarHBondContact N-O 2.84Å; S64-L69 PolarHBondContact OG-N 3.25Å; S64-L69 PolarHBondContact OG-O 2.91Å; L69-L81 HydrophobicContact CD2-CD1 4.48Å; L69-V82 CarbonylContact C-O 3.59Å; L69-V82 WeakPolarHBondContact CA-O 3.46Å; L69-L90 HydrophobicContact CD2-CD1 3.47Å; L69-L90 VanDerWaalsContact CD2-CD1 3.47Å |
| 70 | A | 91.6 | Very high | 90.8 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 3% | 0.025 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 142.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110 | G62 V82 L84 | G62-A70 CarbonylContact O-C 3.56Å; G62-A70 VanDerWaalsContact O-CA 3.25Å; G62-A70 WeakPolarHBondContact O-CA 3.46Å; A70-V82 PolarHBondContact N-O 3.38Å; A70-V82 PolarHBondContact O-N 2.9Å; A70-L84 HydrophobicContact CB-CD1 4.16Å; A70-L84 HydrophobicContact CB-CD2 4.01Å; A70-L84 HydrophobicContact CB-CG 4.01Å |
| 71 | I | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 119.9 | 169.8 | -62.8 | 170.5 | 0 | 0 | 0 | 106.7 | V61 G62 V73 A79 L80 L81 I102 F104 F111 F134 | V61-I71 CarbonylContact C-O 3.5Å; V61-I71 WeakPolarHBondContact CA-O 3.37Å; G62-I71 PolarHBondContact N-O 3.43Å; G62-I71 PolarHBondContact O-N 3.17Å; I71-V73 HydrophobicContact CG2-CG2 3.91Å; I71-A79 HydrophobicContact CG2-CB 4.49Å; I71-L80 WeakPolarHBondContact CA-O 3.37Å; I71-L81 HydrophobicContact CG1-CD1 3.88Å; I71-I102 HydrophobicContact CG2-CD1 4.2Å; I71-F104 HydrophobicContact CD1-CE1 4.22Å; I71-F104 HydrophobicContact CD1-CE2 3.93Å; I71-F104 HydrophobicContact CD1-CZ 3.41Å; I71-F104 VanDerWaalsContact CD1-CZ 3.41Å; I71-F104 HydrophobicContact CG1-CE2 4.14Å; I71-F104 HydrophobicContact CG1-CZ 3.75Å; I71-F111 HydrophobicContact CD1-CD1 4.14Å; I71-F111 HydrophobicContact CD1-CD2 3.9Å; I71-F111 HydrophobicContact CD1-CE1 3.96Å; I71-F111 HydrophobicContact CD1-CE2 3.71Å; I71-F111 HydrophobicContact CD1-CG 4.11Å; I71-F111 HydrophobicContact CD1-CZ 3.75Å; I71-F134 HydrophobicContact CD1-CE1 3.89Å; I71-F134 HydrophobicContact CD1-CZ 4.01Å; I71-F134 HydrophobicContact CG1-CE1 4.42Å; I71-F134 HydrophobicContact CG1-CZ 4.16Å |
| 72 | V | 94.4 | Very high | 90.7 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 128.1 | -179.9 | -179.1 | 0 | 0 | 0 | 0 | 108 | V37 I52 T54 I58 V61 A79 L80 V82 | V37-V72 HydrophobicContact CG2-CG1 4.12Å; V37-V72 HydrophobicContact CG2-CG2 3.96Å; I52-V72 HydrophobicContact CD1-CG2 4.37Å; T54-V72 HydrophobicContact CG2-CG1 3.95Å; I58-V72 HydrophobicContact CB-CG1 4.33Å; I58-V72 HydrophobicContact CD1-CG1 3.48Å; I58-V72 VanDerWaalsContact CD1-CG1 3.48Å; I58-V72 HydrophobicContact CG1-CG1 3.6Å; I58-V72 HydrophobicContact CG2-CG1 3.75Å; V61-V72 HydrophobicContact CG1-CG2 4.43Å; V61-V72 HydrophobicContact CG2-CG1 4.46Å; V72-A79 CarbonylContact O-C 3.59Å; V72-A79 VanDerWaalsContact O-CA 3.27Å; V72-A79 WeakPolarHBondContact O-CA 3.28Å; V72-L80 HydrophobicContact CB-CB 4.49Å; V72-L80 PolarHBondContact N-O 3.43Å; V72-L80 PolarHBondContact O-N 2.99Å; V72-V82 HydrophobicContact CG2-CG2 4.34Å |
| 73 | V | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136.4 | -175.6 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | I58 T59 C60 I71 A78 A79 F95 V99 I102 | I58-V73 WeakPolarHBondContact CA-O 3.18Å; T59-V73 PolarHBondContact N-O 3.44Å; T59-V73 PolarHBondContact OG1-O 3.37Å; C60-V73 HydrophobicContact CB-CB 4.46Å; C60-V73 PolarHBondContact N-O 2.83Å; C60-V73 PolarHBondContact O-N 3.36Å; I71-V73 HydrophobicContact CG2-CG2 3.91Å; V73-A78 WeakPolarHBondContact CA-O 3.43Å; V73-A79 HydrophobicContact CG2-CB 3.65Å; V73-F95 HydrophobicContact CG1-CD2 4.49Å; V73-F95 HydrophobicContact CG2-CE2 4.18Å; V73-V99 HydrophobicContact CG1-CB 3.91Å; V73-V99 HydrophobicContact CG1-CG2 3.94Å; V73-I102 HydrophobicContact CB-CD1 3.96Å; V73-I102 HydrophobicContact CG2-CD1 3.2Å |
| 74 | D | 93.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.011 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 167.4 | 179.4 | -75.6 | -0.1 | 0 | 0 | 0 | 113.1 | T54 T55 K56 N57 D76 G77 A78 | T54-D74 WeakPolarHBondContact CB-OD1 3.33Å; T54-D74 WeakPolarHBondContact CB-OD2 3.43Å; T54-D74 WeakPolarHBondContact CG2-OD1 3.27Å; T54-D74 PolarHBondContact OG1-OD1 2.85Å; T55-D74 PolarHBondContact N-OD2 2.96Å; T55-D74 PolarHBondContact OG1-OD2 3.5Å; K56-D74 HydrophobicContact CB-CB 4.26Å; K56-D74 PolarHBondContact N-OD2 3.27Å; N57-D74 WeakPolarHBondContact O-CA 3.15Å; D74-D76 PolarHBondContact O-N 3.36Å; D74-G77 PolarHBondContact O-N 2.96Å; D74-A78 HydrophobicContact CB-CB 4.25Å; D74-A78 PolarHBondContact N-O 3.46Å |
| 75 | E | 89.6 | Confident | 90.3 | Very high | 55 Ų | 55 | 27 Ų | 27 | 26% | 0.257 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.3 | -40.4 | 170.2 | -71.7 | 168.2 | 176.2 | 0 | 0 | 113.6 | K56 N57 T59 G77 P98 S652 | K56-E75 HydrophobicContact CB-CB 4.33Å; K56-E75 HydrophobicContact CD-CB 4.3Å; N57-E75 HydrophobicContact CB-CG 4.41Å; N57-E75 WeakPolarHBondContact CB-OE1 3.4Å; N57-E75 PolarHBondContact ND2-OE1 2.95Å; N57-E75 PolarHBondContact O-N 3.3Å; T59-E75 HydrophobicContact CG2-CB 4.32Å; T59-E75 HydrophobicContact CG2-CG 3.77Å; E75-G77 VanDerWaalsContact C-N 3.31Å; E75-G77 PolarHBondContact O-N 3.27Å; E75-P98 WeakPolarHBondContact O-CB 3.46Å; E75-S652 PolarHBondContact OE2-OG 3.07Å |
| 76 | D | 88.9 | Confident | 90.2 | Very high | 72 Ų | 72 | 29.3 Ų | 29.3 | 39% | 0.385 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -3 | -179.2 | -73.6 | -1.4 | 0 | 0 | 0 | 114 | K56 D74 | K56-D76 WeakPolarHBondContact CD-OD2 3.34Å; K56-D76 VanDerWaalsContact CE-CG 3.49Å; K56-D76 WeakPolarHBondContact CE-OD2 3.46Å; K56-D76 IonicContact NZ-OD1 2.78Å; K56-D76 PolarHBondContact NZ-OD1 3.22Å; K56-D76 IonicContact NZ-OD2 2.98Å; K56-D76 PolarHBondContact NZ-OD2 3.06Å; D74-D76 PolarHBondContact O-N 3.36Å |
| 77 | G | 89.1 | Confident | 90.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | 80.8 | 16.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D74 E75 F95 K97 | D74-G77 PolarHBondContact O-N 2.96Å; E75-G77 VanDerWaalsContact C-N 3.31Å; E75-G77 PolarHBondContact O-N 3.27Å; G77-F95 WeakPolarHBondContact O-CB 3.43Å; G77-F95 WeakPolarHBondContact O-CD2 3.16Å; G77-F95 PolarHBondContact O-N 3.18Å; G77-K97 WeakPolarHBondContact CA-O 3.44Å | ||
| 78 | A | 92.4 | Very high | 90.5 | Very high | 22 Ų | 22 | 30.6 Ų | 30.6 | 18% | 0.182 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 129.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | V73 D74 H94 | V73-A78 WeakPolarHBondContact CA-O 3.43Å; D74-A78 HydrophobicContact CB-CB 4.25Å; D74-A78 PolarHBondContact N-O 3.46Å; A78-H94 WeakPolarHBondContact CA-ND1 3.31Å; A78-H94 PolarHBondContact N-ND1 3.36Å |
| 79 | A | 92.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I71 V72 V73 F93 F95 | I71-A79 HydrophobicContact CG2-CB 4.49Å; V72-A79 CarbonylContact O-C 3.59Å; V72-A79 VanDerWaalsContact O-CA 3.27Å; V72-A79 WeakPolarHBondContact O-CA 3.28Å; V73-A79 HydrophobicContact CG2-CB 3.65Å; A79-F93 WeakPolarHBondContact CA-O 2.97Å; A79-F93 HydrophobicContact CB-CB 4.37Å; A79-F93 PolarHBondContact N-O 3.25Å; A79-F93 PolarHBondContact O-N 3.5Å; A79-F93 VanDerWaalsContact O-O 3.08Å; A79-F95 HydrophobicContact CB-CD2 3.86Å; A79-F95 HydrophobicContact CB-CE2 3.44Å; A79-F95 VanDerWaalsContact CB-CE2 3.44Å; A79-F95 HydrophobicContact CB-CZ 4.44Å |
| 80 | L | 92.8 | Very high | 90.6 | Very high | 11 Ų | 11 | 32.1 Ų | 32.1 | 6% | 0.058 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.4 | 171.8 | -58.5 | -172.4 | 0 | 0 | 0 | 109.4 | T54 I71 V72 V82 V89 H92 | T54-L80 HydrophobicContact CG2-CD1 3.43Å; T54-L80 VanDerWaalsContact CG2-CD1 3.43Å; T54-L80 HydrophobicContact CG2-CG 3.91Å; I71-L80 WeakPolarHBondContact CA-O 3.37Å; V72-L80 HydrophobicContact CB-CB 4.49Å; V72-L80 PolarHBondContact N-O 3.43Å; V72-L80 PolarHBondContact O-N 2.99Å; L80-V82 HydrophobicContact CB-CG2 4.01Å; L80-V89 HydrophobicContact CB-CG1 4.48Å; L80-V89 HydrophobicContact CD1-CG2 4.42Å; L80-V89 HydrophobicContact CD2-CG1 4.26Å; L80-H92 WeakPolarHBondContact CD2-CE1 3.02Å; L80-H92 WeakPolarHBondContact CD2-ND1 3.33Å |
| 81 | L | 92.1 | Very high | 90.5 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 120.5 | 163.4 | -178.7 | 67.2 | 0 | 0 | 0 | 108.5 | L69 I71 L90 H91 P125 A133 F134 | L69-L81 HydrophobicContact CD2-CD1 4.48Å; I71-L81 HydrophobicContact CG1-CD1 3.88Å; L81-L90 HydrophobicContact CB-CB 4.43Å; L81-L90 HydrophobicContact CD2-CB 3.97Å; L81-L90 HydrophobicContact CD2-CD1 4.21Å; L81-L90 HydrophobicContact CG-CB 4.08Å; L81-L90 HydrophobicContact CG-CD1 4.24Å; L81-L90 PolarHBondContact O-N 3.35Å; L81-H91 HydrophobicContact CB-CB 4.05Å; L81-H91 HydrophobicContact CD2-CB 4.19Å; L81-H91 PolarHBondContact N-O 3.15Å; L81-H91 PolarHBondContact O-N 2.9Å; L81-P125 HydrophobicContact CD1-CG 3.58Å; L81-P125 HydrophobicContact CD2-CB 3.69Å; L81-P125 HydrophobicContact CD2-CG 3.38Å; L81-P125 HydrophobicContact CG-CG 4.11Å; L81-A133 HydrophobicContact CD2-CB 4.47Å; L81-F134 HydrophobicContact CB-CZ 4.1Å; L81-F134 HydrophobicContact CD1-CE1 4.45Å; L81-F134 HydrophobicContact CD1-CZ 4.35Å |
| 82 | V | 91.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.5 | -174.3 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | I52 L69 A70 V72 L80 | I52-V82 HydrophobicContact CD1-CG1 4.19Å; I52-V82 HydrophobicContact CD1-CG2 3.86Å; I52-V82 HydrophobicContact CG2-CG1 4.05Å; I52-V82 HydrophobicContact CG2-CG2 4.26Å; L69-V82 CarbonylContact C-O 3.59Å; L69-V82 WeakPolarHBondContact CA-O 3.46Å; A70-V82 PolarHBondContact N-O 3.38Å; A70-V82 PolarHBondContact O-N 2.9Å; V72-V82 HydrophobicContact CG2-CG2 4.34Å; L80-V82 HydrophobicContact CB-CG2 4.01Å |
| 83 | S | 90.4 | Very high | 90.2 | Very high | 13 Ų | 13 | 42 Ų | 42 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 121.1 | 164.4 | -178 | 0 | 0 | 0 | 0 | 109.7 | S68 I85 T86 R87 A88 | S68-S83 WeakPolarHBondContact O-CA 3.27Å; S68-S83 PolarHBondContact O-OG 3.41Å; S83-I85 VanDerWaalsContact C-N 3.27Å; S83-I85 PolarHBondContact O-N 2.89Å; S83-I85 PolarHBondContact OG-N 2.97Å; S83-T86 WeakPolarHBondContact CB-OG1 3.02Å; S83-T86 PolarHBondContact OG-N 3.45Å; S83-R87 VanDerWaalsContact O-CA 3.24Å; S83-R87 WeakPolarHBondContact O-CA 3.48Å; S83-R87 PolarHBondContact O-N 3.34Å; S83-A88 PolarHBondContact N-O 3.44Å; S83-A88 PolarHBondContact O-N 2.99Å |
| 84 | L | 87.5 | Confident | 90.1 | Very high | 34 Ų | 34 | 45.7 Ų | 45.7 | 18% | 0.178 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -26.5 | 176.5 | -66.5 | 176.9 | 0 | 0 | 0 | 111.9 | I30 L50 V63 S68 A70 | I30-L84 HydrophobicContact CD1-CD1 4.11Å; L50-L84 HydrophobicContact CD1-CD2 3.8Å; V63-L84 HydrophobicContact CG1-CD1 4.1Å; S68-L84 PolarHBondContact O-N 2.98Å; A70-L84 HydrophobicContact CB-CD1 4.16Å; A70-L84 HydrophobicContact CB-CD2 4.01Å; A70-L84 HydrophobicContact CB-CG 4.01Å |
| 85 | I | 87.5 | Confident | 89.9 | Confident | 127 Ų | 127 | 46 Ų | 46 | 65% | 0.651 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -54.3 | 180 | -57.7 | 170.5 | 0 | 0 | 0 | 110.8 | S83 R87 | S83-I85 VanDerWaalsContact C-N 3.27Å; S83-I85 PolarHBondContact O-N 2.89Å; S83-I85 PolarHBondContact OG-N 2.97Å; I85-R87 VanDerWaalsContact C-N 3.31Å |
| 86 | T | 85.6 | Confident | 89.8 | Confident | 92 Ų | 92 | 50.4 Ų | 50.4 | 56% | 0.564 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -7.5 | -178.5 | 67.7 | 0 | 0 | 0 | 0 | 112.9 | S83 A88 | S83-T86 WeakPolarHBondContact CB-OG1 3.02Å; S83-T86 PolarHBondContact OG-N 3.45Å; T86-A88 PolarHBondContact O-N 3.16Å |
| 87 | R | 87.9 | Confident | 89.8 | Confident | 117 Ų | 117 | 50.8 Ų | 50.8 | 44% | 0.442 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 32.4 | -179.4 | -48.5 | 175.2 | -174.3 | -160.5 | -8.7 | 112.9 | E48 L50 P51 S83 I85 | E48-R87 IonicContact OE1-NH1 2.88Å; E48-R87 IonicContact OE1-NH2 3.43Å; E48-R87 IonicContact OE2-CZ 2.67Å; E48-R87 IonicContact OE2-NH1 3.3Å; E48-R87 PolarHBondContact OE2-NH1 3.06Å; E48-R87 IonicContact OE2-NH2 3.84Å; E48-R87 PolarHBondContact OE2-NH2 2.9Å; L50-R87 HydrophobicContact CD2-CB 4.12Å; L50-R87 HydrophobicContact CD2-CG 3.97Å; P51-R87 HydrophobicContact CG-CB 4.36Å; S83-R87 VanDerWaalsContact O-CA 3.24Å; S83-R87 WeakPolarHBondContact O-CA 3.48Å; S83-R87 PolarHBondContact O-N 3.34Å; I85-R87 VanDerWaalsContact C-N 3.31Å |
| 88 | A | 87.9 | Confident | 89.7 | Confident | 36 Ų | 36 | 54.6 Ų | 54.6 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 148.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S83 T86 | S83-A88 PolarHBondContact N-O 3.44Å; S83-A88 PolarHBondContact O-N 2.99Å; T86-A88 PolarHBondContact O-N 3.16Å |
| 89 | V | 90.4 | Very high | 89.7 | Confident | 38 Ų | 38 | 53.9 Ų | 53.9 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 128.2 | 169.8 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | I52 L80 R129 | I52-V89 HydrophobicContact CB-CG2 4.27Å; I52-V89 HydrophobicContact CG2-CG2 3.72Å; L80-V89 HydrophobicContact CB-CG1 4.48Å; L80-V89 HydrophobicContact CD1-CG2 4.42Å; L80-V89 HydrophobicContact CD2-CG1 4.26Å; V89-R129 PolarHBondContact O-NH2 3.14Å |
| 90 | L | 89.1 | Confident | 89.6 | Confident | 44 Ų | 44 | 56.2 Ų | 56.2 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -44.7 | 178.6 | -63.8 | -179.4 | 0 | 0 | 0 | 111.5 | L69 L81 | L69-L90 HydrophobicContact CD2-CD1 3.47Å; L69-L90 VanDerWaalsContact CD2-CD1 3.47Å; L81-L90 HydrophobicContact CB-CB 4.43Å; L81-L90 HydrophobicContact CD2-CB 3.97Å; L81-L90 HydrophobicContact CD2-CD1 4.21Å; L81-L90 HydrophobicContact CG-CB 4.08Å; L81-L90 HydrophobicContact CG-CD1 4.24Å; L81-L90 PolarHBondContact O-N 3.35Å |
| 91 | H | 89.5 | Confident | 89.4 | Confident | 32 Ų | 32 | 56.9 Ų | 56.9 | 15% | 0.148 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 149.5 | -175.2 | -170.4 | -86.5 | 0 | 0 | 0 | 111.4 | L81 F131 A133 | L81-H91 HydrophobicContact CB-CB 4.05Å; L81-H91 HydrophobicContact CD2-CB 4.19Å; L81-H91 PolarHBondContact N-O 3.15Å; L81-H91 PolarHBondContact O-N 2.9Å; H91-F131 PolarHBondContact NE2-O 3.01Å; H91-A133 HydrophobicContact CB-CB 4.12Å |
| 92 | H | 90.9 | Very high | 89.5 | Confident | 134 Ų | 134 | 57 Ų | 57 | 62% | 0.62 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.1 | 174.1 | -68.3 | -101.3 | 0 | 0 | 0 | 108.9 | L80 | L80-H92 WeakPolarHBondContact CD2-CE1 3.02Å; L80-H92 WeakPolarHBondContact CD2-ND1 3.33Å |
| 93 | F | 91.6 | Very high | 89.5 | Confident | 48 Ų | 48 | 61.7 Ų | 61.7 | 21% | 0.211 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 156 | 178 | -172.2 | -102.9 | 0 | 0 | 0 | 110.4 | A79 F95 F134 | A79-F93 WeakPolarHBondContact CA-O 2.97Å; A79-F93 HydrophobicContact CB-CB 4.37Å; A79-F93 PolarHBondContact N-O 3.25Å; A79-F93 PolarHBondContact O-N 3.5Å; A79-F93 VanDerWaalsContact O-O 3.08Å; F93-F95 AromaticContact CD1-CD1 3.96Å; F93-F95 HydrophobicContact CD1-CD1 3.96Å; F93-F95 HydrophobicContact CD1-CD2 4.24Å; F93-F95 AromaticContact CD1-CE1 3.72Å; F93-F95 HydrophobicContact CD1-CE1 3.72Å; F93-F95 HydrophobicContact CD1-CE2 4.04Å; F93-F95 HydrophobicContact CD1-CG 4.2Å; F93-F95 AromaticContact CD1-CZ 3.75Å; F93-F95 HydrophobicContact CD1-CZ 3.75Å; F93-F95 AromaticContact CE1-CD1 3.47Å; F93-F95 HydrophobicContact CE1-CD1 3.47Å; F93-F95 VanDerWaalsContact CE1-CD1 3.47Å; F93-F95 AromaticContact CE1-CE1 3.36Å; F93-F95 HydrophobicContact CE1-CE1 3.36Å; F93-F95 HydrophobicContact CE1-CE2 4.49Å; F93-F95 HydrophobicContact CE1-CG 4.07Å; F93-F95 AromaticContact CE1-CZ 3.91Å; F93-F95 HydrophobicContact CE1-CZ 3.91Å; F93-F134 HydrophobicContact CB-CD2 3.47Å; F93-F134 VanDerWaalsContact CB-CD2 3.47Å; F93-F134 HydrophobicContact CB-CE2 3.5Å; F93-F134 VanDerWaalsContact CB-CE2 3.5Å; F93-F134 AromaticContact CD1-CD2 3.83Å; F93-F134 HydrophobicContact CD1-CD2 3.83Å; F93-F134 HydrophobicContact CD1-CE2 4.3Å; F93-F134 HydrophobicContact CD2-CB 4.46Å; F93-F134 AromaticContact CD2-CD2 3.79Å; F93-F134 HydrophobicContact CD2-CD2 3.79Å; F93-F134 HydrophobicContact CE1-CD2 4.5Å; F93-F134 HydrophobicContact CE2-CB 4.41Å; F93-F134 HydrophobicContact CE2-CD2 4.45Å; F93-F134 AromaticContact CG-CD2 3.42Å; F93-F134 HydrophobicContact CG-CD2 3.42Å; F93-F134 VanDerWaalsContact CG-CD2 3.42Å; F93-F134 AromaticContact CG-CE2 3.95Å; F93-F134 HydrophobicContact CG-CE2 3.95Å |
| 94 | H | 92.3 | Very high | 89.6 | Confident | 77 Ų | 77 | 61.7 Ų | 61.7 | 36% | 0.356 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 120.2 | 179.9 | -172.4 | 61.6 | 0 | 0 | 0 | 110.9 | A78 H96 | A78-H94 WeakPolarHBondContact CA-ND1 3.31Å; A78-H94 PolarHBondContact N-ND1 3.36Å; H94-H96 VanDerWaalsContact C-N 3.32Å; H94-H96 AromaticContact CD2-CE1 3.5Å; H94-H96 PolarHBondContact CD2-CE1 3.47Å; H94-H96 VanDerWaalsContact CD2-CE1 3.5Å; H94-H96 AromaticContact CD2-CG 3.58Å; H94-H96 AromaticContact CD2-ND1 3.23Å; H94-H96 PolarHBondContact CD2-ND1 2.98Å; H94-H96 AromaticContact CD2-NE2 3.97Å; H94-H96 WeakPolarHBondContact NE2-CA 3.37Å; H94-H96 AromaticContact NE2-CG 3.94Å; H94-H96 AromaticContact NE2-ND1 3.52Å |
| 95 | F | 88.5 | Confident | 89.9 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 4% | 0.039 | 30% | 0.304 | C | S | . | . | trans | -83 | -4.8 | 179.4 | -65.4 | -73.4 | 0 | 0 | 0 | 113.1 | V73 G77 A79 F93 K97 V99 V113 K115 Y122 | V73-F95 HydrophobicContact CG1-CD2 4.49Å; V73-F95 HydrophobicContact CG2-CE2 4.18Å; G77-F95 WeakPolarHBondContact O-CB 3.43Å; G77-F95 WeakPolarHBondContact O-CD2 3.16Å; G77-F95 PolarHBondContact O-N 3.18Å; A79-F95 HydrophobicContact CB-CD2 3.86Å; A79-F95 HydrophobicContact CB-CE2 3.44Å; A79-F95 VanDerWaalsContact CB-CE2 3.44Å; A79-F95 HydrophobicContact CB-CZ 4.44Å; F93-F95 AromaticContact CD1-CD1 3.96Å; F93-F95 HydrophobicContact CD1-CD1 3.96Å; F93-F95 HydrophobicContact CD1-CD2 4.24Å; F93-F95 AromaticContact CD1-CE1 3.72Å; F93-F95 HydrophobicContact CD1-CE1 3.72Å; F93-F95 HydrophobicContact CD1-CE2 4.04Å; F93-F95 HydrophobicContact CD1-CG 4.2Å; F93-F95 AromaticContact CD1-CZ 3.75Å; F93-F95 HydrophobicContact CD1-CZ 3.75Å; F93-F95 AromaticContact CE1-CD1 3.47Å; F93-F95 HydrophobicContact CE1-CD1 3.47Å; F93-F95 VanDerWaalsContact CE1-CD1 3.47Å; F93-F95 AromaticContact CE1-CE1 3.36Å; F93-F95 HydrophobicContact CE1-CE1 3.36Å; F93-F95 HydrophobicContact CE1-CE2 4.49Å; F93-F95 HydrophobicContact CE1-CG 4.07Å; F93-F95 AromaticContact CE1-CZ 3.91Å; F93-F95 HydrophobicContact CE1-CZ 3.91Å; F95-K97 PolarHBondContact O-N 3.4Å; F95-V99 HydrophobicContact CB-CG2 3.99Å; F95-V99 HydrophobicContact CD2-CG2 3.74Å; F95-V99 HydrophobicContact CE2-CG2 4.45Å; F95-V99 HydrophobicContact CG-CG2 3.95Å; F95-V113 HydrophobicContact CD1-CG1 4.39Å; F95-V113 HydrophobicContact CE1-CB 4.47Å; F95-V113 HydrophobicContact CE1-CG1 4.16Å; F95-V113 HydrophobicContact CE1-CG2 4.21Å; F95-V113 HydrophobicContact CE2-CG1 4.49Å; F95-V113 HydrophobicContact CZ-CG1 4.23Å; F95-V113 HydrophobicContact CZ-CG2 3.96Å; F95-K115 PolarHBondContact O-NZ 3.16Å; F95-Y122 AromaticContact CE1-CE2 3.79Å; F95-Y122 HydrophobicContact CE1-CE2 3.79Å; F95-Y122 AromaticContact CE1-CZ 3.94Å | ||
| 96 | H | 87 | Confident | 90 | Very high | 147 Ų | 147 | 56.8 Ų | 56.8 | 68% | 0.681 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 62.9 | -11.4 | 178.9 | -67.8 | -76.7 | 0 | 0 | 0 | 117.8 | H94 | H94-H96 VanDerWaalsContact C-N 3.32Å; H94-H96 AromaticContact CD2-CE1 3.5Å; H94-H96 PolarHBondContact CD2-CE1 3.47Å; H94-H96 VanDerWaalsContact CD2-CE1 3.5Å; H94-H96 AromaticContact CD2-CG 3.58Å; H94-H96 AromaticContact CD2-ND1 3.23Å; H94-H96 PolarHBondContact CD2-ND1 2.98Å; H94-H96 AromaticContact CD2-NE2 3.97Å; H94-H96 WeakPolarHBondContact NE2-CA 3.37Å; H94-H96 AromaticContact NE2-CG 3.94Å; H94-H96 AromaticContact NE2-ND1 3.52Å |
| 97 | K | 88.9 | Confident | 90 | Very high | 79 Ų | 79 | 56.3 Ų | 56.3 | 34% | 0.343 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -141.5 | 158.2 | 175.9 | -57.1 | -162.6 | -172.2 | -177.1 | 0 | 108.9 | G77 F95 V99 K115 E116 | G77-K97 WeakPolarHBondContact CA-O 3.44Å; F95-K97 PolarHBondContact O-N 3.4Å; K97-V99 PolarHBondContact O-N 3.46Å; K97-K115 HydrophobicContact CB-CD 3.74Å; K97-K115 HydrophobicContact CB-CG 3.9Å; K97-K115 HydrophobicContact CG-CD 4.32Å; K97-K115 VanDerWaalsContact CG-CE 3.4Å; K97-E116 HydrophobicContact CD-CG 4.05Å; K97-E116 WeakPolarHBondContact CD-OE1 3.12Å; K97-E116 WeakPolarHBondContact CD-OE2 3.29Å; K97-E116 WeakPolarHBondContact CE-OE1 3.26Å; K97-E116 WeakPolarHBondContact CE-OE2 3.34Å; K97-E116 IonicContact NZ-OE1 3.46Å; K97-E116 PolarHBondContact NZ-OE1 2.9Å; K97-E116 IonicContact NZ-OE2 2.67Å; K97-E116 PolarHBondContact NZ-OE2 3.31Å |
| 98 | P | 88.6 | Confident | 90 | Very high | 81 Ų | 81 | 51.6 Ų | 51.6 | 53% | 0.526 | 27% | 0.272 | S | S | . | . | trans | -56.2 | 136.8 | 178.9 | 22.3 | -35.2 | 0 | 0 | 0 | 111.5 | E75 | E75-P98 WeakPolarHBondContact O-CB 3.46Š| ||
| 99 | V | 91.7 | Very high | 90 | Very high | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 130.4 | 176 | 172.6 | 0 | 0 | 0 | 0 | 108.3 | V73 F95 K97 I102 V113 T114 | V73-V99 HydrophobicContact CG1-CB 3.91Å; V73-V99 HydrophobicContact CG1-CG2 3.94Å; F95-V99 HydrophobicContact CB-CG2 3.99Å; F95-V99 HydrophobicContact CD2-CG2 3.74Å; F95-V99 HydrophobicContact CE2-CG2 4.45Å; F95-V99 HydrophobicContact CG-CG2 3.95Å; K97-V99 PolarHBondContact O-N 3.46Å; V99-I102 HydrophobicContact CG1-CD1 3.87Å; V99-I102 HydrophobicContact CG1-CG1 3.55Å; V99-V113 HydrophobicContact CB-CG1 4.36Å; V99-V113 HydrophobicContact CG1-CG1 3.56Å; V99-V113 HydrophobicContact CG2-CG1 3.85Å; V99-T114 WeakPolarHBondContact CA-O 3.49Å; V99-T114 WeakPolarHBondContact CG1-O 3.19Å |
| 100 | S | 89.5 | Confident | 90 | Very high | 49 Ų | 49 | 58.5 Ų | 58.5 | 34% | 0.343 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -36.9 | -178.3 | 55.9 | 0 | 0 | 0 | 0 | 113.4 | C60 T114 T147 | C60-S100 PolarHBondContact SG-O 3.31Å; C60-S100 VanDerWaalsContact SG-O 3.34Å; S100-T114 PolarHBondContact N-O 3.42Å; S100-T114 VanDerWaalsContact N-O 3.08Å; S100-T114 WeakPolarHBondContact OG-CB 3.48Å; S100-T114 PolarHBondContact OG-O 3.46Å; S100-T114 PolarHBondContact OG-OG1 2.94Å; S100-T147 WeakPolarHBondContact CB-O 3.48Å; S100-T147 PolarHBondContact OG-O 3.34Å |
| 101 | S | 89.4 | Confident | 90.2 | Very high | 25 Ų | 25 | 56.4 Ų | 56.4 | 18% | 0.175 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 149.3 | -178.9 | -162.7 | 0 | 0 | 0 | 0 | 111.5 | T114 | S101-T114 WeakPolarHBondContact CA-OG1 3.28Å; S101-T114 WeakPolarHBondContact CB-OG1 3.39Å; S101-T114 PolarHBondContact N-OG1 2.88Å; S101-T114 VanDerWaalsContact N-OG1 3.07Å; S101-T114 PolarHBondContact O-N 3Å; S101-T114 PolarHBondContact O-OG1 3.35Å; S101-T114 VanDerWaalsContact O-OG1 3.12Å |
| 102 | I | 93.1 | Very high | 90.3 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 128.9 | 177 | -56.9 | 176.7 | 0 | 0 | 0 | 108.2 | C60 I71 V73 V99 F111 V112 V113 | C60-I102 HydrophobicContact CB-CD1 4.1Å; C60-I102 HydrophobicContact CB-CG1 4.24Å; I71-I102 HydrophobicContact CG2-CD1 4.2Å; V73-I102 HydrophobicContact CB-CD1 3.96Å; V73-I102 HydrophobicContact CG2-CD1 3.2Å; V99-I102 HydrophobicContact CG1-CD1 3.87Å; V99-I102 HydrophobicContact CG1-CG1 3.55Å; I102-F111 HydrophobicContact CG2-CD2 4.33Å; I102-V112 WeakPolarHBondContact CA-O 3.31Å; I102-V113 HydrophobicContact CG1-CG1 4.3Å; I102-V113 HydrophobicContact CG1-CG2 4.24Å; I102-V113 HydrophobicContact CG2-CG2 4.33Å |
| 103 | R | 92.1 | Very high | 90.5 | Very high | 99 Ų | 99 | 48.5 Ų | 48.5 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 127.3 | 175.7 | -156.2 | 167.6 | -176.7 | 152.2 | -1.1 | 111.8 | F111 V112 I150 D151 W152 | R103-F111 WeakPolarHBondContact O-CA 3.48Å; R103-V112 PolarHBondContact N-O 3.31Å; R103-V112 PolarHBondContact O-N 3.27Å; R103-I150 HydrophobicContact CB-CB 4.39Å; R103-I150 HydrophobicContact CB-CG2 4.27Å; R103-I150 VanDerWaalsContact CD-O 3.25Å; R103-I150 WeakPolarHBondContact CD-O 3.32Å; R103-I150 PolarHBondContact NH1-O 3.35Å; R103-I150 VanDerWaalsContact NH1-O 3.08Å; R103-D151 IonicContact CZ-OD1 3.41Å; R103-D151 IonicContact NE-OD1 2.79Å; R103-D151 IonicContact NH1-OD1 3.03Å; R103-D151 PolarHBondContact NH1-OD1 3.16Å; R103-D151 VanDerWaalsContact NH1-OD1 3.16Å; R103-D151 IonicContact NH2-OD1 2.83Å; R103-D151 PolarHBondContact NH2-OD1 3.4Å; R103-D151 VanDerWaalsContact NH2-OD1 3.12Å; R103-W152 PolarHBondContact O-NE1 3.03Å; R103-W152 VanDerWaalsContact O-NE1 3.07Å |
| 104 | F | 93.3 | Very high | 90.4 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 5% | 0.053 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 146.6 | 170.2 | -77.2 | -91.4 | 0 | 0 | 0 | 110.5 | G62 V63 P65 I71 F111 A124 W152 | G62-F104 WeakPolarHBondContact O-CE2 3.44Å; V63-F104 VanDerWaalsContact C-CD2 3.45Å; V63-F104 VanDerWaalsContact O-CD2 3.27Å; V63-F104 WeakPolarHBondContact O-CD2 3.33Å; P65-F104 HydrophobicContact CG-CB 4.39Å; I71-F104 HydrophobicContact CD1-CE1 4.22Å; I71-F104 HydrophobicContact CD1-CE2 3.93Å; I71-F104 HydrophobicContact CD1-CZ 3.41Å; I71-F104 VanDerWaalsContact CD1-CZ 3.41Å; I71-F104 HydrophobicContact CG1-CE2 4.14Å; I71-F104 HydrophobicContact CG1-CZ 3.75Å; F104-F111 HydrophobicContact CD1-CB 3.81Å; F104-F111 HydrophobicContact CE1-CB 4.11Å; F104-F111 HydrophobicContact CE1-CD1 4.21Å; F104-F111 HydrophobicContact CE1-CG 4.36Å; F104-F111 HydrophobicContact CG-CB 4.08Å; F104-A124 HydrophobicContact CE1-CB 4.28Å; F104-W152 VanDerWaalsContact O-CD1 3.3Å; F104-W152 PolarHBondContact O-NE1 3.36Å |
| 105 | S | 92.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | trans | -64.3 | 145.5 | 166.4 | 56.2 | 0 | 0 | 0 | 0 | 109.7 | P65 D107 G108 R109 K110 | P65-S105 WeakPolarHBondContact CG-O 3.45Å; S105-D107 VanDerWaalsContact CB-OD1 3.22Å; S105-D107 WeakPolarHBondContact CB-OD1 3.41Å; S105-D107 PolarHBondContact O-N 3.02Å; S105-D107 VanDerWaalsContact O-N 3.15Å; S105-D107 PolarHBondContact OG-OD1 3.46Å; S105-G108 WeakPolarHBondContact O-CA 3.44Å; S105-G108 PolarHBondContact O-N 2.96Å; S105-R109 PolarHBondContact OG-N 2.96Å; S105-K110 PolarHBondContact N-O 3.23Å; S105-K110 PolarHBondContact OG-N 3.42Å; S105-K110 PolarHBondContact OG-O 3.37Å | ||
| 106 | P | 89.6 | Confident | 90.3 | Very high | 57 Ų | 57 | 47.6 Ų | 47.6 | 37% | 0.37 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -28.3 | 177.4 | -31.4 | 36.4 | 0 | 0 | 0 | 115.1 | G108 W152 T153 S156 | P106-G108 VanDerWaalsContact C-N 3.27Å; P106-G108 PolarHBondContact O-N 3Å; P106-W152 HydrophobicContact CG-CB 4.14Å; P106-T153 WeakPolarHBondContact CG-O 3.22Å; P106-S156 VanDerWaalsContact CD-OG 3.25Å; P106-S156 WeakPolarHBondContact CD-OG 3.4Å |
| 107 | D | 86.8 | Confident | 90.4 | Very high | 82 Ų | 82 | 43.4 Ų | 43.4 | 44% | 0.439 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -8.5 | 174.2 | 74.4 | -10.7 | 0 | 0 | 0 | 114.2 | S105 R109 S156 | S105-D107 VanDerWaalsContact CB-OD1 3.22Å; S105-D107 WeakPolarHBondContact CB-OD1 3.41Å; S105-D107 PolarHBondContact O-N 3.02Å; S105-D107 VanDerWaalsContact O-N 3.15Å; S105-D107 PolarHBondContact OG-OD1 3.46Å; D107-R109 PolarHBondContact O-N 3.49Å; D107-R109 PolarHBondContact OD1-N 3.46Å; D107-R109 WeakPolarHBondContact OD2-CD 3.27Å; D107-S156 PolarHBondContact N-OG 2.85Å; D107-S156 VanDerWaalsContact N-OG 3.14Å |
| 108 | G | 86.8 | Confident | 90.5 | Very high | 18 Ų | 18 | 40.4 Ų | 40.4 | 19% | 0.186 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 71.6 | 3.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S105 P106 A124 | S105-G108 WeakPolarHBondContact O-CA 3.44Å; S105-G108 PolarHBondContact O-N 2.96Å; P106-G108 VanDerWaalsContact C-N 3.27Å; P106-G108 PolarHBondContact O-N 3Å; G108-A124 WeakPolarHBondContact O-CB 3.32Å |
| 109 | R | 87.9 | Confident | 90.6 | Very high | 184 Ų | 184 | 36.5 Ų | 36.5 | 69% | 0.694 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -85.3 | -24.7 | -175.5 | -65.5 | -175.5 | 177.5 | -172.4 | -0.1 | 113.9 | S105 D107 A124 | S105-R109 PolarHBondContact OG-N 2.96Å; D107-R109 PolarHBondContact O-N 3.49Å; D107-R109 PolarHBondContact OD1-N 3.46Å; D107-R109 WeakPolarHBondContact OD2-CD 3.27Å; R109-A124 WeakPolarHBondContact O-CB 3.39Å; R109-A124 PolarHBondContact O-N 3.36Å |
| 110 | K | 90.8 | Very high | 90.6 | Very high | 36 Ų | 36 | 37.4 Ų | 37.4 | 16% | 0.157 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 165.5 | -178.1 | -59.6 | -169.8 | -175.4 | -169.6 | 0 | 110.2 | S105 L121 Y122 D137 | S105-K110 PolarHBondContact N-O 3.23Å; S105-K110 PolarHBondContact OG-N 3.42Å; S105-K110 PolarHBondContact OG-O 3.37Å; K110-L121 HydrophobicContact CB-CD1 3.93Å; K110-L121 HydrophobicContact CD-CD1 4.08Å; K110-L121 HydrophobicContact CD-CD2 4.05Å; K110-L121 HydrophobicContact CD-CG 4.21Å; K110-Y122 CarbonylContact C-O 3.47Å; K110-Y122 VanDerWaalsContact CA-O 3.23Å; K110-Y122 WeakPolarHBondContact CA-O 3.11Å; K110-Y122 WeakPolarHBondContact CB-O 3.41Å; K110-D137 WeakPolarHBondContact CE-OD2 3.43Å; K110-D137 IonicContact NZ-OD2 2.7Å; K110-D137 PolarHBondContact NZ-OD2 3.14Å |
| 111 | F | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 148.1 | 167.8 | 66.9 | -84.3 | 0 | 0 | 0 | 110 | I71 I102 R103 F104 V113 Y122 H123 A124 F134 | I71-F111 HydrophobicContact CD1-CD1 4.14Å; I71-F111 HydrophobicContact CD1-CD2 3.9Å; I71-F111 HydrophobicContact CD1-CE1 3.96Å; I71-F111 HydrophobicContact CD1-CE2 3.71Å; I71-F111 HydrophobicContact CD1-CG 4.11Å; I71-F111 HydrophobicContact CD1-CZ 3.75Å; I102-F111 HydrophobicContact CG2-CD2 4.33Å; R103-F111 WeakPolarHBondContact O-CA 3.48Å; F104-F111 HydrophobicContact CD1-CB 3.81Å; F104-F111 HydrophobicContact CE1-CB 4.11Å; F104-F111 HydrophobicContact CE1-CD1 4.21Å; F104-F111 HydrophobicContact CE1-CG 4.36Å; F104-F111 HydrophobicContact CG-CB 4.08Å; F111-V113 HydrophobicContact CD2-CG2 3.6Å; F111-V113 HydrophobicContact CE2-CG2 3.45Å; F111-V113 VanDerWaalsContact CE2-CG2 3.45Å; F111-Y122 HydrophobicContact CE1-CG 4.33Å; F111-Y122 AromaticContact CE2-CD2 3.92Å; F111-Y122 HydrophobicContact CE2-CD2 3.92Å; F111-Y122 HydrophobicContact CE2-CG 4.05Å; F111-Y122 HydrophobicContact CZ-CD2 4.11Å; F111-Y122 AromaticContact CZ-CG 3.76Å; F111-Y122 HydrophobicContact CZ-CG 3.76Å; F111-Y122 PolarHBondContact N-O 3Å; F111-Y122 PolarHBondContact O-N 3.25Å; F111-H123 VanDerWaalsContact CE1-O 3.32Å; F111-H123 WeakPolarHBondContact CE1-O 3.16Å; F111-A124 HydrophobicContact CD1-CB 4.48Å; F111-F134 AromaticContact CE1-CD1 3.67Å; F111-F134 HydrophobicContact CE1-CD1 3.67Å; F111-F134 AromaticContact CE1-CE1 3.78Å; F111-F134 HydrophobicContact CE1-CE1 3.78Å; F111-F134 AromaticContact CZ-CD1 3.43Å; F111-F134 HydrophobicContact CZ-CD1 3.43Å; F111-F134 VanDerWaalsContact CZ-CD1 3.43Å; F111-F134 AromaticContact CZ-CE1 3.52Å; F111-F134 HydrophobicContact CZ-CE1 3.52Å; F111-F134 HydrophobicContact CZ-CG 4.15Å; F111-F134 HydrophobicContact CZ-CZ 4.33Å |
| 112 | V | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137.9 | 175.2 | 174.6 | 0 | 0 | 0 | 0 | 108.9 | I102 R103 A119 L120 L121 I150 W152 F159 | I102-V112 WeakPolarHBondContact CA-O 3.31Å; R103-V112 PolarHBondContact N-O 3.31Å; R103-V112 PolarHBondContact O-N 3.27Å; V112-A119 HydrophobicContact CG1-CB 4.14Å; V112-L120 CarbonylContact C-O 3.59Å; V112-L120 WeakPolarHBondContact CA-O 3.45Å; V112-L121 HydrophobicContact CG2-CB 4.32Å; V112-L121 HydrophobicContact CG2-CD1 3.45Å; V112-L121 VanDerWaalsContact CG2-CD1 3.45Å; V112-L121 HydrophobicContact CG2-CG 4.5Å; V112-I150 HydrophobicContact CB-CD1 4.36Å; V112-I150 HydrophobicContact CB-CG2 4.45Å; V112-I150 HydrophobicContact CG1-CD1 3.88Å; V112-I150 HydrophobicContact CG1-CG2 4.42Å; V112-W152 HydrophobicContact CB-CZ2 4.21Å; V112-W152 HydrophobicContact CG2-CH2 3.96Å; V112-W152 HydrophobicContact CG2-CZ2 3.38Å; V112-F159 HydrophobicContact CG1-CD2 4.43Å; V112-F159 HydrophobicContact CG1-CE2 4.16Å; V112-F159 HydrophobicContact CG2-CD1 4.23Å; V112-F159 HydrophobicContact CG2-CD2 4.21Å; V112-F159 HydrophobicContact CG2-CE1 4.17Å; V112-F159 HydrophobicContact CG2-CE2 4.13Å; V112-F159 HydrophobicContact CG2-CG 4.26Å; V112-F159 HydrophobicContact CG2-CZ 4.11Å |
| 113 | V | 93.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.9 | 173.6 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | F95 V99 I102 F111 L120 Y122 | F95-V113 HydrophobicContact CD1-CG1 4.39Å; F95-V113 HydrophobicContact CE1-CB 4.47Å; F95-V113 HydrophobicContact CE1-CG1 4.16Å; F95-V113 HydrophobicContact CE1-CG2 4.21Å; F95-V113 HydrophobicContact CE2-CG1 4.49Å; F95-V113 HydrophobicContact CZ-CG1 4.23Å; F95-V113 HydrophobicContact CZ-CG2 3.96Å; V99-V113 HydrophobicContact CB-CG1 4.36Å; V99-V113 HydrophobicContact CG1-CG1 3.56Å; V99-V113 HydrophobicContact CG2-CG1 3.85Å; I102-V113 HydrophobicContact CG1-CG1 4.3Å; I102-V113 HydrophobicContact CG1-CG2 4.24Å; I102-V113 HydrophobicContact CG2-CG2 4.33Å; F111-V113 HydrophobicContact CD2-CG2 3.6Å; F111-V113 HydrophobicContact CE2-CG2 3.45Å; F111-V113 VanDerWaalsContact CE2-CG2 3.45Å; V113-L120 PolarHBondContact N-O 3Å; V113-L120 PolarHBondContact O-N 3.42Å; V113-Y122 HydrophobicContact CG2-CD2 4.23Å; V113-Y122 HydrophobicContact CG2-CE2 4.43Å |
| 114 | T | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 133.1 | 173.5 | 46.1 | 0 | 0 | 0 | 0 | 111.3 | V99 S100 S101 A119 T147 I150 V161 | V99-T114 WeakPolarHBondContact CA-O 3.49Å; V99-T114 WeakPolarHBondContact CG1-O 3.19Å; S100-T114 PolarHBondContact N-O 3.42Å; S100-T114 VanDerWaalsContact N-O 3.08Å; S100-T114 WeakPolarHBondContact OG-CB 3.48Å; S100-T114 PolarHBondContact OG-O 3.46Å; S100-T114 PolarHBondContact OG-OG1 2.94Å; S101-T114 WeakPolarHBondContact CA-OG1 3.28Å; S101-T114 WeakPolarHBondContact CB-OG1 3.39Å; S101-T114 PolarHBondContact N-OG1 2.88Å; S101-T114 VanDerWaalsContact N-OG1 3.07Å; S101-T114 PolarHBondContact O-N 3Å; S101-T114 PolarHBondContact O-OG1 3.35Å; S101-T114 VanDerWaalsContact O-OG1 3.12Å; T114-A119 HydrophobicContact CG2-CB 4.1Å; T114-T147 VanDerWaalsContact CB-OG1 3.23Å; T114-T147 WeakPolarHBondContact CB-OG1 3.33Å; T114-T147 HydrophobicContact CG2-CG2 4.32Å; T114-I150 HydrophobicContact CG2-CD1 3.54Å; T114-I150 HydrophobicContact CG2-CG1 3.55Å; T114-V161 HydrophobicContact CG2-CG1 4.02Å |
| 115 | K | 89.6 | Confident | 89.5 | Confident | 41 Ų | 41 | 34.3 Ų | 34.3 | 18% | 0.178 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 122.8 | -178.7 | 169 | -179.8 | 145.6 | 167 | 0 | 108.5 | F95 K97 N117 V118 | F95-K115 PolarHBondContact O-NZ 3.16Å; K97-K115 HydrophobicContact CB-CD 3.74Å; K97-K115 HydrophobicContact CB-CG 3.9Å; K97-K115 HydrophobicContact CG-CD 4.32Å; K97-K115 VanDerWaalsContact CG-CE 3.4Å; K115-N117 PolarHBondContact O-N 2.95Å; K115-N117 VanDerWaalsContact O-N 3.16Å; K115-V118 PolarHBondContact N-O 3.21Å; K115-V118 PolarHBondContact O-N 2.84Å; K115-V118 VanDerWaalsContact O-O 3.13Å |
| 116 | E | 88.1 | Confident | 88.2 | Confident | 73 Ų | 73 | 36.7 Ų | 36.7 | 34% | 0.341 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | -119.8 | -172.6 | -60.5 | 177 | 150.2 | 0 | 0 | 110.3 | K97 E146 T147 | K97-E116 HydrophobicContact CD-CG 4.05Å; K97-E116 WeakPolarHBondContact CD-OE1 3.12Å; K97-E116 WeakPolarHBondContact CD-OE2 3.29Å; K97-E116 WeakPolarHBondContact CE-OE1 3.26Å; K97-E116 WeakPolarHBondContact CE-OE2 3.34Å; K97-E116 IonicContact NZ-OE1 3.46Å; K97-E116 PolarHBondContact NZ-OE1 2.9Å; K97-E116 IonicContact NZ-OE2 2.67Å; K97-E116 PolarHBondContact NZ-OE2 3.31Å; E116-E146 CarbonylContact O-C 3.56Å; E116-E146 WeakPolarHBondContact O-CA 3.14Å; E116-T147 WeakPolarHBondContact O-CB 3.42Å; E116-T147 PolarHBondContact O-N 3.14Å; E116-T147 PolarHBondContact O-OG1 2.87Å |
| 117 | N | 89.4 | Confident | 86.7 | Confident | 59 Ų | 59 | 43.8 Ų | 43.8 | 32% | 0.316 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 11.2 | -178.3 | 65.4 | -11.2 | 0 | 0 | 0 | 114.3 | K115 P143 D145 | K115-N117 PolarHBondContact O-N 2.95Å; K115-N117 VanDerWaalsContact O-N 3.16Å; N117-P143 WeakPolarHBondContact CB-O 3.47Å; N117-D145 WeakPolarHBondContact CA-O 3.31Å; N117-D145 WeakPolarHBondContact CB-O 3.5Å |
| 118 | V | 90.4 | Very high | 85.4 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 10% | 0.097 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 138.7 | -176 | -171.5 | 0 | 0 | 0 | 0 | 111 | K115 L120 Y140 Y141 | K115-V118 PolarHBondContact N-O 3.21Å; K115-V118 PolarHBondContact O-N 2.84Å; K115-V118 VanDerWaalsContact O-O 3.13Å; V118-L120 HydrophobicContact CG1-CD2 3.71Å; V118-L120 HydrophobicContact CG1-CG 4.23Å; V118-Y140 WeakPolarHBondContact CG1-O 3.13Å; V118-Y141 HydrophobicContact CG1-CE1 4.32Å; V118-Y141 HydrophobicContact CG2-CD1 3.7Å; V118-Y141 HydrophobicContact CG2-CE1 3.41Å; V118-Y141 VanDerWaalsContact CG2-CE1 3.41Å |
| 119 | A | 90.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 124.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V112 T114 Y140 F159 V161 | V112-A119 HydrophobicContact CG1-CB 4.14Å; T114-A119 HydrophobicContact CG2-CB 4.1Å; A119-Y140 PolarHBondContact N-O 2.95Å; A119-Y140 PolarHBondContact O-N 3.42Å; A119-F159 HydrophobicContact CB-CE2 4.29Å; A119-V161 HydrophobicContact CB-CG2 4.08Å |
| 120 | L | 91.8 | Very high | 84.1 | Confident | 25 Ų | 25 | 51.7 Ų | 51.7 | 13% | 0.131 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.3 | -178.9 | -60.1 | 176.2 | 0 | 0 | 0 | 109.5 | V112 V113 V118 Y122 L136 | V112-L120 CarbonylContact C-O 3.59Å; V112-L120 WeakPolarHBondContact CA-O 3.45Å; V113-L120 PolarHBondContact N-O 3Å; V113-L120 PolarHBondContact O-N 3.42Å; V118-L120 HydrophobicContact CG1-CD2 3.71Å; V118-L120 HydrophobicContact CG1-CG 4.23Å; L120-Y122 HydrophobicContact CB-CD2 4.21Å; L120-Y122 HydrophobicContact CB-CE2 3.59Å; L120-Y122 HydrophobicContact CD1-CE2 4.18Å; L120-L136 HydrophobicContact CB-CD1 3.99Å; L120-L136 HydrophobicContact CD2-CD1 4.18Å |
| 121 | L | 91.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 120 | 177.3 | 179.3 | 69.2 | 0 | 0 | 0 | 109.4 | K110 V112 D137 K138 Y140 W152 A173 | K110-L121 HydrophobicContact CB-CD1 3.93Å; K110-L121 HydrophobicContact CD-CD1 4.08Å; K110-L121 HydrophobicContact CD-CD2 4.05Å; K110-L121 HydrophobicContact CD-CG 4.21Å; V112-L121 HydrophobicContact CG2-CB 4.32Å; V112-L121 HydrophobicContact CG2-CD1 3.45Å; V112-L121 VanDerWaalsContact CG2-CD1 3.45Å; V112-L121 HydrophobicContact CG2-CG 4.5Å; L121-D137 HydrophobicContact CD2-CB 4.44Å; L121-D137 HydrophobicContact CG-CB 4.35Å; L121-D137 WeakPolarHBondContact O-CB 3.19Å; L121-D137 PolarHBondContact O-N 3.35Å; L121-K138 HydrophobicContact CB-CB 4.37Å; L121-K138 HydrophobicContact CD2-CB 4.5Å; L121-K138 PolarHBondContact N-O 2.87Å; L121-K138 PolarHBondContact O-N 3.18Å; L121-Y140 HydrophobicContact CB-CE2 3.89Å; L121-Y140 HydrophobicContact CD2-CE2 4.24Å; L121-W152 HydrophobicContact CD1-CH2 3.67Å; L121-W152 HydrophobicContact CD1-CZ2 3.98Å; L121-A173 HydrophobicContact CD2-CB 4.29Å |
| 122 | Y | 91.4 | Very high | 82.9 | Confident | 18 Ų | 18 | 63.4 Ų | 63.4 | 7% | 0.071 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 154.2 | 178.2 | -72.3 | -90 | 0 | 0 | 0 | 111.2 | F95 K110 F111 V113 L120 F134 V135 L136 | F95-Y122 AromaticContact CE1-CE2 3.79Å; F95-Y122 HydrophobicContact CE1-CE2 3.79Å; F95-Y122 AromaticContact CE1-CZ 3.94Å; K110-Y122 CarbonylContact C-O 3.47Å; K110-Y122 VanDerWaalsContact CA-O 3.23Å; K110-Y122 WeakPolarHBondContact CA-O 3.11Å; K110-Y122 WeakPolarHBondContact CB-O 3.41Å; F111-Y122 HydrophobicContact CE1-CG 4.33Å; F111-Y122 AromaticContact CE2-CD2 3.92Å; F111-Y122 HydrophobicContact CE2-CD2 3.92Å; F111-Y122 HydrophobicContact CE2-CG 4.05Å; F111-Y122 HydrophobicContact CZ-CD2 4.11Å; F111-Y122 AromaticContact CZ-CG 3.76Å; F111-Y122 HydrophobicContact CZ-CG 3.76Å; F111-Y122 PolarHBondContact N-O 3Å; F111-Y122 PolarHBondContact O-N 3.25Å; V113-Y122 HydrophobicContact CG2-CD2 4.23Å; V113-Y122 HydrophobicContact CG2-CE2 4.43Å; L120-Y122 HydrophobicContact CB-CD2 4.21Å; L120-Y122 HydrophobicContact CB-CE2 3.59Å; L120-Y122 HydrophobicContact CD1-CE2 4.18Å; Y122-F134 HydrophobicContact CD1-CB 3.91Å; Y122-F134 HydrophobicContact CE1-CB 4.21Å; Y122-V135 WeakPolarHBondContact CA-O 3.34Å; Y122-L136 HydrophobicContact CD1-CB 4.07Å; Y122-L136 HydrophobicContact CD1-CD1 4.21Å; Y122-L136 HydrophobicContact CD2-CD1 4.26Å; Y122-L136 HydrophobicContact CE1-CB 3.74Å; Y122-L136 HydrophobicContact CE1-CD1 3.85Å; Y122-L136 HydrophobicContact CE1-CG 4.39Å; Y122-L136 HydrophobicContact CE2-CD1 3.9Å; Y122-L136 HydrophobicContact CG-CD1 4.4Å |
| 123 | H | 88.9 | Confident | 82.3 | Confident | 75 Ų | 75 | 64 Ų | 64 | 35% | 0.347 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 136.8 | 163.4 | -73.2 | -72 | 0 | 0 | 0 | 110.5 | F111 V135 D137 | F111-H123 VanDerWaalsContact CE1-O 3.32Å; F111-H123 WeakPolarHBondContact CE1-O 3.16Å; H123-V135 PolarHBondContact N-O 2.9Å; H123-D137 IonicContact NE2-OD2 3.86Å |
| 124 | A | 84.1 | Confident | 82 | Confident | 25 Ų | 25 | 64.2 Ų | 64.2 | 21% | 0.207 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 132.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | F104 G108 R109 F111 | F104-A124 HydrophobicContact CE1-CB 4.28Å; G108-A124 WeakPolarHBondContact O-CB 3.32Å; R109-A124 WeakPolarHBondContact O-CB 3.39Å; R109-A124 PolarHBondContact O-N 3.36Å; F111-A124 HydrophobicContact CD1-CB 4.48Å |
| 125 | P | 79 | Confident | 81.8 | Confident | 10 Ų | 10 | 67.6 Ų | 67.6 | 7% | 0.065 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 139.1 | -175.6 | 25.8 | -34.3 | 0 | 0 | 0 | 111.3 | L81 A133 F134 | L81-P125 HydrophobicContact CD1-CG 3.58Å; L81-P125 HydrophobicContact CD2-CB 3.69Å; L81-P125 HydrophobicContact CD2-CG 3.38Å; L81-P125 HydrophobicContact CG-CG 4.11Å; P125-A133 HydrophobicContact CB-CB 3.92Å; P125-A133 WeakPolarHBondContact CB-O 3.3Å; P125-F134 HydrophobicContact CB-CD1 4.49Å; P125-F134 HydrophobicContact CB-CE1 4.39Å; P125-F134 HydrophobicContact CG-CD1 4.23Å; P125-F134 HydrophobicContact CG-CE1 3.74Å |
| 126 | G | 63.7 | Low | 81.7 | Confident | 52 Ų | 52 | 68.4 Ų | 68.4 | 54% | 0.536 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 171.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q128 | G126-Q128 PolarHBondContact O-N 3.12Š|
| 127 | K | 58.7 | Low | 81.7 | Confident | 205 Ų | 205 | 66.5 Ų | 66.5 | 89% | 0.891 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -69 | -17.1 | 178.1 | -69.7 | -177.4 | -179.8 | 177.7 | 0 | 113.7 | ||
| 128 | Q | 59.9 | Low | 81.6 | Confident | 157 Ų | 157 | 64.4 Ų | 64.4 | 73% | 0.734 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -88.2 | 143.4 | 178.9 | -66.6 | -169.8 | -3.9 | 0 | 0 | 110.8 | G126 E130 | G126-Q128 PolarHBondContact O-N 3.12Å; Q128-E130 PolarHBondContact O-N 3.1Å |
| 129 | R | 65.6 | Low | 81.6 | Confident | 181 Ų | 181 | 64 Ų | 64 | 68% | 0.683 | 32% | 0.317 | S | S | * | . | trans | -77.5 | 104.5 | 175.7 | -76.5 | -176.1 | 170.1 | 177.2 | -4.5 | 109.2 | V89 | V89-R129 PolarHBondContact O-NH2 3.14Š| ||
| 130 | E | 81.5 | Confident | 81.5 | Confident | 113 Ų | 113 | 64 Ų | 64 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | trans | -98.8 | 154.4 | 169 | -66.5 | 174.7 | -169.4 | 0 | 0 | 109.6 | Q128 N132 | Q128-E130 PolarHBondContact O-N 3.1Å; E130-N132 VanDerWaalsContact C-N 3.29Å; E130-N132 PolarHBondContact O-N 3.44Å | ||
| 131 | F | 79.5 | Confident | 81.2 | Confident | 205 Ų | 205 | 67.6 Ų | 67.6 | 90% | 0.899 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -61.4 | -40.9 | 179 | 178.1 | -99.8 | 0 | 0 | 0 | 111.5 | H91 | H91-F131 PolarHBondContact NE2-O 3.01Š|
| 132 | N | 80 | Confident | 80.6 | Confident | 77 Ų | 77 | 68.2 Ų | 68.2 | 41% | 0.412 | 34% | 0.336 | S | S | . | . | trans | -115.3 | 94.3 | 170.3 | -171.1 | 19.7 | 0 | 0 | 0 | 110 | E130 F134 | E130-N132 VanDerWaalsContact C-N 3.29Å; E130-N132 PolarHBondContact O-N 3.44Å; N132-F134 VanDerWaalsContact C-N 3.27Å; N132-F134 PolarHBondContact ND2-O 3.17Å; N132-F134 PolarHBondContact O-N 3Å; N132-F134 PolarHBondContact OD1-N 3.01Å; N132-F134 PolarHBondContact OD1-O 3.27Å | ||
| 133 | A | 80.8 | Confident | 80.2 | Confident | 13 Ų | 13 | 67.6 Ų | 67.6 | 11% | 0.107 | 33% | 0.334 | C | S | . | . | trans | -72.7 | -22.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | L81 H91 P125 | L81-A133 HydrophobicContact CD2-CB 4.47Å; H91-A133 HydrophobicContact CB-CB 4.12Å; P125-A133 HydrophobicContact CB-CB 3.92Å; P125-A133 WeakPolarHBondContact CB-O 3.3Å | ||
| 134 | F | 86.5 | Confident | 80.1 | Confident | 3 Ų | 3 | 71.6 Ų | 71.6 | 1% | 0.013 | 35% | 0.347 | C | S | . | . | trans | -104.9 | 105 | -178.4 | -63.2 | -46.2 | 0 | 0 | 0 | 110.9 | I71 L81 F93 F111 Y122 P125 N132 | I71-F134 HydrophobicContact CD1-CE1 3.89Å; I71-F134 HydrophobicContact CD1-CZ 4.01Å; I71-F134 HydrophobicContact CG1-CE1 4.42Å; I71-F134 HydrophobicContact CG1-CZ 4.16Å; L81-F134 HydrophobicContact CB-CZ 4.1Å; L81-F134 HydrophobicContact CD1-CE1 4.45Å; L81-F134 HydrophobicContact CD1-CZ 4.35Å; F93-F134 HydrophobicContact CB-CD2 3.47Å; F93-F134 VanDerWaalsContact CB-CD2 3.47Å; F93-F134 HydrophobicContact CB-CE2 3.5Å; F93-F134 VanDerWaalsContact CB-CE2 3.5Å; F93-F134 AromaticContact CD1-CD2 3.83Å; F93-F134 HydrophobicContact CD1-CD2 3.83Å; F93-F134 HydrophobicContact CD1-CE2 4.3Å; F93-F134 HydrophobicContact CD2-CB 4.46Å; F93-F134 AromaticContact CD2-CD2 3.79Å; F93-F134 HydrophobicContact CD2-CD2 3.79Å; F93-F134 HydrophobicContact CE1-CD2 4.5Å; F93-F134 HydrophobicContact CE2-CB 4.41Å; F93-F134 HydrophobicContact CE2-CD2 4.45Å; F93-F134 AromaticContact CG-CD2 3.42Å; F93-F134 HydrophobicContact CG-CD2 3.42Å; F93-F134 VanDerWaalsContact CG-CD2 3.42Å; F93-F134 AromaticContact CG-CE2 3.95Å; F93-F134 HydrophobicContact CG-CE2 3.95Å; F111-F134 AromaticContact CE1-CD1 3.67Å; F111-F134 HydrophobicContact CE1-CD1 3.67Å; F111-F134 AromaticContact CE1-CE1 3.78Å; F111-F134 HydrophobicContact CE1-CE1 3.78Å; F111-F134 AromaticContact CZ-CD1 3.43Å; F111-F134 HydrophobicContact CZ-CD1 3.43Å; F111-F134 VanDerWaalsContact CZ-CD1 3.43Å; F111-F134 AromaticContact CZ-CE1 3.52Å; F111-F134 HydrophobicContact CZ-CE1 3.52Å; F111-F134 HydrophobicContact CZ-CG 4.15Å; F111-F134 HydrophobicContact CZ-CZ 4.33Å; Y122-F134 HydrophobicContact CD1-CB 3.91Å; Y122-F134 HydrophobicContact CE1-CB 4.21Å; P125-F134 HydrophobicContact CB-CD1 4.49Å; P125-F134 HydrophobicContact CB-CE1 4.39Å; P125-F134 HydrophobicContact CG-CD1 4.23Å; P125-F134 HydrophobicContact CG-CE1 3.74Å; N132-F134 VanDerWaalsContact C-N 3.27Å; N132-F134 PolarHBondContact ND2-O 3.17Å; N132-F134 PolarHBondContact O-N 3Å; N132-F134 PolarHBondContact OD1-N 3.01Å; N132-F134 PolarHBondContact OD1-O 3.27Å | ||
| 135 | V | 86.8 | Confident | 80.3 | Confident | 71 Ų | 71 | 74 Ų | 74 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | trans | -94.7 | 118.3 | 172.8 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | Y122 H123 D137 | Y122-V135 WeakPolarHBondContact CA-O 3.34Å; H123-V135 PolarHBondContact N-O 2.9Å; V135-D137 PolarHBondContact O-N 2.92Å | ||
| 136 | L | 88.4 | Confident | 80.7 | Confident | 59 Ų | 59 | 77.8 Ų | 77.8 | 31% | 0.309 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 122.1 | 175.2 | -178.7 | 69 | 0 | 0 | 0 | 108.9 | L120 Y122 A255 | L120-L136 HydrophobicContact CB-CD1 3.99Å; L120-L136 HydrophobicContact CD2-CD1 4.18Å; Y122-L136 HydrophobicContact CD1-CB 4.07Å; Y122-L136 HydrophobicContact CD1-CD1 4.21Å; Y122-L136 HydrophobicContact CD2-CD1 4.26Å; Y122-L136 HydrophobicContact CE1-CB 3.74Å; Y122-L136 HydrophobicContact CE1-CD1 3.85Å; Y122-L136 HydrophobicContact CE1-CG 4.39Å; Y122-L136 HydrophobicContact CE2-CD1 3.9Å; Y122-L136 HydrophobicContact CG-CD1 4.4Å; L136-A255 HydrophobicContact CD2-CB 3.68Å; L136-A255 HydrophobicContact CG-CB 4.01Å |
| 137 | D | 87.3 | Confident | 82 | Confident | 33 Ų | 33 | 75.4 Ų | 75.4 | 18% | 0.176 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -59 | 175.6 | -176.3 | 5 | 0 | 0 | 0 | 109.2 | K110 L121 H123 V135 | K110-D137 WeakPolarHBondContact CE-OD2 3.43Å; K110-D137 IonicContact NZ-OD2 2.7Å; K110-D137 PolarHBondContact NZ-OD2 3.14Å; L121-D137 HydrophobicContact CD2-CB 4.44Å; L121-D137 HydrophobicContact CG-CB 4.35Å; L121-D137 WeakPolarHBondContact O-CB 3.19Å; L121-D137 PolarHBondContact O-N 3.35Å; H123-D137 IonicContact NE2-OD2 3.86Å; V135-D137 PolarHBondContact O-N 2.92Å |
| 138 | K | 87.8 | Confident | 83.5 | Confident | 15 Ų | 15 | 67.2 Ų | 67.2 | 7% | 0.065 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 149.6 | -172.4 | -63.6 | 178.6 | -176.4 | 168 | 0 | 113.1 | L121 Y140 A173 E256 I258 | L121-K138 HydrophobicContact CB-CB 4.37Å; L121-K138 HydrophobicContact CD2-CB 4.5Å; L121-K138 PolarHBondContact N-O 2.87Å; L121-K138 PolarHBondContact O-N 3.18Å; K138-Y140 HydrophobicContact CB-CD2 4.37Å; K138-Y140 HydrophobicContact CB-CE2 3.65Å; K138-Y140 WeakPolarHBondContact CD-OH 3.35Å; K138-A173 PolarHBondContact NZ-O 3.41Å; K138-E256 WeakPolarHBondContact CA-O 3.11Å; K138-E256 HydrophobicContact CG-CB 4.28Å; K138-I258 HydrophobicContact CD-CD1 3.9Å |
| 139 | S | 90.3 | Very high | 84.9 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 127.4 | 170 | 57.9 | 0 | 0 | 0 | 0 | 110.9 | E256 V257 I258 | S139-E256 PolarHBondContact N-O 2.69Å; S139-V257 WeakPolarHBondContact OG-CG2 3.35Å; S139-I258 PolarHBondContact O-N 3.42Å |
| 140 | Y | 87.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 117 | -177.9 | -62.4 | -93.8 | 0 | 0 | 0 | 110.2 | V118 A119 L121 K138 F159 F171 G172 A173 I258 | V118-Y140 WeakPolarHBondContact CG1-O 3.13Å; A119-Y140 PolarHBondContact N-O 2.95Å; A119-Y140 PolarHBondContact O-N 3.42Å; L121-Y140 HydrophobicContact CB-CE2 3.89Å; L121-Y140 HydrophobicContact CD2-CE2 4.24Å; K138-Y140 HydrophobicContact CB-CD2 4.37Å; K138-Y140 HydrophobicContact CB-CE2 3.65Å; K138-Y140 WeakPolarHBondContact CD-OH 3.35Å; Y140-F159 HydrophobicContact CD1-CZ 4.39Å; Y140-F159 HydrophobicContact CD2-CE1 4.47Å; Y140-F159 AromaticContact CD2-CZ 3.68Å; Y140-F159 HydrophobicContact CD2-CZ 3.68Å; Y140-F159 HydrophobicContact CE1-CZ 4.28Å; Y140-F159 AromaticContact CE2-CE1 3.93Å; Y140-F159 HydrophobicContact CE2-CE1 3.93Å; Y140-F159 AromaticContact CE2-CZ 3.59Å; Y140-F159 HydrophobicContact CE2-CZ 3.59Å; Y140-F159 HydrophobicContact CG-CZ 4.09Å; Y140-F159 AromaticContact CZ-CE1 3.93Å; Y140-F159 AromaticContact CZ-CZ 3.89Å; Y140-F171 HydrophobicContact CD1-CB 4Å; Y140-F171 AromaticContact CD1-CD1 3.51Å; Y140-F171 HydrophobicContact CD1-CD1 3.51Å; Y140-F171 HydrophobicContact CD1-CE1 4.11Å; Y140-F171 AromaticContact CD1-CG 3.8Å; Y140-F171 HydrophobicContact CD1-CG 3.8Å; Y140-F171 HydrophobicContact CE1-CB 4.06Å; Y140-F171 HydrophobicContact CE1-CD1 4.24Å; Y140-F171 HydrophobicContact CE1-CG 4.36Å; Y140-F171 HydrophobicContact CG-CD1 4.18Å; Y140-F171 HydrophobicContact CG-CG 4.22Å; Y140-G172 PolarHBondContact OH-O 3.27Å; Y140-A173 PolarHBondContact OH-O 3.28Å; Y140-I258 HydrophobicContact CD1-CB 3.98Å; Y140-I258 HydrophobicContact CD1-CD1 4.16Å; Y140-I258 HydrophobicContact CD1-CG2 3.98Å; Y140-I258 HydrophobicContact CE1-CB 4.28Å; Y140-I258 HydrophobicContact CE1-CD1 3.56Å; Y140-I258 HydrophobicContact CE1-CG1 4.47Å; Y140-I258 HydrophobicContact CE1-CG2 4.28Å |
| 141 | Y | 86.1 | Confident | 86.7 | Confident | 100 Ų | 100 | 46.8 Ų | 46.8 | 39% | 0.392 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.8 | 172.7 | -65.7 | -92.5 | 0 | 0 | 0 | 108.7 | V118 V257 I258 G260 | V118-Y141 HydrophobicContact CG1-CE1 4.32Å; V118-Y141 HydrophobicContact CG2-CD1 3.7Å; V118-Y141 HydrophobicContact CG2-CE1 3.41Å; V118-Y141 VanDerWaalsContact CG2-CE1 3.41Å; Y141-V257 HydrophobicContact CD2-CG1 3.7Å; Y141-V257 HydrophobicContact CE2-CG1 3.62Å; Y141-I258 PolarHBondContact N-O 2.67Å; Y141-G260 PolarHBondContact O-N 3.49Å |
| 142 | G | 78.7 | Confident | 87.4 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 12% | 0.124 | 19% | 0.187 | C | C | . | . | trans | -165.3 | -61.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | W169 | G142-W169 WeakPolarHBondContact O-CZ2 3.17Š| ||
| 143 | P | 84 | Confident | 88 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.032 | 17% | 0.168 | C | C | . | . | trans | -50.9 | 141.8 | 172.9 | -27.1 | 36.2 | 0 | 0 | 0 | 111.7 | N117 T147 V161 W169 | N117-P143 WeakPolarHBondContact CB-O 3.47Å; P143-T147 HydrophobicContact CB-CG2 3.81Å; P143-T147 HydrophobicContact CG-CG2 3.59Å; P143-V161 HydrophobicContact CG-CG1 4.34Å; P143-W169 HydrophobicContact CG-CG 4.24Å | ||
| 144 | Y | 85.8 | Confident | 88.3 | Confident | 159 Ų | 159 | 35.7 Ų | 35.7 | 62% | 0.624 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -90.8 | -31.8 | 176.9 | -67.4 | -71.4 | 0 | 0 | 0 | 111.9 | D165 W169 T262 | Y144-D165 PolarHBondContact N-OD2 2.99Å; Y144-W169 HydrophobicContact CE2-CZ2 4.34Å; Y144-T262 HydrophobicContact CE2-CG2 4.43Å; Y144-T262 WeakPolarHBondContact OH-CG2 3.43Å |
| 145 | D | 88.3 | Confident | 88.3 | Confident | 76 Ų | 76 | 37.9 Ų | 37.9 | 41% | 0.406 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -115.1 | -174.3 | 179.8 | -159 | -0.9 | 0 | 0 | 0 | 110.9 | N117 T147 S163 K164 D165 | N117-D145 WeakPolarHBondContact CA-O 3.31Å; N117-D145 WeakPolarHBondContact CB-O 3.5Å; D145-T147 PolarHBondContact O-N 3.33Å; D145-S163 PolarHBondContact O-OG 3.37Å; D145-K164 HydrophobicContact CB-CB 4.14Å; D145-K164 WeakPolarHBondContact OD2-CB 3.25Å; D145-D165 HydrophobicContact CB-CB 3.84Å |
| 146 | E | 88.3 | Confident | 88.3 | Confident | 89 Ų | 89 | 35.2 Ų | 35.2 | 42% | 0.416 | 17% | 0.174 | S | C | . | . | trans | -60.9 | 131.1 | -179.1 | -62.2 | -178.1 | 164.7 | 0 | 0 | 112.4 | E116 S163 K164 | E116-E146 CarbonylContact O-C 3.56Å; E116-E146 WeakPolarHBondContact O-CA 3.14Å; E146-S163 CarbonylContact O-C 3.57Å; E146-S163 WeakPolarHBondContact O-CA 3.48Å; E146-S163 PolarHBondContact O-OG 3.36Å; E146-K164 HydrophobicContact CB-CD 4.02Å; E146-K164 HydrophobicContact CB-CG 4.32Å; E146-K164 WeakPolarHBondContact O-CG 3.42Å; E146-K164 PolarHBondContact O-N 3.42Å; E146-K164 WeakPolarHBondContact OE2-CE 3.35Å; E146-K164 IonicContact OE2-NZ 3.16Å; E146-K164 PolarHBondContact OE2-NZ 3.18Å | ||
| 147 | T | 90.9 | Very high | 88.3 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 139.6 | 175 | 46 | 0 | 0 | 0 | 0 | 110.6 | S100 T114 E116 P143 D145 V161 G162 | S100-T147 WeakPolarHBondContact CB-O 3.48Å; S100-T147 PolarHBondContact OG-O 3.34Å; T114-T147 VanDerWaalsContact CB-OG1 3.23Å; T114-T147 WeakPolarHBondContact CB-OG1 3.33Å; T114-T147 HydrophobicContact CG2-CG2 4.32Å; E116-T147 WeakPolarHBondContact O-CB 3.42Å; E116-T147 PolarHBondContact O-N 3.14Å; E116-T147 PolarHBondContact O-OG1 2.87Å; P143-T147 HydrophobicContact CB-CG2 3.81Å; P143-T147 HydrophobicContact CG-CG2 3.59Å; D145-T147 PolarHBondContact O-N 3.33Å; T147-V161 HydrophobicContact CG2-CG1 3.52Å; T147-G162 CarbonylContact C-O 3.57Å; T147-G162 WeakPolarHBondContact CA-O 3.26Å |
| 148 | T | 89.1 | Confident | 88.3 | Confident | 33 Ų | 33 | 33.7 Ų | 33.7 | 20% | 0.202 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | -46.8 | -171.2 | 56 | 0 | 0 | 0 | 0 | 113.4 | G162 K164 I190 I191 | T148-G162 PolarHBondContact N-O 3.25Å; T148-G162 PolarHBondContact OG1-O 3.44Å; T148-K164 HydrophobicContact CG2-CG 3.79Å; T148-I190 HydrophobicContact CG2-CG2 4.02Å; T148-I191 VanDerWaalsContact CB-O 3.31Å; T148-I191 WeakPolarHBondContact CB-O 3.33Å; T148-I191 PolarHBondContact OG1-O 3.31Å |
| 149 | C | 89.4 | Confident | 88.5 | Confident | 15 Ų | 15 | 33 Ų | 33 | 10% | 0.101 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 155.3 | -169.8 | 55.1 | 0 | 0 | 0 | 0 | 112.2 | V161 G162 C194 | C149-V161 WeakPolarHBondContact O-CA 3.33Å; C149-G162 PolarHBondContact O-N 2.92Å; C149-C194 PolarHBondContact SG-SG 2.89Å |
| 150 | I | 93.6 | Very high | 88.6 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 137.4 | 179.9 | -53.3 | 159.4 | 0 | 0 | 0 | 109.8 | R103 V112 T114 V160 | R103-I150 HydrophobicContact CB-CB 4.39Å; R103-I150 HydrophobicContact CB-CG2 4.27Å; R103-I150 VanDerWaalsContact CD-O 3.25Å; R103-I150 WeakPolarHBondContact CD-O 3.32Å; R103-I150 PolarHBondContact NH1-O 3.35Å; R103-I150 VanDerWaalsContact NH1-O 3.08Å; V112-I150 HydrophobicContact CB-CD1 4.36Å; V112-I150 HydrophobicContact CB-CG2 4.45Å; V112-I150 HydrophobicContact CG1-CD1 3.88Å; V112-I150 HydrophobicContact CG1-CG2 4.42Å; T114-I150 HydrophobicContact CG2-CD1 3.54Å; T114-I150 HydrophobicContact CG2-CG1 3.55Å; I150-V160 WeakPolarHBondContact CA-O 3.37Å |
| 151 | D | 92.5 | Very high | 88.8 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.011 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 150.7 | 163.7 | -167.6 | 35.7 | 0 | 0 | 0 | 111.9 | R103 F159 V160 C194 F195 F196 K300 | R103-D151 IonicContact CZ-OD1 3.41Å; R103-D151 IonicContact NE-OD1 2.79Å; R103-D151 IonicContact NH1-OD1 3.03Å; R103-D151 PolarHBondContact NH1-OD1 3.16Å; R103-D151 VanDerWaalsContact NH1-OD1 3.16Å; R103-D151 IonicContact NH2-OD1 2.83Å; R103-D151 PolarHBondContact NH2-OD1 3.4Å; R103-D151 VanDerWaalsContact NH2-OD1 3.12Å; D151-F159 CarbonylContact O-C 3.47Å; D151-F159 VanDerWaalsContact O-CA 3.23Å; D151-F159 WeakPolarHBondContact O-CA 3.45Å; D151-F159 WeakPolarHBondContact O-CB 3.45Å; D151-V160 HydrophobicContact CB-CG1 3.93Å; D151-V160 PolarHBondContact N-O 2.79Å; D151-V160 PolarHBondContact O-N 2.86Å; D151-C194 WeakPolarHBondContact CB-O 3.29Å; D151-F195 WeakPolarHBondContact OD2-CA 3.35Å; D151-F196 PolarHBondContact OD2-N 2.92Å; D151-K300 WeakPolarHBondContact OD2-CE 3.48Å; D151-K300 IonicContact OD2-NZ 3.88Å |
| 152 | W | 93.7 | Very high | 89.1 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 152.4 | -178.1 | -79 | 95.6 | 0 | 0 | 0 | 110.7 | R103 F104 P106 V112 L121 S156 F159 A173 K300 | R103-W152 PolarHBondContact O-NE1 3.03Å; R103-W152 VanDerWaalsContact O-NE1 3.07Å; F104-W152 VanDerWaalsContact O-CD1 3.3Å; F104-W152 PolarHBondContact O-NE1 3.36Å; P106-W152 HydrophobicContact CG-CB 4.14Å; V112-W152 HydrophobicContact CB-CZ2 4.21Å; V112-W152 HydrophobicContact CG2-CH2 3.96Å; V112-W152 HydrophobicContact CG2-CZ2 3.38Å; L121-W152 HydrophobicContact CD1-CH2 3.67Å; L121-W152 HydrophobicContact CD1-CZ2 3.98Å; W152-S156 WeakPolarHBondContact CZ3-O 3.35Å; W152-F159 HydrophobicContact CD2-CB 3.85Å; W152-F159 HydrophobicContact CE3-CB 3.81Å; W152-F159 HydrophobicContact CE3-CD1 4.43Å; W152-F159 HydrophobicContact CG-CB 4.32Å; W152-F159 HydrophobicContact CH2-CD1 4.1Å; W152-F159 HydrophobicContact CZ3-CB 4.22Å; W152-F159 AromaticContact CZ3-CD1 3.98Å; W152-F159 HydrophobicContact CZ3-CD1 3.98Å; W152-A173 HydrophobicContact CH2-CB 4.29Å; W152-A173 HydrophobicContact CZ3-CB 3.97Å; W152-K300 PolarHBondContact O-NZ 3Å |
| 153 | T | 91.5 | Very high | 89.7 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | trans | -71.4 | 153.7 | 162.1 | 57.1 | 0 | 0 | 0 | 0 | 110.6 | P106 D155 S156 K157 C158 F196 L201 L221 | P106-T153 WeakPolarHBondContact CG-O 3.22Å; T153-D155 VanDerWaalsContact CB-OD1 3.31Å; T153-D155 WeakPolarHBondContact CB-OD1 3.45Å; T153-D155 PolarHBondContact O-N 2.93Å; T153-D155 PolarHBondContact OG1-OD1 2.98Å; T153-S156 PolarHBondContact O-N 3.35Å; T153-K157 PolarHBondContact OG1-N 3.44Å; T153-C158 HydrophobicContact CG2-CB 3.75Å; T153-C158 PolarHBondContact N-O 3.45Å; T153-C158 PolarHBondContact OG1-N 2.88Å; T153-C158 VanDerWaalsContact OG1-N 3.08Å; T153-C158 PolarHBondContact OG1-O 3.37Å; T153-C158 VanDerWaalsContact OG1-O 3.11Å; T153-F196 HydrophobicContact CG2-CD1 3.87Å; T153-F196 HydrophobicContact CG2-CD2 3.86Å; T153-F196 HydrophobicContact CG2-CE1 3.83Å; T153-F196 HydrophobicContact CG2-CE2 3.8Å; T153-F196 HydrophobicContact CG2-CG 3.88Å; T153-F196 HydrophobicContact CG2-CZ 3.79Å; T153-L201 HydrophobicContact CG2-CD2 3.99Å; T153-L221 HydrophobicContact CG2-CD2 4.38Å | ||
| 154 | D | 86.9 | Confident | 90 | Very high | 57 Ų | 57 | 30.7 Ų | 30.7 | 31% | 0.305 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -26.8 | -176.3 | -57.5 | -32.2 | 0 | 0 | 0 | 112.5 | S156 K198 D199 K300 | D154-S156 VanDerWaalsContact C-N 3.33Å; D154-K198 WeakPolarHBondContact OD2-CA 3.24Å; D154-D199 PolarHBondContact OD2-N 2.99Å; D154-K300 VanDerWaalsContact OD1-CD 3.26Å; D154-K300 WeakPolarHBondContact OD1-CD 3.37Å; D154-K300 IonicContact OD1-NZ 3.85Å; D154-K300 PolarHBondContact OD1-NZ 3.26Å |
| 155 | D | 86.7 | Confident | 90.2 | Very high | 50 Ų | 50 | 24.9 Ų | 24.9 | 27% | 0.267 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 4.6 | 175.8 | 71.6 | -9.1 | 0 | 0 | 0 | 114.4 | T153 K157 | T153-D155 VanDerWaalsContact CB-OD1 3.31Å; T153-D155 WeakPolarHBondContact CB-OD1 3.45Å; T153-D155 PolarHBondContact O-N 2.93Å; T153-D155 PolarHBondContact OG1-OD1 2.98Å; D155-K157 HydrophobicContact CB-CG 4.35Å; D155-K157 PolarHBondContact O-N 3.33Å; D155-K157 VanDerWaalsContact O-N 3.1Å; D155-K157 WeakPolarHBondContact OD1-CB 3.42Å; D155-K157 PolarHBondContact OD1-N 3.49Å; D155-K157 VanDerWaalsContact OD1-N 3.13Å; D155-K157 WeakPolarHBondContact OD2-CD 3.22Å; D155-K157 WeakPolarHBondContact OD2-CE 3.24Å; D155-K157 WeakPolarHBondContact OD2-CG 3.42Å; D155-K157 IonicContact OD2-NZ 2.77Å; D155-K157 PolarHBondContact OD2-NZ 2.88Å |
| 156 | S | 88.5 | Confident | 90.3 | Very high | 14 Ų | 14 | 25.2 Ų | 25.2 | 10% | 0.098 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 59.6 | 14.1 | -179.1 | -51 | 0 | 0 | 0 | 0 | 115.4 | P106 D107 W152 T153 D154 | P106-S156 VanDerWaalsContact CD-OG 3.25Å; P106-S156 WeakPolarHBondContact CD-OG 3.4Å; D107-S156 PolarHBondContact N-OG 2.85Å; D107-S156 VanDerWaalsContact N-OG 3.14Å; W152-S156 WeakPolarHBondContact CZ3-O 3.35Å; T153-S156 PolarHBondContact O-N 3.35Å; D154-S156 VanDerWaalsContact C-N 3.33Å |
| 157 | K | 86.7 | Confident | 90.4 | Very high | 61 Ų | 61 | 21.5 Ų | 21.5 | 27% | 0.265 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -83.6 | -33.8 | -177 | -67.7 | -173.9 | -162.5 | 129.3 | 0 | 113.7 | T153 D155 A173 W176 L224 | T153-K157 PolarHBondContact OG1-N 3.44Å; D155-K157 HydrophobicContact CB-CG 4.35Å; D155-K157 PolarHBondContact O-N 3.33Å; D155-K157 VanDerWaalsContact O-N 3.1Å; D155-K157 WeakPolarHBondContact OD1-CB 3.42Å; D155-K157 PolarHBondContact OD1-N 3.49Å; D155-K157 VanDerWaalsContact OD1-N 3.13Å; D155-K157 WeakPolarHBondContact OD2-CD 3.22Å; D155-K157 WeakPolarHBondContact OD2-CE 3.24Å; D155-K157 WeakPolarHBondContact OD2-CG 3.42Å; D155-K157 IonicContact OD2-NZ 2.77Å; D155-K157 PolarHBondContact OD2-NZ 2.88Å; K157-A173 PolarHBondContact O-N 3.24Å; K157-W176 HydrophobicContact CB-CZ2 3.84Å; K157-W176 HydrophobicContact CD-CH2 3.77Å; K157-W176 HydrophobicContact CD-CZ2 3.64Å; K157-W176 HydrophobicContact CG-CH2 4.35Å; K157-W176 HydrophobicContact CG-CZ2 3.82Å; K157-W176 PolarHBondContact O-NE1 3.28Å; K157-L224 HydrophobicContact CB-CD1 4.41Å; K157-L224 HydrophobicContact CD-CD1 4.25Å |
| 158 | C | 88.4 | Confident | 90.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 155.5 | -177.9 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | T153 F171 L201 | T153-C158 HydrophobicContact CG2-CB 3.75Å; T153-C158 PolarHBondContact N-O 3.45Å; T153-C158 PolarHBondContact OG1-N 2.88Å; T153-C158 VanDerWaalsContact OG1-N 3.08Å; T153-C158 PolarHBondContact OG1-O 3.37Å; T153-C158 VanDerWaalsContact OG1-O 3.11Å; C158-F171 CarbonylContact C-O 3.55Å; C158-F171 VanDerWaalsContact CA-O 3.26Å; C158-F171 WeakPolarHBondContact CA-O 3.36Å; C158-F171 WeakPolarHBondContact CB-O 3.13Å; C158-L201 HydrophobicContact CB-CD2 4.41Å |
| 159 | F | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 155.7 | 172.2 | 64.4 | -88.1 | 0 | 0 | 0 | 109.5 | V112 A119 Y140 D151 W152 V161 F171 | V112-F159 HydrophobicContact CG1-CD2 4.43Å; V112-F159 HydrophobicContact CG1-CE2 4.16Å; V112-F159 HydrophobicContact CG2-CD1 4.23Å; V112-F159 HydrophobicContact CG2-CD2 4.21Å; V112-F159 HydrophobicContact CG2-CE1 4.17Å; V112-F159 HydrophobicContact CG2-CE2 4.13Å; V112-F159 HydrophobicContact CG2-CG 4.26Å; V112-F159 HydrophobicContact CG2-CZ 4.11Å; A119-F159 HydrophobicContact CB-CE2 4.29Å; Y140-F159 HydrophobicContact CD1-CZ 4.39Å; Y140-F159 HydrophobicContact CD2-CE1 4.47Å; Y140-F159 AromaticContact CD2-CZ 3.68Å; Y140-F159 HydrophobicContact CD2-CZ 3.68Å; Y140-F159 HydrophobicContact CE1-CZ 4.28Å; Y140-F159 AromaticContact CE2-CE1 3.93Å; Y140-F159 HydrophobicContact CE2-CE1 3.93Å; Y140-F159 AromaticContact CE2-CZ 3.59Å; Y140-F159 HydrophobicContact CE2-CZ 3.59Å; Y140-F159 HydrophobicContact CG-CZ 4.09Å; Y140-F159 AromaticContact CZ-CE1 3.93Å; Y140-F159 AromaticContact CZ-CZ 3.89Å; D151-F159 CarbonylContact O-C 3.47Å; D151-F159 VanDerWaalsContact O-CA 3.23Å; D151-F159 WeakPolarHBondContact O-CA 3.45Å; D151-F159 WeakPolarHBondContact O-CB 3.45Å; W152-F159 HydrophobicContact CD2-CB 3.85Å; W152-F159 HydrophobicContact CE3-CB 3.81Å; W152-F159 HydrophobicContact CE3-CD1 4.43Å; W152-F159 HydrophobicContact CG-CB 4.32Å; W152-F159 HydrophobicContact CH2-CD1 4.1Å; W152-F159 HydrophobicContact CZ3-CB 4.22Å; W152-F159 AromaticContact CZ3-CD1 3.98Å; W152-F159 HydrophobicContact CZ3-CD1 3.98Å; F159-V161 HydrophobicContact CD2-CG2 3.86Å; F159-V161 HydrophobicContact CE2-CG2 3.84Å; F159-F171 HydrophobicContact CD1-CB 4.25Å; F159-F171 HydrophobicContact CD2-CB 4.13Å; F159-F171 HydrophobicContact CD2-CD2 4.33Å; F159-F171 HydrophobicContact CE1-CB 3.75Å; F159-F171 HydrophobicContact CE2-CB 3.62Å; F159-F171 AromaticContact CE2-CD2 3.64Å; F159-F171 HydrophobicContact CE2-CD2 3.64Å; F159-F171 HydrophobicContact CE2-CG 4.02Å; F159-F171 HydrophobicContact CG-CB 4.41Å; F159-F171 HydrophobicContact CZ-CB 3.4Å; F159-F171 VanDerWaalsContact CZ-CB 3.4Å; F159-F171 HydrophobicContact CZ-CD2 4.11Å; F159-F171 HydrophobicContact CZ-CG 4.05Å; F159-F171 PolarHBondContact N-O 2.8Å; F159-F171 PolarHBondContact O-N 3.35Å; F159-F171 VanDerWaalsContact O-O 3.07Å |
| 160 | V | 91.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 143.3 | -178.6 | 64.6 | 0 | 0 | 0 | 0 | 109.2 | I150 D151 T168 W169 V170 C194 F196 L203 | I150-V160 WeakPolarHBondContact CA-O 3.37Å; D151-V160 HydrophobicContact CB-CG1 3.93Å; D151-V160 PolarHBondContact N-O 2.79Å; D151-V160 PolarHBondContact O-N 2.86Å; V160-T168 HydrophobicContact CG2-CG2 3.2Å; V160-W169 CarbonylContact C-O 3.59Å; V160-W169 WeakPolarHBondContact CA-O 3.39Å; V160-W169 WeakPolarHBondContact CG2-O 3.45Å; V160-V170 HydrophobicContact CG2-CG2 4.22Å; V160-C194 HydrophobicContact CG1-CB 3.92Å; V160-C194 HydrophobicContact CG2-CB 4.08Å; V160-F196 HydrophobicContact CB-CE2 3.64Å; V160-F196 HydrophobicContact CB-CZ 3.83Å; V160-F196 HydrophobicContact CG1-CD2 3.92Å; V160-F196 HydrophobicContact CG1-CE2 3.5Å; V160-F196 VanDerWaalsContact CG1-CE2 3.5Å; V160-F196 HydrophobicContact CG1-CZ 4.12Å; V160-L203 HydrophobicContact CB-CD2 4.05Å; V160-L203 HydrophobicContact CG1-CD2 3.95Å; V160-L203 HydrophobicContact CG2-CD1 4.45Å; V160-L203 HydrophobicContact CG2-CD2 3.99Å |
| 161 | V | 91.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.6 | -179.7 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | T114 A119 P143 T147 C149 F159 T168 W169 F171 | T114-V161 HydrophobicContact CG2-CG1 4.02Å; A119-V161 HydrophobicContact CB-CG2 4.08Å; P143-V161 HydrophobicContact CG-CG1 4.34Å; T147-V161 HydrophobicContact CG2-CG1 3.52Å; C149-V161 WeakPolarHBondContact O-CA 3.33Å; F159-V161 HydrophobicContact CD2-CG2 3.86Å; F159-V161 HydrophobicContact CE2-CG2 3.84Å; V161-T168 WeakPolarHBondContact O-CA 3.33Å; V161-W169 PolarHBondContact N-O 3.32Å; V161-W169 PolarHBondContact O-N 2.72Å; V161-F171 HydrophobicContact CB-CD2 4.45Å; V161-F171 HydrophobicContact CB-CE2 4.24Å; V161-F171 HydrophobicContact CG2-CD2 3.92Å; V161-F171 HydrophobicContact CG2-CE2 4.06Å |
| 162 | G | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 153.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T147 T148 C149 | T147-G162 CarbonylContact C-O 3.57Å; T147-G162 WeakPolarHBondContact CA-O 3.26Å; T148-G162 PolarHBondContact N-O 3.25Å; T148-G162 PolarHBondContact OG1-O 3.44Å; C149-G162 PolarHBondContact O-N 2.92Å |
| 163 | S | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 158 | -177.5 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | D145 E146 D165 S167 I191 | D145-S163 PolarHBondContact O-OG 3.37Å; E146-S163 CarbonylContact O-C 3.57Å; E146-S163 WeakPolarHBondContact O-CA 3.48Å; E146-S163 PolarHBondContact O-OG 3.36Å; S163-D165 WeakPolarHBondContact CB-OD1 3.45Å; S163-D165 PolarHBondContact O-N 3.49Å; S163-D165 PolarHBondContact OG-N 2.81Å; S163-D165 PolarHBondContact OG-OD1 3.37Å; S163-D165 VanDerWaalsContact OG-OD1 3.07Å; S163-D165 PolarHBondContact OG-OD2 2.91Å; S163-S167 PolarHBondContact N-O 2.84Å; S163-I191 PolarHBondContact O-N 3.36Å |
| 164 | K | 90.6 | Very high | 88.7 | Confident | 76 Ų | 76 | 22.9 Ų | 22.9 | 33% | 0.33 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -19.8 | 170.6 | -71 | -169.4 | -177.5 | 170 | 0 | 112.9 | D145 E146 T148 M166 I190 | D145-K164 HydrophobicContact CB-CB 4.14Å; D145-K164 WeakPolarHBondContact OD2-CB 3.25Å; E146-K164 HydrophobicContact CB-CD 4.02Å; E146-K164 HydrophobicContact CB-CG 4.32Å; E146-K164 WeakPolarHBondContact O-CG 3.42Å; E146-K164 PolarHBondContact O-N 3.42Å; E146-K164 WeakPolarHBondContact OE2-CE 3.35Å; E146-K164 IonicContact OE2-NZ 3.16Å; E146-K164 PolarHBondContact OE2-NZ 3.18Å; T148-K164 HydrophobicContact CG2-CG 3.79Å; K164-M166 PolarHBondContact O-N 3.3Å; K164-I190 HydrophobicContact CB-CG1 4.29Å; K164-I190 HydrophobicContact CB-CG2 4.44Å; K164-I190 HydrophobicContact CD-CD1 4.33Å; K164-I190 HydrophobicContact CG-CD1 4.21Å; K164-I190 HydrophobicContact CG-CG1 4.27Å; K164-I190 HydrophobicContact CG-CG2 3.89Å |
| 165 | D | 88.7 | Confident | 88.1 | Confident | 38 Ų | 38 | 26.6 Ų | 26.6 | 20% | 0.203 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 13.4 | 174.7 | 66.3 | 22.3 | 0 | 0 | 0 | 114.8 | Y144 D145 S163 S167 | Y144-D165 PolarHBondContact N-OD2 2.99Å; D145-D165 HydrophobicContact CB-CB 3.84Å; S163-D165 WeakPolarHBondContact CB-OD1 3.45Å; S163-D165 PolarHBondContact O-N 3.49Å; S163-D165 PolarHBondContact OG-N 2.81Å; S163-D165 PolarHBondContact OG-OD1 3.37Å; S163-D165 VanDerWaalsContact OG-OD1 3.07Å; S163-D165 PolarHBondContact OG-OD2 2.91Å; D165-S167 VanDerWaalsContact CG-OG 3.23Å; D165-S167 PolarHBondContact O-N 3Å; D165-S167 VanDerWaalsContact O-N 3.11Å; D165-S167 WeakPolarHBondContact OD1-CA 3.42Å; D165-S167 VanDerWaalsContact OD1-CB 3.23Å; D165-S167 WeakPolarHBondContact OD1-CB 3.5Å; D165-S167 PolarHBondContact OD1-N 3.39Å; D165-S167 PolarHBondContact OD1-OG 3.33Å; D165-S167 PolarHBondContact OD2-OG 2.94Å |
| 166 | M | 90.6 | Very high | 87.7 | Confident | 82 Ų | 82 | 25.1 Ų | 25.1 | 40% | 0.404 | 12% | 0.115 | S | C | . | . | S | Bend | trans | 64.8 | 9.7 | 180 | -44.3 | 166.2 | -172.8 | 0 | 0 | 114 | K164 H187 K188 I191 | K164-M166 PolarHBondContact O-N 3.3Å; M166-H187 HydrophobicContact CB-CB 4.37Å; M166-K188 WeakPolarHBondContact CE-O 3.14Å; M166-I191 VanDerWaalsContact C-CD1 3.48Å |
| 167 | S | 90.1 | Very high | 86.6 | Confident | 12 Ų | 12 | 26.6 Ų | 26.6 | 8% | 0.084 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 144.6 | -178.3 | 82.9 | 0 | 0 | 0 | 0 | 113 | S163 D165 W169 L184 I191 | S163-S167 PolarHBondContact N-O 2.84Å; D165-S167 VanDerWaalsContact CG-OG 3.23Å; D165-S167 PolarHBondContact O-N 3Å; D165-S167 VanDerWaalsContact O-N 3.11Å; D165-S167 WeakPolarHBondContact OD1-CA 3.42Å; D165-S167 VanDerWaalsContact OD1-CB 3.23Å; D165-S167 WeakPolarHBondContact OD1-CB 3.5Å; D165-S167 PolarHBondContact OD1-N 3.39Å; D165-S167 PolarHBondContact OD1-OG 3.33Å; D165-S167 PolarHBondContact OD2-OG 2.94Å; S167-W169 PolarHBondContact OG-NE1 2.9Å; S167-L184 WeakPolarHBondContact CA-O 3.13Å; S167-I191 WeakPolarHBondContact O-CD1 3.45Å |
| 168 | T | 90.6 | Very high | 86 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 134.4 | 176.3 | -50.1 | 0 | 0 | 0 | 0 | 109.9 | V160 V161 L184 I191 C194 T205 | V160-T168 HydrophobicContact CG2-CG2 3.2Å; V161-T168 WeakPolarHBondContact O-CA 3.33Å; T168-L184 PolarHBondContact N-O 3.36Å; T168-L184 WeakPolarHBondContact O-CB 3.48Å; T168-L184 PolarHBondContact O-N 2.88Å; T168-I191 WeakPolarHBondContact OG1-CD1 3.41Å; T168-C194 HydrophobicContact CG2-CB 4.11Å; T168-T205 HydrophobicContact CG2-CG2 3.9Å; T168-T205 WeakPolarHBondContact OG1-CG2 3.27Å |
| 169 | W | 89.7 | Confident | 85.4 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.1 | -178.3 | -71.6 | 78.4 | 0 | 0 | 0 | 111.2 | G142 P143 Y144 V160 V161 S167 F171 | G142-W169 WeakPolarHBondContact O-CZ2 3.17Å; P143-W169 HydrophobicContact CG-CG 4.24Å; Y144-W169 HydrophobicContact CE2-CZ2 4.34Å; V160-W169 CarbonylContact C-O 3.59Å; V160-W169 WeakPolarHBondContact CA-O 3.39Å; V160-W169 WeakPolarHBondContact CG2-O 3.45Å; V161-W169 PolarHBondContact N-O 3.32Å; V161-W169 PolarHBondContact O-N 2.72Å; S167-W169 PolarHBondContact OG-NE1 2.9Å; W169-F171 HydrophobicContact CB-CD2 4.29Å; W169-F171 HydrophobicContact CB-CE2 3.57Å; W169-F171 HydrophobicContact CB-CZ 3.74Å; W169-F171 HydrophobicContact CD2-CZ 4.32Å; W169-F171 HydrophobicContact CE3-CE1 4.27Å; W169-F171 HydrophobicContact CE3-CZ 4.1Å; W169-F171 HydrophobicContact CG-CE2 4.43Å; W169-F171 HydrophobicContact CG-CZ 4.22Å |
| 170 | V | 89.3 | Confident | 84.3 | Confident | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.024 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 119.9 | 175.1 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | V160 L184 F196 L203 Y276 | V160-V170 HydrophobicContact CG2-CG2 4.22Å; V170-L184 HydrophobicContact CG2-CD1 4.01Å; V170-F196 HydrophobicContact CG1-CZ 4.39Å; V170-L203 HydrophobicContact CG2-CD1 3.42Å; V170-L203 VanDerWaalsContact CG2-CD1 3.42Å; V170-Y276 HydrophobicContact CB-CE2 4.4Å; V170-Y276 HydrophobicContact CG1-CE2 4.41Å; V170-Y276 HydrophobicContact CG2-CE2 4.02Å |
| 171 | F | 88.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 156.1 | 178.6 | -63.2 | -64.6 | 0 | 0 | 0 | 111.5 | Y140 C158 F159 V161 W169 Y181 | Y140-F171 HydrophobicContact CD1-CB 4Å; Y140-F171 AromaticContact CD1-CD1 3.51Å; Y140-F171 HydrophobicContact CD1-CD1 3.51Å; Y140-F171 HydrophobicContact CD1-CE1 4.11Å; Y140-F171 AromaticContact CD1-CG 3.8Å; Y140-F171 HydrophobicContact CD1-CG 3.8Å; Y140-F171 HydrophobicContact CE1-CB 4.06Å; Y140-F171 HydrophobicContact CE1-CD1 4.24Å; Y140-F171 HydrophobicContact CE1-CG 4.36Å; Y140-F171 HydrophobicContact CG-CD1 4.18Å; Y140-F171 HydrophobicContact CG-CG 4.22Å; C158-F171 CarbonylContact C-O 3.55Å; C158-F171 VanDerWaalsContact CA-O 3.26Å; C158-F171 WeakPolarHBondContact CA-O 3.36Å; C158-F171 WeakPolarHBondContact CB-O 3.13Å; F159-F171 HydrophobicContact CD1-CB 4.25Å; F159-F171 HydrophobicContact CD2-CB 4.13Å; F159-F171 HydrophobicContact CD2-CD2 4.33Å; F159-F171 HydrophobicContact CE1-CB 3.75Å; F159-F171 HydrophobicContact CE2-CB 3.62Å; F159-F171 AromaticContact CE2-CD2 3.64Å; F159-F171 HydrophobicContact CE2-CD2 3.64Å; F159-F171 HydrophobicContact CE2-CG 4.02Å; F159-F171 HydrophobicContact CG-CB 4.41Å; F159-F171 HydrophobicContact CZ-CB 3.4Å; F159-F171 VanDerWaalsContact CZ-CB 3.4Å; F159-F171 HydrophobicContact CZ-CD2 4.11Å; F159-F171 HydrophobicContact CZ-CG 4.05Å; F159-F171 PolarHBondContact N-O 2.8Å; F159-F171 PolarHBondContact O-N 3.35Å; F159-F171 VanDerWaalsContact O-O 3.07Å; V161-F171 HydrophobicContact CB-CD2 4.45Å; V161-F171 HydrophobicContact CB-CE2 4.24Å; V161-F171 HydrophobicContact CG2-CD2 3.92Å; V161-F171 HydrophobicContact CG2-CE2 4.06Å; W169-F171 HydrophobicContact CB-CD2 4.29Å; W169-F171 HydrophobicContact CB-CE2 3.57Å; W169-F171 HydrophobicContact CB-CZ 3.74Å; W169-F171 HydrophobicContact CD2-CZ 4.32Å; W169-F171 HydrophobicContact CE3-CE1 4.27Å; W169-F171 HydrophobicContact CE3-CZ 4.1Å; W169-F171 HydrophobicContact CG-CE2 4.43Å; W169-F171 HydrophobicContact CG-CZ 4.22Å; F171-Y181 AromaticContact CD1-CD1 3.88Å; F171-Y181 HydrophobicContact CD1-CD1 3.88Å; F171-Y181 AromaticContact CD1-CG 3.98Å; F171-Y181 HydrophobicContact CD1-CG 3.98Å; F171-Y181 HydrophobicContact CE1-CG 4.45Å |
| 172 | G | 85.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 128.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y140 E174 Y181 | Y140-G172 PolarHBondContact OH-O 3.27Å; G172-E174 CarbonylContact C-O 3.6Å; G172-E174 PolarHBondContact O-N 3.46Å; G172-Y181 VanDerWaalsContact N-CE1 3.25Å |
| 173 | A | 82.9 | Confident | 82.2 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.033 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -61.3 | -34.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L121 K138 Y140 W152 K157 | L121-A173 HydrophobicContact CD2-CB 4.29Å; K138-A173 PolarHBondContact NZ-O 3.41Å; Y140-A173 PolarHBondContact OH-O 3.28Å; W152-A173 HydrophobicContact CH2-CB 4.29Å; W152-A173 HydrophobicContact CZ3-CB 3.97Å; K157-A173 PolarHBondContact O-N 3.24Å |
| 174 | E | 80.3 | Confident | 81.9 | Confident | 80 Ų | 80 | 31.5 Ų | 31.5 | 37% | 0.374 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -107.2 | 164.7 | 169.3 | -65.5 | -173 | 170.2 | 0 | 0 | 111.7 | G172 W176 Y181 L226 | G172-E174 CarbonylContact C-O 3.6Å; G172-E174 PolarHBondContact O-N 3.46Å; E174-W176 HydrophobicContact CB-CZ2 4.01Å; E174-W176 VanDerWaalsContact O-CD1 3.22Å; E174-W176 PolarHBondContact O-N 2.82Å; E174-W176 PolarHBondContact O-NE1 2.79Å; E174-Y181 PolarHBondContact O-OH 2.84Å; E174-L226 WeakPolarHBondContact OE2-CD1 3.24Å |
| 175 | R | 73.8 | Confident | 81.5 | Confident | 135 Ų | 135 | 30.5 Ų | 30.5 | 51% | 0.509 | 17% | 0.166 | S | C | . | . | trans | -83.7 | 101.2 | 178.4 | -165.7 | 170.1 | -174.3 | 170.4 | 5 | 109.2 | K227 | R175-K227 HydrophobicContact CG-CB 4.35Å; R175-K227 HydrophobicContact CG-CD 4.12Å; R175-K227 WeakPolarHBondContact O-CB 3.41Å; R175-K227 PolarHBondContact O-N 2.8Å | ||
| 176 | W | 77.9 | Confident | 81.2 | Confident | 20 Ų | 20 | 30.3 Ų | 30.3 | 8% | 0.076 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -87.4 | 141.6 | 175 | -54.5 | 105.4 | 0 | 0 | 0 | 110.4 | K157 E174 N178 L179 L224 V225 L226 | K157-W176 HydrophobicContact CB-CZ2 3.84Å; K157-W176 HydrophobicContact CD-CH2 3.77Å; K157-W176 HydrophobicContact CD-CZ2 3.64Å; K157-W176 HydrophobicContact CG-CH2 4.35Å; K157-W176 HydrophobicContact CG-CZ2 3.82Å; K157-W176 PolarHBondContact O-NE1 3.28Å; E174-W176 HydrophobicContact CB-CZ2 4.01Å; E174-W176 VanDerWaalsContact O-CD1 3.22Å; E174-W176 PolarHBondContact O-N 2.82Å; E174-W176 PolarHBondContact O-NE1 2.79Å; W176-N178 VanDerWaalsContact C-N 3.31Å; W176-L179 HydrophobicContact CB-CB 3.7Å; W176-L179 HydrophobicContact CG-CB 4.28Å; W176-L224 HydrophobicContact CD2-CB 3.99Å; W176-L224 HydrophobicContact CE3-CB 3.68Å; W176-L224 HydrophobicContact CG-CD2 4.38Å; W176-L224 HydrophobicContact CZ3-CB 3.97Å; W176-V225 CarbonylContact C-O 3.57Å; W176-V225 WeakPolarHBondContact CA-O 3.35Å; W176-L226 HydrophobicContact CE3-CB 4.07Å; W176-L226 HydrophobicContact CE3-CG 4.35Å; W176-L226 HydrophobicContact CH2-CB 4.45Å; W176-L226 HydrophobicContact CH2-CD1 3.98Å; W176-L226 HydrophobicContact CH2-CG 4.25Å; W176-L226 HydrophobicContact CZ3-CB 3.65Å; W176-L226 HydrophobicContact CZ3-CD1 3.99Å; W176-L226 HydrophobicContact CZ3-CG 3.87Å |
| 177 | A | 66 | Low | 81.1 | Confident | 45 Ų | 45 | 27.3 Ų | 27.3 | 37% | 0.372 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -74.5 | -24.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V225 K227 | A177-V225 PolarHBondContact N-O 3.42Å; A177-K227 HydrophobicContact CB-CB 4.34Å |
| 178 | N | 74.2 | Confident | 81 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -106.7 | -12.4 | -176.2 | 63.3 | -34.5 | 0 | 0 | 0 | 114.7 | W176 G223 V225 V271 N273 V274 | W176-N178 VanDerWaalsContact C-N 3.31Å; N178-G223 PolarHBondContact ND2-O 3.19Å; N178-V225 PolarHBondContact OD1-N 3.11Å; N178-V271 HydrophobicContact CB-CG1 3.67Å; N178-N273 WeakPolarHBondContact O-CA 3.41Å; N178-V274 PolarHBondContact O-N 2.85Å |
| 179 | L | 74.9 | Confident | 80.9 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | trans | -93.7 | 118.7 | 173.3 | -168.1 | 70.6 | 0 | 0 | 0 | 109.4 | W176 Y181 L224 V274 | W176-L179 HydrophobicContact CB-CB 3.7Å; W176-L179 HydrophobicContact CG-CB 4.28Å; L179-Y181 HydrophobicContact CD2-CE1 4.16Å; L179-L224 HydrophobicContact CB-CD2 4.37Å; L179-V274 HydrophobicContact CD1-CB 4.02Å; L179-V274 HydrophobicContact CD1-CG1 4.11Å; L179-V274 HydrophobicContact CD1-CG2 4.05Å | ||
| 180 | I | 69.7 | Low | 80.9 | Confident | 38 Ų | 38 | 38.3 Ų | 38.3 | 20% | 0.195 | 21% | 0.208 | C | C | . | . | trans | -106 | 137.1 | 173.3 | -63.7 | 143.8 | 0 | 0 | 0 | 107.7 | Y182 P265 N273 | I180-Y182 HydrophobicContact CB-CD1 4.3Å; I180-Y182 HydrophobicContact CG2-CD1 4.29Å; I180-Y182 WeakPolarHBondContact O-CD1 3.18Å; I180-Y182 PolarHBondContact O-N 2.88Å; I180-P265 HydrophobicContact CD1-CG 3.25Å; I180-P265 HydrophobicContact CG1-CG 4.16Å; I180-N273 HydrophobicContact CD1-CB 3.8Å; I180-N273 WeakPolarHBondContact CD1-OD1 3.34Å | ||
| 181 | Y | 75.8 | Confident | 81.1 | Confident | 25 Ų | 25 | 38.1 Ų | 38.1 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | trans | -83.7 | 99.4 | 178.9 | -45.2 | -53 | 0 | 0 | 0 | 109.3 | F171 G172 E174 L179 I258 K261 | F171-Y181 AromaticContact CD1-CD1 3.88Å; F171-Y181 HydrophobicContact CD1-CD1 3.88Å; F171-Y181 AromaticContact CD1-CG 3.98Å; F171-Y181 HydrophobicContact CD1-CG 3.98Å; F171-Y181 HydrophobicContact CE1-CG 4.45Å; G172-Y181 VanDerWaalsContact N-CE1 3.25Å; E174-Y181 PolarHBondContact O-OH 2.84Å; L179-Y181 HydrophobicContact CD2-CE1 4.16Å; Y181-I258 HydrophobicContact CD2-CG2 3.4Å; Y181-I258 HydrophobicContact CE2-CD1 4.38Å; Y181-I258 HydrophobicContact CE2-CG2 3.3Å; Y181-I258 HydrophobicContact CG-CG2 4.44Å; Y181-K261 PolarHBondContact O-N 3.23Å; Y181-K261 VanDerWaalsContact O-O 3.14Å | ||
| 182 | Y | 72.3 | Confident | 81.2 | Confident | 44 Ų | 44 | 39.5 Ų | 39.5 | 17% | 0.173 | 22% | 0.215 | C | C | . | . | trans | -135.7 | 158.9 | 176.2 | 70 | -92.3 | 0 | 0 | 0 | 110.9 | I180 L184 K261 Y276 | I180-Y182 HydrophobicContact CB-CD1 4.3Å; I180-Y182 HydrophobicContact CG2-CD1 4.29Å; I180-Y182 WeakPolarHBondContact O-CD1 3.18Å; I180-Y182 PolarHBondContact O-N 2.88Å; Y182-L184 HydrophobicContact CE2-CD2 4.09Å; Y182-K261 WeakPolarHBondContact CA-O 3.44Å; Y182-K261 WeakPolarHBondContact CB-O 3.23Å; Y182-Y276 PolarHBondContact OH-N 3.47Å; Y182-Y276 VanDerWaalsContact OH-N 3.11Å | ||
| 183 | S | 83.1 | Confident | 81.5 | Confident | 37 Ų | 37 | 39.6 Ų | 39.6 | 26% | 0.259 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 142.1 | -174.7 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 184 | L | 85.1 | Confident | 82 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 110.2 | 168.3 | -56.8 | 175.4 | 0 | 0 | 0 | 108.1 | S167 T168 V170 Y182 L203 W215 Y276 | S167-L184 WeakPolarHBondContact CA-O 3.13Å; T168-L184 PolarHBondContact N-O 3.36Å; T168-L184 WeakPolarHBondContact O-CB 3.48Å; T168-L184 PolarHBondContact O-N 2.88Å; V170-L184 HydrophobicContact CG2-CD1 4.01Å; Y182-L184 HydrophobicContact CE2-CD2 4.09Å; L184-L203 HydrophobicContact CD1-CD1 3.78Å; L184-W215 HydrophobicContact CB-CH2 4.36Å; L184-W215 HydrophobicContact CB-CZ2 4.2Å; L184-W215 HydrophobicContact CD1-CD2 4.38Å; L184-W215 HydrophobicContact CD1-CG 4.42Å; L184-W215 HydrophobicContact CD2-CE3 4.31Å; L184-W215 HydrophobicContact CD2-CZ3 4.42Å; L184-Y276 HydrophobicContact CD1-CG 4.33Å; L184-Y276 HydrophobicContact CD2-CD2 4.13Å; L184-Y276 HydrophobicContact CD2-CG 3.96Å |
| 185 | G | 82.4 | Confident | 82.6 | Confident | 56 Ų | 56 | 36.3 Ų | 36.3 | 58% | 0.577 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 135.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | W215 | G185-W215 WeakPolarHBondContact O-CH2 3.29Å |
| 186 | G | 82.1 | Confident | 83.6 | Confident | 34 Ų | 34 | 29.9 Ų | 29.9 | 35% | 0.351 | 18% | 0.176 | S | C | . | . | trans | -178.9 | 1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | K281 | G186-K281 PolarHBondContact O-NZ 3.02Š| ||
| 187 | H | 88.5 | Confident | 84.2 | Confident | 18 Ų | 18 | 30.1 Ų | 30.1 | 8% | 0.083 | 18% | 0.178 | C | C | . | . | trans | -104.6 | 158.4 | -176.8 | -67.5 | -63.8 | 0 | 0 | 0 | 111.6 | M166 T205 S207 C213 | M166-H187 HydrophobicContact CB-CB 4.37Å; H187-T205 VanDerWaalsContact NE2-CB 3.32Å; H187-T205 WeakPolarHBondContact NE2-CB 3.26Å; H187-T205 PolarHBondContact NE2-OG1 3.3Å; H187-S207 PolarHBondContact ND1-OG 3.15Å; H187-C213 PolarHBondContact CE1-SG 3.38Å | ||
| 188 | K | 87.9 | Confident | 85.3 | Confident | 155 Ų | 155 | 32.4 Ų | 32.4 | 67% | 0.674 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -100.4 | -16.1 | 176.5 | -68.1 | -178.8 | 176.9 | 179.3 | 0 | 112.7 | M166 | M166-K188 WeakPolarHBondContact CE-O 3.14Š|
| 189 | D | 89 | Confident | 85.8 | Confident | 46 Ų | 46 | 37.3 Ų | 37.3 | 25% | 0.246 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -142 | 175.9 | -171.7 | -158.1 | 0.4 | 0 | 0 | 0 | 110.1 | Q208 D209 | D189-Q208 HydrophobicContact CB-CB 4.45Å; D189-Q208 WeakPolarHBondContact OD2-CB 3.5Å; D189-D209 HydrophobicContact CB-CB 3.92Å; D189-D209 PolarHBondContact OD2-N 3.41Å |
| 190 | I | 90.9 | Very high | 86.3 | Confident | 45 Ų | 45 | 38.1 Ų | 38.1 | 23% | 0.231 | 21% | 0.212 | C | C | . | . | trans | -53.2 | 138.6 | -176.6 | -62.3 | 173.3 | 0 | 0 | 0 | 111.1 | T148 K164 V192 S207 Q208 | T148-I190 HydrophobicContact CG2-CG2 4.02Å; K164-I190 HydrophobicContact CB-CG1 4.29Å; K164-I190 HydrophobicContact CB-CG2 4.44Å; K164-I190 HydrophobicContact CD-CD1 4.33Å; K164-I190 HydrophobicContact CG-CD1 4.21Å; K164-I190 HydrophobicContact CG-CG1 4.27Å; K164-I190 HydrophobicContact CG-CG2 3.89Å; I190-V192 PolarHBondContact O-N 3.46Å; I190-S207 CarbonylContact O-C 3.54Å; I190-S207 VanDerWaalsContact O-CA 3.23Å; I190-S207 WeakPolarHBondContact O-CA 3.27Å; I190-Q208 HydrophobicContact CB-CB 4.29Å; I190-Q208 PolarHBondContact O-N 2.89Å | ||
| 191 | I | 92.5 | Very high | 87 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 121.6 | 173.9 | -65.9 | 155.9 | 0 | 0 | 0 | 109.3 | T148 S163 M166 S167 T168 | T148-I191 VanDerWaalsContact CB-O 3.31Å; T148-I191 WeakPolarHBondContact CB-O 3.33Å; T148-I191 PolarHBondContact OG1-O 3.31Å; S163-I191 PolarHBondContact O-N 3.36Å; M166-I191 VanDerWaalsContact C-CD1 3.48Å; S167-I191 WeakPolarHBondContact O-CD1 3.45Å; T168-I191 WeakPolarHBondContact OG1-CD1 3.41Å |
| 192 | V | 90.1 | Very high | 87.7 | Confident | 28 Ų | 28 | 36.8 Ų | 36.8 | 17% | 0.17 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -37.7 | 178.1 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | I190 V206 Q208 L293 T294 | I190-V192 PolarHBondContact O-N 3.46Å; V192-V206 PolarHBondContact N-O 3.42Å; V192-Q208 HydrophobicContact CG2-CB 3.88Å; V192-L293 HydrophobicContact CB-CD2 4.18Å; V192-L293 HydrophobicContact CG1-CD2 4.24Å; V192-L293 HydrophobicContact CG2-CD2 4.42Å; V192-T294 WeakPolarHBondContact CG1-O 3.19Å |
| 193 | G | 91.5 | Very high | 88.6 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 139.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V206 | G193-V206 PolarHBondContact N-O 3.12Å; G193-V206 PolarHBondContact O-N 2.68Å |
| 194 | C | 93.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.3 | 169.6 | 54.5 | 0 | 0 | 0 | 0 | 108.8 | C149 D151 V160 T168 Y204 T205 | C149-C194 PolarHBondContact SG-SG 2.89Å; D151-C194 WeakPolarHBondContact CB-O 3.29Å; V160-C194 HydrophobicContact CG1-CB 3.92Å; V160-C194 HydrophobicContact CG2-CB 4.08Å; T168-C194 HydrophobicContact CG2-CB 4.11Å; C194-Y204 CarbonylContact C-O 3.58Å; C194-Y204 WeakPolarHBondContact CA-O 3.16Å; C194-T205 HydrophobicContact CB-CG2 4.48Å |
| 195 | F | 94.4 | Very high | 89.5 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 6% | 0.057 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 139.8 | -172.9 | -50.9 | -71.5 | 0 | 0 | 0 | 111.5 | D151 L203 Y204 V206 A296 Y298 L305 | D151-F195 WeakPolarHBondContact OD2-CA 3.35Å; F195-L203 WeakPolarHBondContact O-CA 3.4Å; F195-Y204 PolarHBondContact N-O 2.68Å; F195-Y204 PolarHBondContact O-N 3.42Å; F195-V206 HydrophobicContact CE2-CG2 4.22Å; F195-A296 HydrophobicContact CE2-CB 4.02Å; F195-A296 HydrophobicContact CZ-CB 3.95Å; F195-A296 WeakPolarHBondContact CZ-O 3.49Å; F195-Y298 HydrophobicContact CB-CD1 3.76Å; F195-Y298 HydrophobicContact CB-CG 4.04Å; F195-Y298 HydrophobicContact CG-CD1 4.31Å; F195-Y298 HydrophobicContact CG-CG 4.15Å; F195-L305 HydrophobicContact CD2-CD1 4.14Å; F195-L305 HydrophobicContact CE2-CD1 3.81Å |
| 196 | F | 93.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 143.5 | 167.4 | -74.6 | -77.3 | 0 | 0 | 0 | 111.6 | D151 T153 V160 V170 L201 D202 L203 Y298 K300 | D151-F196 PolarHBondContact OD2-N 2.92Å; T153-F196 HydrophobicContact CG2-CD1 3.87Å; T153-F196 HydrophobicContact CG2-CD2 3.86Å; T153-F196 HydrophobicContact CG2-CE1 3.83Å; T153-F196 HydrophobicContact CG2-CE2 3.8Å; T153-F196 HydrophobicContact CG2-CG 3.88Å; T153-F196 HydrophobicContact CG2-CZ 3.79Å; V160-F196 HydrophobicContact CB-CE2 3.64Å; V160-F196 HydrophobicContact CB-CZ 3.83Å; V160-F196 HydrophobicContact CG1-CD2 3.92Å; V160-F196 HydrophobicContact CG1-CE2 3.5Å; V160-F196 VanDerWaalsContact CG1-CE2 3.5Å; V160-F196 HydrophobicContact CG1-CZ 4.12Å; V170-F196 HydrophobicContact CG1-CZ 4.39Å; F196-L201 HydrophobicContact CE1-CD2 4.29Å; F196-D202 WeakPolarHBondContact CA-O 3.31Å; F196-L203 HydrophobicContact CD1-CD2 3.41Å; F196-L203 VanDerWaalsContact CD1-CD2 3.41Å; F196-L203 HydrophobicContact CD1-CG 3.86Å; F196-L203 HydrophobicContact CD2-CD2 4.18Å; F196-L203 HydrophobicContact CE1-CD1 4.14Å; F196-L203 HydrophobicContact CE1-CD2 3.35Å; F196-L203 HydrophobicContact CE1-CG 3.69Å; F196-L203 HydrophobicContact CE2-CD2 4.14Å; F196-L203 HydrophobicContact CG-CD2 3.84Å; F196-L203 HydrophobicContact CZ-CD2 3.74Å; F196-L203 HydrophobicContact CZ-CG 4.42Å; F196-Y298 WeakPolarHBondContact O-CE1 3.21Å; F196-K300 WeakPolarHBondContact O-CD 2.95Å; F196-K300 WeakPolarHBondContact O-CE 3.3Å; F196-K300 WeakPolarHBondContact O-CG 3.45Å |
| 197 | E | 91.5 | Very high | 90.6 | Very high | 25 Ų | 25 | 28.6 Ų | 28.6 | 12% | 0.117 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 147.7 | 166.2 | 176.1 | 69.4 | -139.7 | 0 | 0 | 110.4 | D199 S200 D202 Y204 Y298 H303 | E197-D199 PolarHBondContact O-N 3.38Å; E197-S200 VanDerWaalsContact CB-OG 3.23Å; E197-S200 WeakPolarHBondContact CB-OG 3.29Å; E197-S200 VanDerWaalsContact CG-OG 3.32Å; E197-S200 WeakPolarHBondContact CG-OG 3.21Å; E197-S200 PolarHBondContact O-N 3.28Å; E197-S200 PolarHBondContact O-OG 3.46Å; E197-D202 HydrophobicContact CB-CB 3.95Å; E197-D202 HydrophobicContact CG-CB 4.44Å; E197-D202 PolarHBondContact N-O 3.47Å; E197-Y204 HydrophobicContact CB-CE2 3.95Å; E197-Y204 WeakPolarHBondContact OE2-CE2 3.16Å; E197-Y204 PolarHBondContact OE2-OH 3.41Å; E197-Y298 PolarHBondContact OE2-OH 3.31Å; E197-Y298 VanDerWaalsContact OE2-OH 3.08Å; E197-H303 IonicContact OE1-CE1 3.83Å; E197-H303 PolarHBondContact OE1-CE1 3.33Å; E197-H303 IonicContact OE1-ND1 3.93Å; E197-H303 PolarHBondContact OE1-ND1 2.93Å; E197-H303 IonicContact OE2-ND1 3.79Å |
| 198 | K | 87.8 | Confident | 90.7 | Very high | 92 Ų | 92 | 30 Ų | 30 | 40% | 0.4 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 134.5 | -175.7 | -175.2 | 179.4 | 176.5 | -178.3 | 0 | 112 | D154 S200 K300 | D154-K198 WeakPolarHBondContact OD2-CA 3.24Å; K198-S200 PolarHBondContact O-N 2.89Å; K198-K300 HydrophobicContact CB-CB 4.11Å |
| 199 | D | 84.6 | Confident | 90.6 | Very high | 108 Ų | 108 | 24.7 Ų | 24.7 | 58% | 0.578 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 26.3 | 176.6 | -60.5 | -44 | 0 | 0 | 0 | 114 | D154 E197 L221 | D154-D199 PolarHBondContact OD2-N 2.99Å; E197-D199 PolarHBondContact O-N 3.38Å; D199-L221 HydrophobicContact CB-CD1 4.48Å; D199-L221 VanDerWaalsContact O-CD1 3.26Å; D199-L221 WeakPolarHBondContact O-CD1 3.36Å |
| 200 | S | 86.3 | Confident | 90.5 | Very high | 25 Ų | 25 | 22.6 Ų | 22.6 | 18% | 0.175 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -143 | 166.9 | 178.7 | 79.2 | 0 | 0 | 0 | 0 | 112 | E197 K198 D202 | E197-S200 VanDerWaalsContact CB-OG 3.23Å; E197-S200 WeakPolarHBondContact CB-OG 3.29Å; E197-S200 VanDerWaalsContact CG-OG 3.32Å; E197-S200 WeakPolarHBondContact CG-OG 3.21Å; E197-S200 PolarHBondContact O-N 3.28Å; E197-S200 PolarHBondContact O-OG 3.46Å; K198-S200 PolarHBondContact O-N 2.89Å; S200-D202 VanDerWaalsContact C-N 3.3Å; S200-D202 PolarHBondContact OG-N 2.72Å |
| 201 | L | 84.9 | Confident | 90.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -92.5 | 8.3 | 171 | -70.5 | 171.6 | 0 | 0 | 0 | 111.2 | T153 C158 F196 L221 Y276 | T153-L201 HydrophobicContact CG2-CD2 3.99Å; C158-L201 HydrophobicContact CB-CD2 4.41Å; F196-L201 HydrophobicContact CE1-CD2 4.29Å; L201-L221 HydrophobicContact CD2-CD2 3.72Å; L201-L221 HydrophobicContact CG-CD2 3.78Å; L201-L221 HydrophobicContact CG-CG 4.43Å; L201-Y276 WeakPolarHBondContact O-CE1 3.41Å; L201-Y276 PolarHBondContact O-OH 3.13Å | ||
| 202 | D | 90.1 | Very high | 90.5 | Very high | 34 Ų | 34 | 20.4 Ų | 20.4 | 18% | 0.182 | 11% | 0.105 | C | C | . | . | trans | -69.5 | 144.5 | 177 | -69 | -3.3 | 0 | 0 | 0 | 109.7 | F196 E197 S200 W215 S217 | F196-D202 WeakPolarHBondContact CA-O 3.31Å; E197-D202 HydrophobicContact CB-CB 3.95Å; E197-D202 HydrophobicContact CG-CB 4.44Å; E197-D202 PolarHBondContact N-O 3.47Å; S200-D202 VanDerWaalsContact C-N 3.3Å; S200-D202 PolarHBondContact OG-N 2.72Å; D202-W215 WeakPolarHBondContact CA-O 3.49Å; D202-S217 WeakPolarHBondContact OD1-CB 3.19Å; D202-S217 PolarHBondContact OD1-N 2.8Å; D202-S217 PolarHBondContact OD1-OG 3.25Å | ||
| 203 | L | 90.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 137.6 | -166.9 | -82.6 | 168.5 | 0 | 0 | 0 | 111.4 | V160 V170 L184 F195 F196 W215 Y276 | V160-L203 HydrophobicContact CB-CD2 4.05Å; V160-L203 HydrophobicContact CG1-CD2 3.95Å; V160-L203 HydrophobicContact CG2-CD1 4.45Å; V160-L203 HydrophobicContact CG2-CD2 3.99Å; V170-L203 HydrophobicContact CG2-CD1 3.42Å; V170-L203 VanDerWaalsContact CG2-CD1 3.42Å; L184-L203 HydrophobicContact CD1-CD1 3.78Å; F195-L203 WeakPolarHBondContact O-CA 3.4Å; F196-L203 HydrophobicContact CD1-CD2 3.41Å; F196-L203 VanDerWaalsContact CD1-CD2 3.41Å; F196-L203 HydrophobicContact CD1-CG 3.86Å; F196-L203 HydrophobicContact CD2-CD2 4.18Å; F196-L203 HydrophobicContact CE1-CD1 4.14Å; F196-L203 HydrophobicContact CE1-CD2 3.35Å; F196-L203 HydrophobicContact CE1-CG 3.69Å; F196-L203 HydrophobicContact CE2-CD2 4.14Å; F196-L203 HydrophobicContact CG-CD2 3.84Å; F196-L203 HydrophobicContact CZ-CD2 3.74Å; F196-L203 HydrophobicContact CZ-CG 4.42Å; L203-W215 HydrophobicContact CB-CB 3.95Å; L203-W215 HydrophobicContact CB-CG 4.43Å; L203-W215 PolarHBondContact N-O 3.49Å; L203-W215 PolarHBondContact O-N 3.16Å; L203-Y276 HydrophobicContact CD1-CD1 4.11Å; L203-Y276 HydrophobicContact CD1-CE1 3.44Å; L203-Y276 VanDerWaalsContact CD1-CE1 3.44Å; L203-Y276 HydrophobicContact CG-CE1 4.05Å |
| 204 | Y | 94.1 | Very high | 90.7 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 2% | 0.024 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 135.2 | 167.4 | -57.3 | -67 | 0 | 0 | 0 | 109.5 | C194 F195 E197 V214 Y298 L319 | C194-Y204 CarbonylContact C-O 3.58Å; C194-Y204 WeakPolarHBondContact CA-O 3.16Å; F195-Y204 PolarHBondContact N-O 2.68Å; F195-Y204 PolarHBondContact O-N 3.42Å; E197-Y204 HydrophobicContact CB-CE2 3.95Å; E197-Y204 WeakPolarHBondContact OE2-CE2 3.16Å; E197-Y204 PolarHBondContact OE2-OH 3.41Å; Y204-V214 HydrophobicContact CD1-CB 4.3Å; Y204-V214 HydrophobicContact CD1-CG1 4.1Å; Y204-V214 HydrophobicContact CD1-CG2 3.89Å; Y204-V214 HydrophobicContact CE1-CB 4.24Å; Y204-V214 HydrophobicContact CE1-CG1 3.65Å; Y204-V214 HydrophobicContact CE1-CG2 3.86Å; Y204-Y298 HydrophobicContact CD2-CE1 4.31Å; Y204-Y298 HydrophobicContact CE2-CE1 4.29Å; Y204-Y298 HydrophobicContact CE2-CE2 4.48Å; Y204-Y298 AromaticContact CE2-CZ 3.95Å; Y204-L319 HydrophobicContact CD1-CD1 3.92Å; Y204-L319 HydrophobicContact CD2-CD1 3.96Å; Y204-L319 HydrophobicContact CE1-CB 4.5Å; Y204-L319 HydrophobicContact CE1-CD1 4.07Å; Y204-L319 HydrophobicContact CE2-CD1 4.1Å; Y204-L319 HydrophobicContact CG-CD1 3.86Å |
| 205 | T | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 130.9 | 178.7 | 52.4 | 0 | 0 | 0 | 0 | 108.9 | T168 H187 C194 L212 C213 W215 | T168-T205 HydrophobicContact CG2-CG2 3.9Å; T168-T205 WeakPolarHBondContact OG1-CG2 3.27Å; H187-T205 VanDerWaalsContact NE2-CB 3.32Å; H187-T205 WeakPolarHBondContact NE2-CB 3.26Å; H187-T205 PolarHBondContact NE2-OG1 3.3Å; C194-T205 HydrophobicContact CB-CG2 4.48Å; T205-L212 CarbonylContact O-C 3.58Å; T205-L212 WeakPolarHBondContact O-CA 3.44Å; T205-C213 PolarHBondContact N-O 3.27Å; T205-C213 PolarHBondContact O-N 2.98Å; T205-C213 WeakPolarHBondContact OG1-CB 3.5Å; T205-C213 PolarHBondContact OG1-O 3.23Å; T205-W215 PolarHBondContact OG1-NE1 2.9Å |
| 206 | V | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.2 | -173.7 | -171.9 | 0 | 0 | 0 | 0 | 109.4 | V192 G193 F195 A211 L212 F284 L293 L305 | V192-V206 PolarHBondContact N-O 3.42Å; G193-V206 PolarHBondContact N-O 3.12Å; G193-V206 PolarHBondContact O-N 2.68Å; F195-V206 HydrophobicContact CE2-CG2 4.22Å; V206-A211 WeakPolarHBondContact CA-O 3.48Å; V206-L212 HydrophobicContact CG2-CD1 3.58Å; V206-F284 HydrophobicContact CG1-CE2 3.91Å; V206-F284 HydrophobicContact CG1-CZ 4.49Å; V206-L293 HydrophobicContact CB-CD2 4.38Å; V206-L293 HydrophobicContact CG1-CD2 3.15Å; V206-L305 HydrophobicContact CG2-CD2 4.26Å |
| 207 | S | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 162.3 | 179.9 | 51.5 | 0 | 0 | 0 | 0 | 113.4 | H187 I190 D209 G210 A211 | H187-S207 PolarHBondContact ND1-OG 3.15Å; I190-S207 CarbonylContact O-C 3.54Å; I190-S207 VanDerWaalsContact O-CA 3.23Å; I190-S207 WeakPolarHBondContact O-CA 3.27Å; S207-D209 VanDerWaalsContact C-N 3.32Å; S207-D209 WeakPolarHBondContact CB-OD1 3.12Å; S207-D209 PolarHBondContact O-N 3.2Å; S207-D209 PolarHBondContact OG-OD1 2.79Å; S207-G210 PolarHBondContact O-N 2.81Å; S207-A211 PolarHBondContact N-O 3.32Å; S207-A211 WeakPolarHBondContact OG-CB 3.17Å; S207-A211 PolarHBondContact OG-N 3.3Å; S207-A211 PolarHBondContact OG-O 3.33Å; S207-A211 VanDerWaalsContact OG-O 3.12Å |
| 208 | Q | 90.3 | Very high | 89.5 | Confident | 48 Ų | 48 | 26.5 Ų | 26.5 | 22% | 0.224 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -31.2 | -178.1 | 178 | 170.1 | -13.8 | 0 | 0 | 113.2 | D189 I190 V192 G210 N292 L293 | D189-Q208 HydrophobicContact CB-CB 4.45Å; D189-Q208 WeakPolarHBondContact OD2-CB 3.5Å; I190-Q208 HydrophobicContact CB-CB 4.29Å; I190-Q208 PolarHBondContact O-N 2.89Å; V192-Q208 HydrophobicContact CG2-CB 3.88Å; Q208-G210 PolarHBondContact O-N 3.36Å; Q208-G210 VanDerWaalsContact O-N 3.14Å; Q208-N292 HydrophobicContact CG-CB 4.14Å; Q208-N292 WeakPolarHBondContact O-CA 3.22Å; Q208-L293 PolarHBondContact O-N 3.37Å |
| 209 | D | 87.6 | Confident | 88.9 | Confident | 44 Ų | 44 | 23.2 Ų | 23.2 | 24% | 0.235 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -1.7 | 172.5 | 70.1 | -23.3 | 0 | 0 | 0 | 113.6 | D189 S207 A211 | D189-D209 HydrophobicContact CB-CB 3.92Å; D189-D209 PolarHBondContact OD2-N 3.41Å; S207-D209 VanDerWaalsContact C-N 3.32Å; S207-D209 WeakPolarHBondContact CB-OD1 3.12Å; S207-D209 PolarHBondContact O-N 3.2Å; S207-D209 PolarHBondContact OG-OD1 2.79Å; D209-A211 PolarHBondContact OD1-N 3.24Å |
| 210 | G | 86.6 | Confident | 88.4 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 80.6 | 33.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S207 Q208 F283 F284 | S207-G210 PolarHBondContact O-N 2.81Å; Q208-G210 PolarHBondContact O-N 3.36Å; Q208-G210 VanDerWaalsContact O-N 3.14Å; G210-F283 WeakPolarHBondContact O-CA 3.39Å; G210-F284 WeakPolarHBondContact O-CD2 2.97Å; G210-F284 PolarHBondContact O-N 3.46Å |
| 211 | A | 90.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 137.5 | 170 | 0 | 0 | 0 | 0 | 0 | 112.1 | V206 S207 D209 H282 F283 | V206-A211 WeakPolarHBondContact CA-O 3.48Å; S207-A211 PolarHBondContact N-O 3.32Å; S207-A211 WeakPolarHBondContact OG-CB 3.17Å; S207-A211 PolarHBondContact OG-N 3.3Å; S207-A211 PolarHBondContact OG-O 3.33Å; S207-A211 VanDerWaalsContact OG-O 3.12Å; D209-A211 PolarHBondContact OD1-N 3.24Å; A211-H282 CarbonylContact C-O 3.49Å; A211-H282 WeakPolarHBondContact CA-O 3.36Å; A211-F283 HydrophobicContact CB-CD1 3.75Å; A211-F283 HydrophobicContact CB-CE1 3.65Å |
| 212 | L | 92.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 121.3 | 171.2 | 173.6 | 77 | 0 | 0 | 0 | 108.9 | T205 V206 K281 H282 F284 L305 L319 F322 | T205-L212 CarbonylContact O-C 3.58Å; T205-L212 WeakPolarHBondContact O-CA 3.44Å; V206-L212 HydrophobicContact CG2-CD1 3.58Å; L212-K281 CarbonylContact O-C 3.54Å; L212-K281 WeakPolarHBondContact O-CA 3.3Å; L212-H282 HydrophobicContact CB-CB 4.37Å; L212-H282 PolarHBondContact N-O 3.04Å; L212-H282 PolarHBondContact O-N 3.26Å; L212-F284 HydrophobicContact CB-CE2 4.16Å; L212-F284 HydrophobicContact CB-CZ 4.02Å; L212-L305 HydrophobicContact CD1-CD2 4.06Å; L212-L305 HydrophobicContact CD2-CD2 4.45Å; L212-L319 HydrophobicContact CD2-CD1 4.48Å; L212-L319 HydrophobicContact CD2-CD2 3.55Å; L212-F322 HydrophobicContact CB-CE2 4.19Å; L212-F322 HydrophobicContact CD2-CD2 3.37Å; L212-F322 HydrophobicContact CD2-CE2 3.54Å; L212-F322 HydrophobicContact CD2-CG 4.5Å |
| 213 | C | 92.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.6 | 172.1 | -66.5 | 0 | 0 | 0 | 0 | 110.4 | H187 T205 W215 | H187-C213 PolarHBondContact CE1-SG 3.38Å; T205-C213 PolarHBondContact N-O 3.27Å; T205-C213 PolarHBondContact O-N 2.98Å; T205-C213 WeakPolarHBondContact OG1-CB 3.5Å; T205-C213 PolarHBondContact OG1-O 3.23Å; C213-W215 HydrophobicContact CB-CZ2 4.5Å |
| 214 | V | 92.9 | Very high | 84.9 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.03 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122.1 | 177.1 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | Y204 R279 S280 | Y204-V214 HydrophobicContact CD1-CB 4.3Å; Y204-V214 HydrophobicContact CD1-CG1 4.1Å; Y204-V214 HydrophobicContact CD1-CG2 3.89Å; Y204-V214 HydrophobicContact CE1-CB 4.24Å; Y204-V214 HydrophobicContact CE1-CG1 3.65Å; Y204-V214 HydrophobicContact CE1-CG2 3.86Å; V214-R279 HydrophobicContact CB-CB 4.37Å; V214-R279 HydrophobicContact CG1-CB 4.24Å; V214-R279 WeakPolarHBondContact O-CB 3.42Å; V214-R279 PolarHBondContact O-N 2.84Å; V214-S280 PolarHBondContact N-O 2.94Å |
| 215 | W | 91.3 | Very high | 83.9 | Confident | 17 Ų | 17 | 37.9 Ų | 37.9 | 6% | 0.064 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 128.6 | -179.8 | -57 | 92.2 | 0 | 0 | 0 | 110.3 | L184 G185 D202 L203 T205 C213 Y276 K277 H278 | L184-W215 HydrophobicContact CB-CH2 4.36Å; L184-W215 HydrophobicContact CB-CZ2 4.2Å; L184-W215 HydrophobicContact CD1-CD2 4.38Å; L184-W215 HydrophobicContact CD1-CG 4.42Å; L184-W215 HydrophobicContact CD2-CE3 4.31Å; L184-W215 HydrophobicContact CD2-CZ3 4.42Å; G185-W215 WeakPolarHBondContact O-CH2 3.29Å; D202-W215 WeakPolarHBondContact CA-O 3.49Å; L203-W215 HydrophobicContact CB-CB 3.95Å; L203-W215 HydrophobicContact CB-CG 4.43Å; L203-W215 PolarHBondContact N-O 3.49Å; L203-W215 PolarHBondContact O-N 3.16Å; T205-W215 PolarHBondContact OG1-NE1 2.9Å; C213-W215 HydrophobicContact CB-CZ2 4.5Å; W215-Y276 HydrophobicContact CB-CD1 4.2Å; W215-K277 WeakPolarHBondContact CA-O 3.47Å; W215-H278 HydrophobicContact CE3-CB 3.99Å; W215-H278 HydrophobicContact CH2-CB 4.24Å; W215-H278 AromaticContact CH2-CD2 3.87Å; W215-H278 AromaticContact CZ2-CD2 3.97Å; W215-H278 HydrophobicContact CZ3-CB 3.68Å |
| 216 | K | 89.9 | Confident | 82.8 | Confident | 106 Ų | 106 | 42.2 Ų | 42.2 | 46% | 0.461 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 131.3 | 178.1 | -171.7 | 171.3 | -175.7 | 172.4 | 0 | 110.9 | Y276 K277 | K216-Y276 WeakPolarHBondContact O-CA 3.42Å; K216-K277 PolarHBondContact N-O 3.08Å; K216-K277 PolarHBondContact O-N 3.16Å |
| 217 | S | 85.7 | Confident | 81.6 | Confident | 15 Ų | 15 | 47.1 Ų | 47.1 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 140.1 | 175.9 | 64.9 | 0 | 0 | 0 | 0 | 111.3 | D202 T219 | D202-S217 WeakPolarHBondContact OD1-CB 3.19Å; D202-S217 PolarHBondContact OD1-N 2.8Å; D202-S217 PolarHBondContact OD1-OG 3.25Å; S217-T219 VanDerWaalsContact C-N 3.25Å; S217-T219 PolarHBondContact O-N 3Å; S217-T219 PolarHBondContact OG-O 3.16Å |
| 218 | D | 80.6 | Confident | 79.7 | Confident | 55 Ų | 55 | 56.4 Ų | 56.4 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -79 | -7.6 | 175.3 | -82.6 | -11.7 | 0 | 0 | 0 | 112.8 | R275 K277 | D218-R275 PolarHBondContact N-O 3Å; D218-K277 VanDerWaalsContact CG-NZ 3.31Å; D218-K277 IonicContact OD1-NZ 2.66Å; D218-K277 PolarHBondContact OD1-NZ 3.36Å; D218-K277 IonicContact OD2-NZ 2.62Å; D218-K277 PolarHBondContact OD2-NZ 2.98Å |
| 219 | T | 74.6 | Confident | 77.5 | Confident | 23 Ų | 23 | 59.9 Ų | 59.9 | 14% | 0.141 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -129.2 | 135.6 | -171.6 | 46.8 | 0 | 0 | 0 | 0 | 111.6 | S217 V274 | S217-T219 VanDerWaalsContact C-N 3.25Å; S217-T219 PolarHBondContact O-N 3Å; S217-T219 PolarHBondContact OG-O 3.16Å; T219-V274 HydrophobicContact CG2-CG2 4.28Å; T219-V274 WeakPolarHBondContact OG1-CG1 3.39Å; T219-V274 WeakPolarHBondContact OG1-CG2 3.39Å |
| 220 | K | 74.3 | Confident | 75.1 | Confident | 181 Ų | 181 | 63.2 Ų | 63.2 | 79% | 0.787 | 34% | 0.341 | S | S | * | . | trans | -77 | 160.4 | 171.9 | -60.8 | -174.7 | 177.6 | -173.4 | 0 | 111.4 | D222 G223 | K220-D222 VanDerWaalsContact C-N 3.32Å; K220-D222 PolarHBondContact O-N 3.25Å; K220-G223 PolarHBondContact O-N 3.16Å | ||
| 221 | L | 70.2 | Confident | 72.6 | Confident | 16 Ų | 16 | 68.5 Ų | 68.5 | 8% | 0.084 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -53.8 | -41 | -178 | -76.9 | 172 | 0 | 0 | 0 | 114.2 | T153 D199 L201 G223 L224 | T153-L221 HydrophobicContact CG2-CD2 4.38Å; D199-L221 HydrophobicContact CB-CD1 4.48Å; D199-L221 VanDerWaalsContact O-CD1 3.26Å; D199-L221 WeakPolarHBondContact O-CD1 3.36Å; L201-L221 HydrophobicContact CD2-CD2 3.72Å; L201-L221 HydrophobicContact CG-CD2 3.78Å; L201-L221 HydrophobicContact CG-CG 4.43Å; L221-G223 PolarHBondContact O-N 3.31Å; L221-L224 PolarHBondContact O-N 2.92Å |
| 222 | D | 68.1 | Low | 70 | Confident | 154 Ų | 154 | 77.7 Ų | 77.7 | 82% | 0.824 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -69.8 | -12.5 | 178.7 | -66.2 | -24.2 | 0 | 0 | 0 | 113.8 | K220 L224 | K220-D222 VanDerWaalsContact C-N 3.32Å; K220-D222 PolarHBondContact O-N 3.25Å; D222-L224 PolarHBondContact O-N 3.34Å |
| 223 | G | 67.9 | Low | 67.3 | Low | 37 Ų | 37 | 84.1 Ų | 84.1 | 38% | 0.381 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -78.6 | -0.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N178 K220 L221 | N178-G223 PolarHBondContact ND2-O 3.19Å; K220-G223 PolarHBondContact O-N 3.16Å; L221-G223 PolarHBondContact O-N 3.31Å |
| 224 | L | 73.8 | Confident | 64.4 | Low | 17 Ų | 17 | 86.2 Ų | 86.2 | 9% | 0.089 | 48% | 0.481 | C | S | . | . | trans | -75.4 | 122.9 | 179 | -69.5 | 172.2 | 0 | 0 | 0 | 111.4 | K157 W176 L179 L221 D222 V274 | K157-L224 HydrophobicContact CB-CD1 4.41Å; K157-L224 HydrophobicContact CD-CD1 4.25Å; W176-L224 HydrophobicContact CD2-CB 3.99Å; W176-L224 HydrophobicContact CE3-CB 3.68Å; W176-L224 HydrophobicContact CG-CD2 4.38Å; W176-L224 HydrophobicContact CZ3-CB 3.97Å; L179-L224 HydrophobicContact CB-CD2 4.37Å; L221-L224 PolarHBondContact O-N 2.92Å; D222-L224 PolarHBondContact O-N 3.34Å; L224-V274 HydrophobicContact CD2-CG2 4.19Å | ||
| 225 | V | 72 | Confident | 61.8 | Low | 76 Ų | 76 | 92.5 Ų | 92.5 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | trans | -104.6 | 115.3 | -176.8 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | W176 A177 N178 K227 | W176-V225 CarbonylContact C-O 3.57Å; W176-V225 WeakPolarHBondContact CA-O 3.35Å; A177-V225 PolarHBondContact N-O 3.42Å; N178-V225 PolarHBondContact OD1-N 3.11Å; V225-K227 PolarHBondContact O-N 2.81Å | ||
| 226 | L | 72.1 | Confident | 59 | Low | 92 Ų | 92 | 103.3 Ų | 103.3 | 48% | 0.482 | 56% | 0.563 | S | S | . | * | B | Isolated β-bridge | trans | -70 | 128.5 | -176.4 | -150.7 | 152.5 | 0 | 0 | 0 | 110.1 | E174 W176 K228 | E174-L226 WeakPolarHBondContact OE2-CD1 3.24Å; W176-L226 HydrophobicContact CE3-CB 4.07Å; W176-L226 HydrophobicContact CE3-CG 4.35Å; W176-L226 HydrophobicContact CH2-CB 4.45Å; W176-L226 HydrophobicContact CH2-CD1 3.98Å; W176-L226 HydrophobicContact CH2-CG 4.25Å; W176-L226 HydrophobicContact CZ3-CB 3.65Å; W176-L226 HydrophobicContact CZ3-CD1 3.99Å; W176-L226 HydrophobicContact CZ3-CG 3.87Å; L226-K228 PolarHBondContact O-N 3.37Å; L226-K228 VanDerWaalsContact O-N 3.17Å |
| 227 | K | 67.1 | Low | 56.1 | Low | 103 Ų | 103 | 110 Ų | 110 | 45% | 0.448 | 59% | 0.585 | S | S | . | * | trans | -77.1 | 103.5 | 175.1 | -168.9 | 179.9 | -179.8 | -177.5 | 0 | 108.4 | R175 A177 V225 S229 | R175-K227 HydrophobicContact CG-CB 4.35Å; R175-K227 HydrophobicContact CG-CD 4.12Å; R175-K227 WeakPolarHBondContact O-CB 3.41Å; R175-K227 PolarHBondContact O-N 2.8Å; A177-K227 HydrophobicContact CB-CB 4.34Å; V225-K227 PolarHBondContact O-N 2.81Å; K227-S229 PolarHBondContact O-N 2.77Å | ||
| 228 | K | 53.5 | Low | 53.4 | Low | 194 Ų | 194 | 121 Ų | 121 | 84% | 0.843 | 62% | 0.624 | S | S | * | * | trans | -56.4 | 124.6 | 172.6 | -69.1 | -176.8 | 178.7 | -179.9 | 0 | 109.3 | L226 S230 | L226-K228 PolarHBondContact O-N 3.37Å; L226-K228 VanDerWaalsContact O-N 3.17Å; K228-S230 PolarHBondContact O-N 3.43Å | ||
| 229 | S | 45.1 | Very low | 51 | Low | 121 Ų | 121 | 128 Ų | 128 | 85% | 0.846 | 66% | 0.655 | S | S | * | * | trans | -67.4 | 111.1 | 171.9 | 49.7 | 0 | 0 | 0 | 0 | 108.3 | K227 S231 | K227-S229 PolarHBondContact O-N 2.77Å; S229-S231 PolarHBondContact O-N 3.15Å | ||
| 230 | S | 36 | Very low | 48.9 | Very low | 115 Ų | 115 | 130 Ų | 130 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | trans | -73.5 | 118.2 | 169.8 | 56.7 | 0 | 0 | 0 | 0 | 108.5 | K228 | K228-S230 PolarHBondContact O-N 3.43Š| ||
| 231 | S | 33.4 | Very low | 46.6 | Very low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 68% | 0.684 | S | S | * | * | trans | -45.2 | 133 | 164.4 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | S229 | S229-S231 PolarHBondContact O-N 3.15Š| ||
| 232 | K | 37.5 | Very low | 44.7 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 84% | 0.843 | 72% | 0.722 | S | S | * | * | trans | 31.1 | 117.5 | 162.1 | -63.3 | -173.4 | 177.4 | -174 | 0 | 117.4 | G234 | K232-G234 PolarHBondContact O-N 2.84Š| ||
| 233 | P | 35.3 | Very low | 42.8 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 87% | 0.87 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 119.9 | 165.2 | 27.9 | -27.9 | 0 | 0 | 0 | 109.2 | ||
| 234 | G | 32.2 | Very low | 40.9 | Very low | 45 Ų | 45 | 145.1 Ų | 145.1 | 46% | 0.464 | 74% | 0.744 | S | S | . | * | P | Polyproline II helix | trans | -63 | 158.9 | 167 | 0 | 0 | 0 | 0 | 0 | 111.5 | K232 W236 | K232-G234 PolarHBondContact O-N 2.84Å; G234-W236 PolarHBondContact O-N 2.94Å |
| 235 | P | 37.7 | Very low | 38.8 | Very low | 136 Ų | 136 | 152.9 Ų | 152.9 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 117.6 | -167.3 | 29.1 | -33 | 0 | 0 | 0 | 110.6 | ||
| 236 | W | 31.8 | Very low | 36.6 | Very low | 245 Ų | 245 | 157.2 Ų | 157.2 | 93% | 0.928 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 124.5 | 165.6 | -74.6 | 84.5 | 0 | 0 | 0 | 109.2 | G234 | G234-W236 PolarHBondContact O-N 2.94Š|
| 237 | R | 28.4 | Very low | 34.5 | Very low | 246 Ų | 246 | 162 Ų | 162 | 93% | 0.928 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 133.9 | -176.2 | -77.5 | 168.5 | 164.4 | 167.2 | -6.6 | 113.5 | ||
| 238 | R | 30.9 | Very low | 32.7 | Very low | 245 Ų | 245 | 166.7 Ų | 166.7 | 93% | 0.925 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 137.9 | 156.5 | -87.3 | 177.5 | 168.8 | 161.2 | -5 | 109.6 | ||
| 239 | E | 29.2 | Very low | 31.5 | Very low | 203 Ų | 203 | 168.5 Ų | 168.5 | 95% | 0.949 | 85% | 0.845 | S | S | * | * | trans | -114.8 | 128.2 | 146.7 | -87.6 | -176.4 | 166.9 | 0 | 0 | 107.2 | ||||
| 240 | G | 29.5 | Very low | 30.7 | Very low | 65 Ų | 65 | 169.7 Ų | 169.7 | 67% | 0.67 | 85% | 0.847 | S | S | * | * | S | Bend | trans | 98.2 | 90.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 241 | D | 27.7 | Very low | 30.4 | Very low | 160 Ų | 160 | 173.6 Ų | 173.6 | 86% | 0.856 | 85% | 0.852 | S | S | * | * | trans | 24.8 | 135.3 | 137.8 | -50 | -19.9 | 0 | 0 | 0 | 118.8 | ||||
| 242 | E | 30.1 | Very low | 30.2 | Very low | 192 Ų | 192 | 170.8 Ų | 170.8 | 90% | 0.897 | 84% | 0.841 | S | S | * | * | cis | -147 | 154 | 41.4 | -68.9 | 169.9 | 159.4 | 0 | 0 | 112 | ||||
| 243 | E | 27 | Very low | 30.2 | Very low | 185 Ų | 185 | 171.1 Ų | 171.1 | 86% | 0.864 | 85% | 0.846 | S | S | * | * | trans | -74.5 | 145.4 | 173.9 | -62 | 171.5 | 163.2 | 0 | 0 | 109.9 | ||||
| 244 | E | 28.2 | Very low | 30.5 | Very low | 169 Ų | 169 | 173.3 Ų | 173.3 | 79% | 0.79 | 84% | 0.844 | S | S | * | * | -169.8 | 141.2 | 87.8 | -91.2 | 177.9 | 177.4 | 0 | 0 | 112.8 | |||||
| 245 | E | 29.5 | Very low | 31.7 | Very low | 180 Ų | 180 | 172.9 Ų | 172.9 | 84% | 0.841 | 84% | 0.837 | S | S | * | * | trans | 74.5 | 105.4 | 146.5 | -62.5 | -173.3 | 171.8 | 0 | 0 | 122.6 | ||||
| 246 | D | 25.3 | Very low | 33.4 | Very low | 166 Ų | 166 | 171.6 Ų | 171.6 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -71 | 133.3 | 164.4 | -67.2 | -56.2 | 0 | 0 | 0 | 112.2 | ||||
| 247 | E | 29.8 | Very low | 35.4 | Very low | 194 Ų | 194 | 164 Ų | 164 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | trans | -119.4 | 129 | 152.3 | -84.5 | -169.4 | 167.4 | 0 | 0 | 109.9 | ||||
| 248 | E | 28.8 | Very low | 37.6 | Very low | 200 Ų | 200 | 153.3 Ų | 153.3 | 94% | 0.935 | 76% | 0.76 | S | S | * | * | trans | -55.6 | 123.1 | -169.2 | -61.1 | 173.9 | 150.1 | 0 | 0 | 113.9 | ||||
| 249 | R | 27.5 | Very low | 39.5 | Very low | 232 Ų | 232 | 151.2 Ų | 151.2 | 88% | 0.875 | 75% | 0.752 | S | S | * | * | trans | -104.7 | 122.1 | 162.7 | -79.5 | -174.7 | 178.6 | -178.9 | 1.4 | 110.2 | E251 | R249-E251 PolarHBondContact O-N 3.31Š| ||
| 250 | V | 28.1 | Very low | 41 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 89% | 0.885 | 72% | 0.718 | S | S | * | * | trans | -55.1 | 122.5 | 170.9 | 177.1 | 0 | 0 | 0 | 0 | 109.9 | G252 | V250-G252 PolarHBondContact O-N 3.05Š| ||
| 251 | E | 29.8 | Very low | 42.6 | Very low | 197 Ų | 197 | 146.7 Ų | 146.7 | 92% | 0.921 | 72% | 0.717 | S | S | * | * | trans | -65.1 | 95.4 | 172.8 | -71 | -177.1 | 154.7 | 0 | 0 | 110.3 | R249 | R249-E251 PolarHBondContact O-N 3.31Š| ||
| 252 | G | 30.1 | Very low | 43.6 | Very low | 53 Ų | 53 | 143 Ų | 143 | 55% | 0.546 | 70% | 0.701 | S | S | . | * | trans | -92.5 | 136.3 | 152.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | V250 E254 | V250-G252 PolarHBondContact O-N 3.05Å; G252-E254 PolarHBondContact O-N 3.38Å | ||
| 253 | E | 37.3 | Very low | 44.5 | Very low | 201 Ų | 201 | 141.3 Ų | 141.3 | 94% | 0.939 | 69% | 0.693 | S | S | * | * | trans | -54 | 99.3 | 173.8 | -65.5 | 178.7 | 156.9 | 0 | 0 | 109.8 | A255 | E253-A255 PolarHBondContact O-N 2.78Š| ||
| 254 | E | 42.1 | Very low | 45.8 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 84% | 0.836 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -71 | 118 | -178.4 | -69.8 | -170.8 | 160.8 | 0 | 0 | 109.7 | G252 | G252-E254 PolarHBondContact O-N 3.38Š|
| 255 | A | 57.2 | Low | 46.9 | Very low | 37 Ų | 37 | 132.7 Ų | 132.7 | 31% | 0.306 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 137.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L136 E253 V257 | L136-A255 HydrophobicContact CD2-CB 3.68Å; L136-A255 HydrophobicContact CG-CB 4.01Å; E253-A255 PolarHBondContact O-N 2.78Å; A255-V257 PolarHBondContact O-N 3.11Å |
| 256 | E | 72.1 | Confident | 47.8 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 51% | 0.505 | 67% | 0.669 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.6 | 122.3 | -177.5 | -69.9 | -169.1 | 159 | 0 | 0 | 111 | K138 S139 | K138-E256 WeakPolarHBondContact CA-O 3.11Å; K138-E256 HydrophobicContact CG-CB 4.28Å; S139-E256 PolarHBondContact N-O 2.69Å |
| 257 | V | 74.1 | Confident | 49 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 52% | 0.521 | 65% | 0.65 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.6 | 122.4 | 176.9 | 180 | 0 | 0 | 0 | 0 | 110.5 | S139 Y141 A255 R259 | S139-V257 WeakPolarHBondContact OG-CG2 3.35Å; Y141-V257 HydrophobicContact CD2-CG1 3.7Å; Y141-V257 HydrophobicContact CE2-CG1 3.62Å; A255-V257 PolarHBondContact O-N 3.11Å; V257-R259 HydrophobicContact CG1-CG 4.46Å |
| 258 | I | 76.1 | Confident | 50.1 | Low | 22 Ų | 22 | 129.9 Ų | 129.9 | 11% | 0.113 | 65% | 0.646 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.6 | 121.2 | 177.7 | -62.9 | 176.9 | 0 | 0 | 0 | 109.2 | K138 S139 Y140 Y141 Y181 | K138-I258 HydrophobicContact CD-CD1 3.9Å; S139-I258 PolarHBondContact O-N 3.42Å; Y140-I258 HydrophobicContact CD1-CB 3.98Å; Y140-I258 HydrophobicContact CD1-CD1 4.16Å; Y140-I258 HydrophobicContact CD1-CG2 3.98Å; Y140-I258 HydrophobicContact CE1-CB 4.28Å; Y140-I258 HydrophobicContact CE1-CD1 3.56Å; Y140-I258 HydrophobicContact CE1-CG1 4.47Å; Y140-I258 HydrophobicContact CE1-CG2 4.28Å; Y141-I258 PolarHBondContact N-O 2.67Å; Y181-I258 HydrophobicContact CD2-CG2 3.4Å; Y181-I258 HydrophobicContact CE2-CD1 4.38Å; Y181-I258 HydrophobicContact CE2-CG2 3.3Å; Y181-I258 HydrophobicContact CG-CG2 4.44Å |
| 259 | R | 70.1 | Confident | 50.9 | Low | 200 Ų | 200 | 130.7 Ų | 130.7 | 76% | 0.755 | 65% | 0.647 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.5 | 172.9 | -63 | -174.1 | 179.4 | 179.5 | 0.7 | 110.6 | V257 | V257-R259 HydrophobicContact CG1-CG 4.46Å |
| 260 | G | 61.4 | Low | 52.1 | Low | 22 Ų | 22 | 128.9 Ų | 128.9 | 23% | 0.227 | 65% | 0.648 | C | S | . | * | trans | -63.6 | 152.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y141 | Y141-G260 PolarHBondContact O-N 3.49Š| ||
| 261 | K | 63.5 | Low | 53.7 | Low | 151 Ų | 151 | 124.9 Ų | 124.9 | 66% | 0.657 | 62% | 0.624 | S | S | * | * | trans | -117.7 | 135.8 | 175 | -66.8 | -174.5 | 178.8 | -173.1 | 0 | 109 | Y181 Y182 | Y181-K261 PolarHBondContact O-N 3.23Å; Y181-K261 VanDerWaalsContact O-O 3.14Å; Y182-K261 WeakPolarHBondContact CA-O 3.44Å; Y182-K261 WeakPolarHBondContact CB-O 3.23Å | ||
| 262 | T | 48.7 | Very low | 55.5 | Low | 84 Ų | 84 | 121.4 Ų | 121.4 | 52% | 0.515 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -78.7 | -20.1 | -177.9 | 30.2 | 0 | 0 | 0 | 0 | 114.2 | Y144 | Y144-T262 HydrophobicContact CE2-CG2 4.43Å; Y144-T262 WeakPolarHBondContact OH-CG2 3.43Å |
| 263 | E | 47.9 | Very low | 57.6 | Low | 156 Ų | 156 | 119.9 Ų | 119.9 | 73% | 0.729 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -105.5 | 136.5 | -175.7 | -66 | -175.9 | 172.6 | 0 | 0 | 113 | ||
| 264 | P | 53.7 | Low | 59.6 | Low | 107 Ų | 107 | 110.4 Ų | 110.4 | 70% | 0.695 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 127.6 | 172.7 | 27.9 | -32.7 | 0 | 0 | 0 | 110 | ||
| 265 | P | 51.1 | Low | 61.4 | Low | 65 Ų | 65 | 107.1 Ų | 107.1 | 42% | 0.422 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -72 | 150 | 179.4 | 27.1 | -31.6 | 0 | 0 | 0 | 111.9 | I180 D267 | I180-P265 HydrophobicContact CD1-CG 3.25Å; I180-P265 HydrophobicContact CG1-CG 4.16Å; P265-D267 PolarHBondContact O-N 3.43Å |
| 266 | K | 49.3 | Very low | 62.8 | Low | 201 Ų | 201 | 106.5 Ų | 106.5 | 87% | 0.874 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 124.5 | 168.4 | -65.4 | 177.5 | 179.9 | 175.6 | 0 | 109 | K268 | K266-K268 PolarHBondContact O-N 3.22Š|
| 267 | D | 49.8 | Very low | 63.5 | Low | 93 Ų | 93 | 106.9 Ų | 106.9 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -52 | 119.4 | -176.3 | -74.3 | -30.3 | 0 | 0 | 0 | 111.3 | P265 N273 | P265-D267 PolarHBondContact O-N 3.43Å; D267-N273 PolarHBondContact OD1-ND2 2.95Å |
| 268 | K | 53.2 | Low | 64.1 | Low | 188 Ų | 188 | 107 Ų | 107 | 82% | 0.817 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -81.2 | 133.7 | 165.3 | -74 | -175.4 | 177.3 | -177.1 | 0 | 107.9 | K266 E270 | K266-K268 PolarHBondContact O-N 3.22Å; K268-E270 PolarHBondContact O-N 3.33Å |
| 269 | K | 46.6 | Very low | 64.6 | Low | 217 Ų | 217 | 113.2 Ų | 113.2 | 94% | 0.943 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 3.3 | -160.3 | -75.2 | -178.9 | 173.7 | 179.2 | 0 | 118.9 | ||
| 270 | E | 53.1 | Low | 65.5 | Low | 193 Ų | 193 | 105.3 Ų | 105.3 | 90% | 0.902 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.4 | -12.9 | -172.1 | -70.1 | -177.9 | 168.6 | 0 | 0 | 115.8 | K268 | K268-E270 PolarHBondContact O-N 3.33Š|
| 271 | V | 59.8 | Low | 66.9 | Low | 63 Ų | 63 | 107.3 Ų | 107.3 | 38% | 0.382 | 51% | 0.505 | S | S | . | . | trans | -139.4 | 123.6 | 179.1 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | N178 N273 | N178-V271 HydrophobicContact CB-CG1 3.67Å; V271-N273 PolarHBondContact O-N 2.88Å | ||
| 272 | K | 68.3 | Low | 68.2 | Low | 124 Ų | 124 | 102.5 Ų | 102.5 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 120.5 | 176.6 | -169.7 | -178.7 | 179.3 | -171.1 | 0 | 109.7 | ||
| 273 | N | 74 | Confident | 70.1 | Confident | 20 Ų | 20 | 104 Ų | 104 | 11% | 0.107 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 145.8 | 178.2 | -66.5 | -36.8 | 0 | 0 | 0 | 112 | N178 I180 D267 V271 R275 | N178-N273 WeakPolarHBondContact O-CA 3.41Å; I180-N273 HydrophobicContact CD1-CB 3.8Å; I180-N273 WeakPolarHBondContact CD1-OD1 3.34Å; D267-N273 PolarHBondContact OD1-ND2 2.95Å; V271-N273 PolarHBondContact O-N 2.88Å; N273-R275 PolarHBondContact O-N 3.41Å |
| 274 | V | 79.2 | Confident | 71.9 | Confident | 2 Ų | 2 | 97.4 Ų | 97.4 | 1% | 0.012 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 126.3 | 170.8 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | N178 L179 T219 L224 Y276 | N178-V274 PolarHBondContact O-N 2.85Å; L179-V274 HydrophobicContact CD1-CB 4.02Å; L179-V274 HydrophobicContact CD1-CG1 4.11Å; L179-V274 HydrophobicContact CD1-CG2 4.05Å; T219-V274 HydrophobicContact CG2-CG2 4.28Å; T219-V274 WeakPolarHBondContact OG1-CG1 3.39Å; T219-V274 WeakPolarHBondContact OG1-CG2 3.39Å; L224-V274 HydrophobicContact CD2-CG2 4.19Å; V274-Y276 HydrophobicContact CG1-CE2 3.99Å |
| 275 | R | 80.9 | Confident | 73.1 | Confident | 111 Ų | 111 | 94.1 Ų | 94.1 | 42% | 0.419 | 43% | 0.43 | S | S | . | . | trans | -126.8 | 135 | 176.6 | -77.1 | -174.8 | -80.4 | -168.8 | -14.7 | 110.3 | D218 N273 | D218-R275 PolarHBondContact N-O 3Å; N273-R275 PolarHBondContact O-N 3.41Å | ||
| 276 | Y | 85.7 | Confident | 74 | Confident | 24 Ų | 24 | 99.1 Ų | 99.1 | 9% | 0.094 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 132 | 171.8 | -72 | -84.9 | 0 | 0 | 0 | 110.3 | V170 Y182 L184 L201 L203 W215 K216 V274 | V170-Y276 HydrophobicContact CB-CE2 4.4Å; V170-Y276 HydrophobicContact CG1-CE2 4.41Å; V170-Y276 HydrophobicContact CG2-CE2 4.02Å; Y182-Y276 PolarHBondContact OH-N 3.47Å; Y182-Y276 VanDerWaalsContact OH-N 3.11Å; L184-Y276 HydrophobicContact CD1-CG 4.33Å; L184-Y276 HydrophobicContact CD2-CD2 4.13Å; L184-Y276 HydrophobicContact CD2-CG 3.96Å; L201-Y276 WeakPolarHBondContact O-CE1 3.41Å; L201-Y276 PolarHBondContact O-OH 3.13Å; L203-Y276 HydrophobicContact CD1-CD1 4.11Å; L203-Y276 HydrophobicContact CD1-CE1 3.44Å; L203-Y276 VanDerWaalsContact CD1-CE1 3.44Å; L203-Y276 HydrophobicContact CG-CE1 4.05Å; W215-Y276 HydrophobicContact CB-CD1 4.2Å; K216-Y276 WeakPolarHBondContact O-CA 3.42Å; V274-Y276 HydrophobicContact CG1-CE2 3.99Å |
| 277 | K | 87 | Confident | 74.5 | Confident | 115 Ų | 115 | 99.6 Ų | 99.6 | 50% | 0.5 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 136 | 171.2 | -69.2 | 174.8 | -175.5 | 138.7 | 0 | 109.2 | W215 K216 D218 R279 | W215-K277 WeakPolarHBondContact CA-O 3.47Å; K216-K277 PolarHBondContact N-O 3.08Å; K216-K277 PolarHBondContact O-N 3.16Å; D218-K277 VanDerWaalsContact CG-NZ 3.31Å; D218-K277 IonicContact OD1-NZ 2.66Å; D218-K277 PolarHBondContact OD1-NZ 3.36Å; D218-K277 IonicContact OD2-NZ 2.62Å; D218-K277 PolarHBondContact OD2-NZ 2.98Å; K277-R279 PolarHBondContact O-N 2.86Å |
| 278 | H | 87 | Confident | 74.9 | Confident | 88 Ų | 88 | 98.1 Ų | 98.1 | 41% | 0.407 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 118.7 | 171.6 | -175.1 | -91.1 | 0 | 0 | 0 | 109.4 | W215 | W215-H278 HydrophobicContact CE3-CB 3.99Å; W215-H278 HydrophobicContact CH2-CB 4.24Å; W215-H278 AromaticContact CH2-CD2 3.87Å; W215-H278 AromaticContact CZ2-CD2 3.97Å; W215-H278 HydrophobicContact CZ3-CB 3.68Å |
| 279 | R | 87.3 | Confident | 75.4 | Confident | 154 Ų | 154 | 95.2 Ų | 95.2 | 58% | 0.581 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -55.5 | -177.2 | -176.9 | -177.5 | 179.9 | -174.7 | -4.1 | 111.5 | V214 K277 | V214-R279 HydrophobicContact CB-CB 4.37Å; V214-R279 HydrophobicContact CG1-CB 4.24Å; V214-R279 WeakPolarHBondContact O-CB 3.42Å; V214-R279 PolarHBondContact O-N 2.84Å; K277-R279 PolarHBondContact O-N 2.86Å |
| 280 | S | 88.4 | Confident | 76.4 | Confident | 34 Ų | 34 | 93.8 Ų | 93.8 | 24% | 0.238 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 155.8 | -177.3 | 56.1 | 0 | 0 | 0 | 0 | 111.1 | V214 H282 | V214-S280 PolarHBondContact N-O 2.94Å; S280-H282 WeakPolarHBondContact CB-NE2 3.16Å; S280-H282 PolarHBondContact OG-NE2 3.31Å |
| 281 | K | 90.5 | Very high | 77.6 | Confident | 64 Ų | 64 | 86.8 Ų | 86.8 | 28% | 0.278 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 126.1 | 173.5 | -176.7 | 167.8 | -170.7 | 166.7 | 0 | 108.8 | G186 L212 F283 | G186-K281 PolarHBondContact O-NZ 3.02Å; L212-K281 CarbonylContact O-C 3.54Å; L212-K281 WeakPolarHBondContact O-CA 3.3Å; K281-F283 HydrophobicContact CD-CZ 3.99Å; K281-F283 HydrophobicContact CG-CE2 4.29Å; K281-F283 HydrophobicContact CG-CZ 4.11Å |
| 282 | H | 90.7 | Very high | 78.9 | Confident | 49 Ų | 49 | 86.7 Ų | 86.7 | 23% | 0.227 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 154.8 | 179.8 | -57 | -85.9 | 0 | 0 | 0 | 109.6 | A211 L212 S280 F322 | A211-H282 CarbonylContact C-O 3.49Å; A211-H282 WeakPolarHBondContact CA-O 3.36Å; L212-H282 HydrophobicContact CB-CB 4.37Å; L212-H282 PolarHBondContact N-O 3.04Å; L212-H282 PolarHBondContact O-N 3.26Å; S280-H282 WeakPolarHBondContact CB-NE2 3.16Å; S280-H282 PolarHBondContact OG-NE2 3.31Å; H282-F322 HydrophobicContact CB-CD1 3.67Å; H282-F322 HydrophobicContact CB-CD2 3.86Å; H282-F322 HydrophobicContact CB-CE1 3.69Å; H282-F322 HydrophobicContact CB-CE2 3.84Å; H282-F322 HydrophobicContact CB-CG 3.75Å; H282-F322 HydrophobicContact CB-CZ 3.75Å; H282-F322 AromaticContact CG-CD1 3.89Å; H282-F322 AromaticContact CG-CG 3.71Å; H282-F322 AromaticContact ND1-CD1 3.86Å; H282-F322 AromaticContact ND1-CG 3.89Å |
| 283 | F | 89.6 | Confident | 79.9 | Confident | 115 Ų | 115 | 80.9 Ų | 80.9 | 50% | 0.504 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 137.4 | 178.5 | -63.2 | -81.7 | 0 | 0 | 0 | 109.4 | G210 A211 K281 | G210-F283 WeakPolarHBondContact O-CA 3.39Å; A211-F283 HydrophobicContact CB-CD1 3.75Å; A211-F283 HydrophobicContact CB-CE1 3.65Å; K281-F283 HydrophobicContact CD-CZ 3.99Å; K281-F283 HydrophobicContact CG-CE2 4.29Å; K281-F283 HydrophobicContact CG-CZ 4.11Å |
| 284 | F | 85.5 | Confident | 80.6 | Confident | 18 Ų | 18 | 82.3 Ų | 82.3 | 8% | 0.079 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -81.2 | -36.4 | 178.8 | -61.7 | -70.6 | 0 | 0 | 0 | 112.7 | V206 G210 L212 L305 T307 F309 H317 F322 | V206-F284 HydrophobicContact CG1-CE2 3.91Å; V206-F284 HydrophobicContact CG1-CZ 4.49Å; G210-F284 WeakPolarHBondContact O-CD2 2.97Å; G210-F284 PolarHBondContact O-N 3.46Å; L212-F284 HydrophobicContact CB-CE2 4.16Å; L212-F284 HydrophobicContact CB-CZ 4.02Å; F284-L305 HydrophobicContact CE1-CD2 4.34Å; F284-L305 HydrophobicContact CZ-CD2 3.88Å; F284-T307 HydrophobicContact CE1-CG2 3.95Å; F284-T307 HydrophobicContact CE2-CG2 4.1Å; F284-T307 HydrophobicContact CZ-CG2 3.62Å; F284-F309 HydrophobicContact CB-CE1 4.3Å; F284-F309 HydrophobicContact CB-CZ 3.81Å; F284-F309 HydrophobicContact CG-CZ 4.19Å; F284-H317 AromaticContact CD1-CE1 3.26Å; F284-H317 WeakPolarHBondContact CD1-CE1 3.29Å; F284-H317 AromaticContact CD1-ND1 3.81Å; F284-H317 AromaticContact CD1-NE2 3.72Å; F284-H317 AromaticContact CE1-CE1 3.49Å; F284-H317 VanDerWaalsContact CE1-CE1 3.49Å; F284-H317 WeakPolarHBondContact CE1-CE1 3.32Å; F284-H317 AromaticContact CE1-ND1 3.52Å; F284-F322 AromaticContact CD1-CE2 3.84Å; F284-F322 HydrophobicContact CD1-CE2 3.84Å; F284-F322 AromaticContact CD1-CZ 3.47Å; F284-F322 HydrophobicContact CD1-CZ 3.47Å; F284-F322 VanDerWaalsContact CD1-CZ 3.47Å; F284-F322 AromaticContact CE1-CE2 3.31Å; F284-F322 HydrophobicContact CE1-CE2 3.31Å; F284-F322 AromaticContact CE1-CZ 3.48Å; F284-F322 HydrophobicContact CE1-CZ 3.48Å; F284-F322 VanDerWaalsContact CE1-CZ 3.48Å; F284-F322 HydrophobicContact CG-CZ 4.24Å; F284-F322 AromaticContact CZ-CE2 3.82Å; F284-F322 HydrophobicContact CZ-CE2 3.82Å; F284-F322 HydrophobicContact CZ-CZ 4.21Å |
| 285 | N | 78.3 | Confident | 81.2 | Confident | 38 Ų | 38 | 82.8 Ų | 82.8 | 20% | 0.203 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -88.9 | 143.5 | -175.3 | -65.6 | -17.5 | 0 | 0 | 0 | 110.7 | E289 N291 | N285-E289 WeakPolarHBondContact CB-O 3.19Å; N285-E289 PolarHBondContact ND2-O 3.29Å; N285-N291 PolarHBondContact ND2-N 3.18Å; N285-N291 PolarHBondContact ND2-O 3.32Å |
| 286 | K | 69.8 | Low | 81.8 | Confident | 171 Ų | 171 | 78.4 Ų | 78.4 | 74% | 0.743 | 38% | 0.383 | S | S | * | . | trans | -74.1 | 151.4 | 166 | -65.5 | 179.8 | -176.7 | 173.2 | 0 | 109 | G288 E289 | K286-G288 PolarHBondContact O-N 3.21Å; K286-E289 PolarHBondContact O-N 3.44Å | ||
| 287 | E | 59.1 | Low | 82.2 | Confident | 210 Ų | 210 | 77.9 Ų | 77.9 | 98% | 0.981 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 115.5 | 178.3 | -67.3 | -177.3 | 164.7 | 0 | 0 | 110.7 | ||
| 288 | G | 58.5 | Low | 82.6 | Confident | 63 Ų | 63 | 73.3 Ų | 73.3 | 65% | 0.649 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.7 | -15.6 | 177 | 0 | 0 | 0 | 0 | 0 | 116.4 | K286 | K286-G288 PolarHBondContact O-N 3.21Š|
| 289 | E | 64.6 | Low | 82.9 | Confident | 126 Ų | 126 | 69.9 Ų | 69.9 | 59% | 0.589 | 35% | 0.347 | S | S | * | . | trans | -101.8 | 97.9 | 174.7 | -74.8 | 179.2 | 174.1 | 0 | 0 | 110.5 | N285 K286 N291 | N285-E289 WeakPolarHBondContact CB-O 3.19Å; N285-E289 PolarHBondContact ND2-O 3.29Å; K286-E289 PolarHBondContact O-N 3.44Å; E289-N291 PolarHBondContact O-N 2.87Å | ||
| 290 | F | 66.4 | Low | 83.1 | Confident | 187 Ų | 187 | 63.5 Ų | 63.5 | 82% | 0.82 | 32% | 0.324 | S | S | * | . | trans | -87.3 | 80.7 | 178.3 | -62.3 | -78.4 | 0 | 0 | 0 | 110.8 | ||||
| 291 | N | 79.8 | Confident | 83.3 | Confident | 47 Ų | 47 | 65.4 Ų | 65.4 | 25% | 0.251 | 34% | 0.335 | S | S | . | . | trans | -99.3 | 114.5 | 168 | -77.5 | -21.7 | 0 | 0 | 0 | 109.6 | N285 E289 F309 S311 | N285-N291 PolarHBondContact ND2-N 3.18Å; N285-N291 PolarHBondContact ND2-O 3.32Å; E289-N291 PolarHBondContact O-N 2.87Å; N291-F309 HydrophobicContact CB-CB 4.41Å; N291-F309 HydrophobicContact CB-CD1 4.01Å; N291-F309 HydrophobicContact CB-CG 4.48Å; N291-S311 PolarHBondContact ND2-OG 2.77Å | ||
| 292 | N | 86.8 | Confident | 83.3 | Confident | 61 Ų | 61 | 64.2 Ų | 64.2 | 33% | 0.326 | 34% | 0.335 | S | S | . | . | trans | -68.9 | 133 | 176.3 | -69.2 | -7.8 | 0 | 0 | 0 | 110.2 | Q208 A310 | Q208-N292 HydrophobicContact CG-CB 4.14Å; Q208-N292 WeakPolarHBondContact O-CA 3.22Å; N292-A310 HydrophobicContact CB-CB 4.47Å; N292-A310 WeakPolarHBondContact O-CB 3.35Å; N292-A310 PolarHBondContact O-N 3.14Å | ||
| 293 | L | 89.9 | Confident | 83.4 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 131.8 | 171.9 | -174.5 | 79.5 | 0 | 0 | 0 | 109.8 | V192 V206 Q208 A296 T307 G308 F309 | V192-L293 HydrophobicContact CB-CD2 4.18Å; V192-L293 HydrophobicContact CG1-CD2 4.24Å; V192-L293 HydrophobicContact CG2-CD2 4.42Å; V206-L293 HydrophobicContact CB-CD2 4.38Å; V206-L293 HydrophobicContact CG1-CD2 3.15Å; Q208-L293 PolarHBondContact O-N 3.37Å; L293-A296 HydrophobicContact CD2-CB 4.45Å; L293-T307 HydrophobicContact CD1-CG2 4.11Å; L293-G308 WeakPolarHBondContact CD1-O 3.45Å; L293-F309 HydrophobicContact CB-CD1 4.45Å; L293-F309 HydrophobicContact CB-CE1 4.4Å; L293-F309 HydrophobicContact CD1-CD1 4.16Å; L293-F309 HydrophobicContact CD1-CE1 3.94Å; L293-F309 HydrophobicContact CD1-CE2 4.4Å; L293-F309 HydrophobicContact CD1-CZ 4.05Å |
| 294 | T | 88.2 | Confident | 83.6 | Confident | 50 Ų | 50 | 59.8 Ų | 59.8 | 31% | 0.307 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | -34.5 | -176.6 | 48.9 | 0 | 0 | 0 | 0 | 112.9 | V192 G308 A310 I335 | V192-T294 WeakPolarHBondContact CG1-O 3.19Å; T294-G308 PolarHBondContact N-O 3.5Å; T294-G308 PolarHBondContact OG1-O 2.85Å; T294-G308 VanDerWaalsContact OG1-O 3.08Å; T294-A310 HydrophobicContact CG2-CB 3.86Å; T294-I335 VanDerWaalsContact CB-O 3.23Å; T294-I335 WeakPolarHBondContact CB-O 3.37Å; T294-I335 PolarHBondContact OG1-O 2.8Å |
| 295 | A | 90.5 | Very high | 84.1 | Confident | 11 Ų | 11 | 58.9 Ų | 58.9 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 146.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G308 V338 | A295-G308 PolarHBondContact N-O 3.36Å; A295-G308 PolarHBondContact O-N 3.46Å; A295-V338 HydrophobicContact CB-CB 4.43Å; A295-V338 HydrophobicContact CB-CG2 3.91Å |
| 296 | A | 94.3 | Very high | 84.9 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 17% | 0.165 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 145 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | F195 L293 V306 T307 | F195-A296 HydrophobicContact CE2-CB 4.02Å; F195-A296 HydrophobicContact CZ-CB 3.95Å; F195-A296 WeakPolarHBondContact CZ-O 3.49Å; L293-A296 HydrophobicContact CD2-CB 4.45Å; A296-V306 CarbonylContact C-O 3.46Å; A296-V306 VanDerWaalsContact CA-O 3.32Å; A296-V306 WeakPolarHBondContact CA-O 3.48Å; A296-T307 HydrophobicContact CB-CG2 4.39Å |
| 297 | A | 94.3 | Very high | 86 | Confident | 12 Ų | 12 | 49 Ų | 49 | 10% | 0.099 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 136.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | V306 V338 V340 | A297-V306 PolarHBondContact N-O 3.26Å; A297-V306 PolarHBondContact O-N 3.23Å; A297-V338 HydrophobicContact CB-CB 4.27Å; A297-V338 HydrophobicContact CB-CG1 3.89Å; A297-V340 HydrophobicContact CB-CG2 4.05Å |
| 298 | Y | 94.9 | Very high | 87.7 | Confident | 19 Ų | 19 | 39 Ų | 39 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.1 | 179.1 | 178.4 | -113.5 | 0 | 0 | 0 | 110.5 | F195 F196 E197 Y204 K300 H303 I304 L305 L319 | F195-Y298 HydrophobicContact CB-CD1 3.76Å; F195-Y298 HydrophobicContact CB-CG 4.04Å; F195-Y298 HydrophobicContact CG-CD1 4.31Å; F195-Y298 HydrophobicContact CG-CG 4.15Å; F196-Y298 WeakPolarHBondContact O-CE1 3.21Å; E197-Y298 PolarHBondContact OE2-OH 3.31Å; E197-Y298 VanDerWaalsContact OE2-OH 3.08Å; Y204-Y298 HydrophobicContact CD2-CE1 4.31Å; Y204-Y298 HydrophobicContact CE2-CE1 4.29Å; Y204-Y298 HydrophobicContact CE2-CE2 4.48Å; Y204-Y298 AromaticContact CE2-CZ 3.95Å; Y298-K300 HydrophobicContact CD1-CB 4.46Å; Y298-K300 HydrophobicContact CD1-CG 3.83Å; Y298-K300 HydrophobicContact CE1-CB 4.02Å; Y298-K300 HydrophobicContact CE1-CG 3.79Å; Y298-H303 PolarHBondContact OH-ND1 2.58Å; Y298-I304 WeakPolarHBondContact CA-O 3.42Å; Y298-I304 VanDerWaalsContact CD2-O 3.25Å; Y298-I304 WeakPolarHBondContact CD2-O 3.2Å; Y298-L305 HydrophobicContact CD2-CB 4.1Å; Y298-L305 HydrophobicContact CD2-CD1 4.42Å; Y298-L319 HydrophobicContact CD2-CD1 4.05Å; Y298-L319 HydrophobicContact CE2-CB 4.21Å; Y298-L319 HydrophobicContact CE2-CD1 3.81Å; Y298-L319 HydrophobicContact CE2-CG 4.37Å |
| 299 | H | 94.4 | Very high | 89.3 | Confident | 17 Ų | 17 | 36 Ų | 36 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 104.3 | 173.3 | -175 | -108.4 | 0 | 0 | 0 | 109.5 | S302 H303 I304 V340 N341 S342 S343 G344 | H299-S302 WeakPolarHBondContact ND1-CB 3.26Å; H299-S302 PolarHBondContact ND1-N 2.47Å; H299-S302 PolarHBondContact ND1-OG 3.13Å; H299-S302 PolarHBondContact O-N 2.82Å; H299-H303 WeakPolarHBondContact O-CA 3.21Å; H299-H303 PolarHBondContact O-N 3.33Å; H299-I304 PolarHBondContact N-O 3.28Å; H299-I304 PolarHBondContact O-N 3.2Å; H299-V340 HydrophobicContact CB-CB 4.32Å; H299-V340 HydrophobicContact CB-CG1 3.87Å; H299-N341 PolarHBondContact CD2-O 3.01Å; H299-S342 PolarHBondContact NE2-O 3.45Å; H299-S343 PolarHBondContact CE1-O 2.74Å; H299-G344 VanDerWaalsContact CE1-CA 3.42Å; H299-G344 WeakPolarHBondContact CE1-CA 3.34Å; H299-G344 PolarHBondContact NE2-N 2.94Å |
| 300 | K | 91.3 | Very high | 90.4 | Very high | 19 Ų | 19 | 32 Ų | 32 | 8% | 0.083 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -41.6 | -174.1 | -44.4 | -178.4 | -178.8 | 179.9 | 0 | 114.3 | D151 W152 D154 F196 K198 Y298 S302 H303 | D151-K300 WeakPolarHBondContact OD2-CE 3.48Å; D151-K300 IonicContact OD2-NZ 3.88Å; W152-K300 PolarHBondContact O-NZ 3Å; D154-K300 VanDerWaalsContact OD1-CD 3.26Å; D154-K300 WeakPolarHBondContact OD1-CD 3.37Å; D154-K300 IonicContact OD1-NZ 3.85Å; D154-K300 PolarHBondContact OD1-NZ 3.26Å; F196-K300 WeakPolarHBondContact O-CD 2.95Å; F196-K300 WeakPolarHBondContact O-CE 3.3Å; F196-K300 WeakPolarHBondContact O-CG 3.45Å; K198-K300 HydrophobicContact CB-CB 4.11Å; Y298-K300 HydrophobicContact CD1-CB 4.46Å; Y298-K300 HydrophobicContact CD1-CG 3.83Å; Y298-K300 HydrophobicContact CE1-CB 4.02Å; Y298-K300 HydrophobicContact CE1-CG 3.79Å; K300-S302 VanDerWaalsContact C-N 3.34Å; K300-S302 PolarHBondContact O-N 2.83Å; K300-H303 PolarHBondContact O-N 3.35Å |
| 301 | P | 91.8 | Very high | 91.4 | Very high | 74 Ų | 74 | 24.7 Ų | 24.7 | 48% | 0.481 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -32.2 | -178.5 | -23.2 | 33.4 | 0 | 0 | 0 | 115.2 | ||
| 302 | S | 90.4 | Very high | 91.7 | Very high | 40 Ų | 40 | 22.4 Ų | 22.4 | 28% | 0.28 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -2.1 | -179.7 | 69.1 | 0 | 0 | 0 | 0 | 113.2 | H299 K300 I304 | H299-S302 WeakPolarHBondContact ND1-CB 3.26Å; H299-S302 PolarHBondContact ND1-N 2.47Å; H299-S302 PolarHBondContact ND1-OG 3.13Å; H299-S302 PolarHBondContact O-N 2.82Å; K300-S302 VanDerWaalsContact C-N 3.34Å; K300-S302 PolarHBondContact O-N 2.83Å; S302-I304 PolarHBondContact O-N 3.21Å; S302-I304 WeakPolarHBondContact OG-CD1 3.43Å; S302-I304 WeakPolarHBondContact OG-CG1 3.34Å |
| 303 | H | 93.1 | Very high | 92 | Very high | 61 Ų | 61 | 21.8 Ų | 21.8 | 28% | 0.282 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 33.9 | -175.6 | -46.9 | -81.2 | 0 | 0 | 0 | 114.7 | E197 Y298 H299 K300 L319 | E197-H303 IonicContact OE1-CE1 3.83Å; E197-H303 PolarHBondContact OE1-CE1 3.33Å; E197-H303 IonicContact OE1-ND1 3.93Å; E197-H303 PolarHBondContact OE1-ND1 2.93Å; E197-H303 IonicContact OE2-ND1 3.79Å; Y298-H303 PolarHBondContact OH-ND1 2.58Å; H299-H303 WeakPolarHBondContact O-CA 3.21Å; H299-H303 PolarHBondContact O-N 3.33Å; K300-H303 PolarHBondContact O-N 3.35Å; H303-L319 WeakPolarHBondContact CB-O 3.32Å; H303-L319 PolarHBondContact O-N 3.46Å |
| 304 | I | 94.3 | Very high | 92.2 | Very high | 9 Ų | 9 | 21.8 Ų | 21.8 | 5% | 0.046 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 126.6 | -178.3 | -65.6 | 173.3 | 0 | 0 | 0 | 110.1 | Y298 H299 S302 V306 L316 H317 W362 | Y298-I304 WeakPolarHBondContact CA-O 3.42Å; Y298-I304 VanDerWaalsContact CD2-O 3.25Å; Y298-I304 WeakPolarHBondContact CD2-O 3.2Å; H299-I304 PolarHBondContact N-O 3.28Å; H299-I304 PolarHBondContact O-N 3.2Å; S302-I304 PolarHBondContact O-N 3.21Å; S302-I304 WeakPolarHBondContact OG-CD1 3.43Å; S302-I304 WeakPolarHBondContact OG-CG1 3.34Å; I304-V306 HydrophobicContact CG2-CG2 4.43Å; I304-L316 HydrophobicContact CG2-CD1 3.26Å; I304-L316 HydrophobicContact CG2-CD2 4.47Å; I304-L316 HydrophobicContact CG2-CG 3.86Å; I304-H317 WeakPolarHBondContact CA-O 3.36Å; I304-W362 HydrophobicContact CD1-CD2 4.46Å; I304-W362 HydrophobicContact CD1-CH2 3.65Å; I304-W362 HydrophobicContact CD1-CZ2 3.19Å; I304-W362 HydrophobicContact CD1-CZ3 4.44Å |
| 305 | L | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122.5 | 171.1 | 179.7 | 69.3 | 0 | 0 | 0 | 110 | F195 V206 L212 F284 Y298 T307 H317 L319 | F195-L305 HydrophobicContact CD2-CD1 4.14Å; F195-L305 HydrophobicContact CE2-CD1 3.81Å; V206-L305 HydrophobicContact CG2-CD2 4.26Å; L212-L305 HydrophobicContact CD1-CD2 4.06Å; L212-L305 HydrophobicContact CD2-CD2 4.45Å; F284-L305 HydrophobicContact CE1-CD2 4.34Å; F284-L305 HydrophobicContact CZ-CD2 3.88Å; Y298-L305 HydrophobicContact CD2-CB 4.1Å; Y298-L305 HydrophobicContact CD2-CD1 4.42Å; L305-T307 HydrophobicContact CD1-CG2 4.48Å; L305-T307 HydrophobicContact CD2-CG2 3.95Å; L305-T307 HydrophobicContact CG-CG2 3.96Å; L305-H317 HydrophobicContact CB-CB 4.46Å; L305-H317 PolarHBondContact N-O 2.56Å; L305-H317 PolarHBondContact O-N 3.32Å; L305-L319 HydrophobicContact CB-CD1 3.84Å; L305-L319 HydrophobicContact CB-CG 4.04Å; L305-L319 HydrophobicContact CD2-CD1 4.11Å; L305-L319 HydrophobicContact CG-CD1 4.46Å |
| 306 | V | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129.9 | 170.9 | -167 | 0 | 0 | 0 | 0 | 108.8 | A296 A297 I304 F314 L316 V338 V340 I347 F349 | A296-V306 CarbonylContact C-O 3.46Å; A296-V306 VanDerWaalsContact CA-O 3.32Å; A296-V306 WeakPolarHBondContact CA-O 3.48Å; A297-V306 PolarHBondContact N-O 3.26Å; A297-V306 PolarHBondContact O-N 3.23Å; I304-V306 HydrophobicContact CG2-CG2 4.43Å; V306-F314 HydrophobicContact CG1-CD2 4.42Å; V306-L316 HydrophobicContact CB-CD1 4.39Å; V306-L316 HydrophobicContact CG2-CD1 3.62Å; V306-V338 HydrophobicContact CB-CG1 3.89Å; V306-V338 HydrophobicContact CG1-CG1 3.63Å; V306-V340 HydrophobicContact CG2-CG2 3.77Å; V306-I347 HydrophobicContact CG1-CG2 4Å; V306-I347 HydrophobicContact CG2-CD1 3.72Å; V306-I347 HydrophobicContact CG2-CG1 4.19Å; V306-I347 HydrophobicContact CG2-CG2 4.12Å; V306-F349 HydrophobicContact CG1-CE1 3.87Å; V306-F349 HydrophobicContact CG1-CZ 3.89Å |
| 307 | T | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 126.2 | 178.3 | 51 | 0 | 0 | 0 | 0 | 110.2 | F284 L293 A296 L305 F314 H315 | F284-T307 HydrophobicContact CE1-CG2 3.95Å; F284-T307 HydrophobicContact CE2-CG2 4.1Å; F284-T307 HydrophobicContact CZ-CG2 3.62Å; L293-T307 HydrophobicContact CD1-CG2 4.11Å; A296-T307 HydrophobicContact CB-CG2 4.39Å; L305-T307 HydrophobicContact CD1-CG2 4.48Å; L305-T307 HydrophobicContact CD2-CG2 3.95Å; L305-T307 HydrophobicContact CG-CG2 3.96Å; T307-F314 CarbonylContact O-C 3.59Å; T307-F314 WeakPolarHBondContact O-CA 3.22Å; T307-F314 WeakPolarHBondContact O-CB 3.35Å; T307-H315 PolarHBondContact N-O 2.9Å; T307-H315 PolarHBondContact O-N 2.88Å; T307-H315 WeakPolarHBondContact OG1-CB 3.35Å; T307-H315 PolarHBondContact OG1-O 3.3Å |
| 308 | G | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L293 T294 A295 | L293-G308 WeakPolarHBondContact CD1-O 3.45Å; T294-G308 PolarHBondContact N-O 3.5Å; T294-G308 PolarHBondContact OG1-O 2.85Å; T294-G308 VanDerWaalsContact OG1-O 3.08Å; A295-G308 PolarHBondContact N-O 3.36Å; A295-G308 PolarHBondContact O-N 3.46Å |
| 309 | F | 91.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 161.9 | -176.1 | -62.8 | -89 | 0 | 0 | 0 | 112.6 | F284 N291 L293 S311 G312 I313 H315 I335 | F284-F309 HydrophobicContact CB-CE1 4.3Å; F284-F309 HydrophobicContact CB-CZ 3.81Å; F284-F309 HydrophobicContact CG-CZ 4.19Å; N291-F309 HydrophobicContact CB-CB 4.41Å; N291-F309 HydrophobicContact CB-CD1 4.01Å; N291-F309 HydrophobicContact CB-CG 4.48Å; L293-F309 HydrophobicContact CB-CD1 4.45Å; L293-F309 HydrophobicContact CB-CE1 4.4Å; L293-F309 HydrophobicContact CD1-CD1 4.16Å; L293-F309 HydrophobicContact CD1-CE1 3.94Å; L293-F309 HydrophobicContact CD1-CE2 4.4Å; L293-F309 HydrophobicContact CD1-CZ 4.05Å; F309-S311 PolarHBondContact O-N 3.31Å; F309-G312 PolarHBondContact O-N 2.92Å; F309-I313 WeakPolarHBondContact CB-O 3.43Å; F309-I313 WeakPolarHBondContact CD2-O 3.5Å; F309-I313 PolarHBondContact N-O 3.45Å; F309-H315 HydrophobicContact CE2-CB 4.21Å; F309-H315 AromaticContact CE2-CE1 3.54Å; F309-H315 AromaticContact CE2-CG 3.57Å; F309-H315 AromaticContact CE2-ND1 3.23Å; F309-H315 WeakPolarHBondContact CE2-ND1 3.44Å; F309-H315 AromaticContact CZ-CE1 3.79Å; F309-H315 AromaticContact CZ-ND1 3.47Å; F309-H315 WeakPolarHBondContact CZ-ND1 3.31Å; F309-I335 PolarHBondContact O-N 3.49Å |
| 310 | A | 88.8 | Confident | 91.8 | Very high | 41 Ų | 41 | 24.2 Ų | 24.2 | 34% | 0.339 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -26.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N292 T294 G312 R334 | N292-A310 HydrophobicContact CB-CB 4.47Å; N292-A310 WeakPolarHBondContact O-CB 3.35Å; N292-A310 PolarHBondContact O-N 3.14Å; T294-A310 HydrophobicContact CG2-CB 3.86Å; A310-G312 PolarHBondContact O-N 3.48Å; A310-R334 HydrophobicContact CB-CB 4.43Å; A310-R334 WeakPolarHBondContact O-CA 3.3Å; A310-R334 PolarHBondContact O-N 3.03Å |
| 311 | S | 86.6 | Confident | 91.5 | Very high | 34 Ų | 34 | 30.1 Ų | 30.1 | 24% | 0.238 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -10.3 | 173.9 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | N291 F309 I313 | N291-S311 PolarHBondContact ND2-OG 2.77Å; F309-S311 PolarHBondContact O-N 3.31Å; S311-I313 VanDerWaalsContact C-N 3.3Å |
| 312 | G | 87.4 | Confident | 91.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 80.9 | 9.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | F309 A310 I330 S331 Q333 | F309-G312 PolarHBondContact O-N 2.92Å; A310-G312 PolarHBondContact O-N 3.48Å; G312-I330 PolarHBondContact O-N 3.07Å; G312-S331 CarbonylContact C-O 3.57Å; G312-S331 WeakPolarHBondContact CA-O 3.19Å; G312-Q333 WeakPolarHBondContact CA-O 3.43Å; G312-Q333 PolarHBondContact N-O 2.91Å |
| 313 | I | 91.6 | Very high | 91.6 | Very high | 48 Ų | 48 | 29.7 Ų | 29.7 | 25% | 0.246 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 145.7 | 162.1 | -57.4 | 171 | 0 | 0 | 0 | 108.3 | F309 S311 L328 I335 | F309-I313 WeakPolarHBondContact CB-O 3.43Å; F309-I313 WeakPolarHBondContact CD2-O 3.5Å; F309-I313 PolarHBondContact N-O 3.45Å; S311-I313 VanDerWaalsContact C-N 3.3Å; I313-L328 WeakPolarHBondContact CA-O 3.24Å; I313-I335 WeakPolarHBondContact O-CD1 3.41Å |
| 314 | F | 93.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 150 | 165.4 | 77.1 | -85.6 | 0 | 0 | 0 | 110.5 | V306 T307 S327 L328 I330 I335 F349 W360 | V306-F314 HydrophobicContact CG1-CD2 4.42Å; T307-F314 CarbonylContact O-C 3.59Å; T307-F314 WeakPolarHBondContact O-CA 3.22Å; T307-F314 WeakPolarHBondContact O-CB 3.35Å; F314-S327 WeakPolarHBondContact O-CA 3.43Å; F314-L328 HydrophobicContact CD1-CB 4.25Å; F314-L328 VanDerWaalsContact CD1-O 3.3Å; F314-L328 WeakPolarHBondContact CD1-O 3.17Å; F314-L328 HydrophobicContact CE1-CB 3.56Å; F314-L328 HydrophobicContact CE1-CD1 4.37Å; F314-L328 HydrophobicContact CZ-CB 3.89Å; F314-L328 HydrophobicContact CZ-CD1 3.99Å; F314-L328 HydrophobicContact CZ-CG 4.43Å; F314-L328 PolarHBondContact N-O 2.49Å; F314-L328 PolarHBondContact O-N 3.37Å; F314-L328 VanDerWaalsContact O-N 3.16Å; F314-I330 HydrophobicContact CD1-CD1 3.31Å; F314-I330 HydrophobicContact CD1-CG1 3.67Å; F314-I330 HydrophobicContact CE1-CD1 3.63Å; F314-I330 HydrophobicContact CE1-CG1 3.72Å; F314-I330 HydrophobicContact CG-CD1 4.2Å; F314-I335 HydrophobicContact CB-CD1 3.95Å; F314-F349 HydrophobicContact CB-CE1 3.66Å; F314-F349 HydrophobicContact CB-CZ 4.14Å; F314-F349 HydrophobicContact CD1-CE1 4.13Å; F314-F349 AromaticContact CD1-CZ 3.95Å; F314-F349 HydrophobicContact CD1-CZ 3.95Å; F314-F349 AromaticContact CD2-CE1 3.92Å; F314-F349 HydrophobicContact CD2-CE1 3.92Å; F314-F349 AromaticContact CD2-CZ 3.49Å; F314-F349 HydrophobicContact CD2-CZ 3.49Å; F314-F349 VanDerWaalsContact CD2-CZ 3.49Å; F314-F349 HydrophobicContact CE1-CE2 4.47Å; F314-F349 HydrophobicContact CE1-CZ 4.16Å; F314-F349 HydrophobicContact CE2-CE2 4.45Å; F314-F349 AromaticContact CE2-CZ 3.76Å; F314-F349 HydrophobicContact CE2-CZ 3.76Å; F314-F349 AromaticContact CG-CE1 3.63Å; F314-F349 HydrophobicContact CG-CE1 3.63Å; F314-F349 AromaticContact CG-CZ 3.58Å; F314-F349 HydrophobicContact CG-CZ 3.58Å; F314-F349 HydrophobicContact CZ-CE2 4.4Å; F314-F349 HydrophobicContact CZ-CZ 4.07Å; F314-W360 AromaticContact CE2-CE3 3.84Å; F314-W360 HydrophobicContact CE2-CE3 3.84Å; F314-W360 HydrophobicContact CE2-CH2 4.18Å; F314-W360 AromaticContact CE2-CZ3 3.53Å; F314-W360 HydrophobicContact CE2-CZ3 3.53Å; F314-W360 HydrophobicContact CZ-CD2 4.04Å; F314-W360 AromaticContact CZ-CE3 3.62Å; F314-W360 HydrophobicContact CZ-CE3 3.62Å; F314-W360 HydrophobicContact CZ-CH2 4.01Å; F314-W360 HydrophobicContact CZ-CZ2 4.4Å; F314-W360 AromaticContact CZ-CZ3 3.58Å; F314-W360 HydrophobicContact CZ-CZ3 3.58Å |
| 315 | H | 93.6 | Very high | 91.5 | Very high | 24 Ų | 24 | 33.7 Ų | 33.7 | 11% | 0.111 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 144.1 | 172.5 | -56.3 | 158.6 | 0 | 0 | 0 | 110.9 | T307 F309 H317 L324 H326 S327 | T307-H315 PolarHBondContact N-O 2.9Å; T307-H315 PolarHBondContact O-N 2.88Å; T307-H315 WeakPolarHBondContact OG1-CB 3.35Å; T307-H315 PolarHBondContact OG1-O 3.3Å; F309-H315 HydrophobicContact CE2-CB 4.21Å; F309-H315 AromaticContact CE2-CE1 3.54Å; F309-H315 AromaticContact CE2-CG 3.57Å; F309-H315 AromaticContact CE2-ND1 3.23Å; F309-H315 WeakPolarHBondContact CE2-ND1 3.44Å; F309-H315 AromaticContact CZ-CE1 3.79Å; F309-H315 AromaticContact CZ-ND1 3.47Å; F309-H315 WeakPolarHBondContact CZ-ND1 3.31Å; H315-H317 WeakPolarHBondContact CB-CE1 3.43Å; H315-L324 HydrophobicContact CB-CD1 3.89Å; H315-H326 WeakPolarHBondContact CA-O 3.32Å; H315-S327 VanDerWaalsContact CD2-CB 3.47Å; H315-S327 WeakPolarHBondContact CD2-CB 3.12Å; H315-S327 PolarHBondContact CD2-OG 2.98Å; H315-S327 PolarHBondContact NE2-OG 3.36Å; H315-S327 VanDerWaalsContact NE2-OG 3.07Å |
| 316 | L | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 119.4 | 173.8 | -167.1 | 70.9 | 0 | 0 | 0 | 108.8 | I304 V306 I325 H326 I347 W360 W362 | I304-L316 HydrophobicContact CG2-CD1 3.26Å; I304-L316 HydrophobicContact CG2-CD2 4.47Å; I304-L316 HydrophobicContact CG2-CG 3.86Å; V306-L316 HydrophobicContact CB-CD1 4.39Å; V306-L316 HydrophobicContact CG2-CD1 3.62Å; L316-I325 HydrophobicContact CB-CB 4.26Å; L316-I325 HydrophobicContact CD2-CB 4.03Å; L316-I325 HydrophobicContact CD2-CD1 3.99Å; L316-I325 HydrophobicContact CD2-CG2 4.1Å; L316-I325 HydrophobicContact CG-CB 4.23Å; L316-I325 HydrophobicContact CG-CD1 4.1Å; L316-I325 PolarHBondContact O-N 3.1Å; L316-H326 HydrophobicContact CB-CB 4.33Å; L316-H326 PolarHBondContact N-O 2.88Å; L316-H326 PolarHBondContact O-N 3.15Å; L316-I347 HydrophobicContact CD1-CD1 3.71Å; L316-W360 HydrophobicContact CD2-CZ3 4.38Å; L316-W362 HydrophobicContact CD2-CB 3.87Å; L316-W362 HydrophobicContact CD2-CD2 3.94Å; L316-W362 HydrophobicContact CD2-CE3 3.88Å; L316-W362 HydrophobicContact CD2-CG 3.95Å |
| 317 | H | 93.8 | Very high | 91.1 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.028 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 141.5 | -179.2 | -67.2 | 82.8 | 0 | 0 | 0 | 111.8 | F284 I304 L305 H315 F322 N323 L324 | F284-H317 AromaticContact CD1-CE1 3.26Å; F284-H317 WeakPolarHBondContact CD1-CE1 3.29Å; F284-H317 AromaticContact CD1-ND1 3.81Å; F284-H317 AromaticContact CD1-NE2 3.72Å; F284-H317 AromaticContact CE1-CE1 3.49Å; F284-H317 VanDerWaalsContact CE1-CE1 3.49Å; F284-H317 WeakPolarHBondContact CE1-CE1 3.32Å; F284-H317 AromaticContact CE1-ND1 3.52Å; I304-H317 WeakPolarHBondContact CA-O 3.36Å; L305-H317 HydrophobicContact CB-CB 4.46Å; L305-H317 PolarHBondContact N-O 2.56Å; L305-H317 PolarHBondContact O-N 3.32Å; H315-H317 WeakPolarHBondContact CB-CE1 3.43Å; H317-F322 AromaticContact CD2-CE2 3.86Å; H317-F322 AromaticContact CD2-CZ 3.86Å; H317-F322 AromaticContact NE2-CZ 3.79Å; H317-N323 CarbonylContact C-O 3.59Å; H317-N323 VanDerWaalsContact CA-O 3.24Å; H317-N323 WeakPolarHBondContact CA-O 3.25Å; H317-L324 WeakPolarHBondContact NE2-CD1 3.34Å |
| 318 | E | 94 | Very high | 91 | Very high | 92 Ų | 92 | 41.8 Ų | 41.8 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 122.7 | 166.6 | -168.5 | 178.5 | -168.1 | 0 | 0 | 109.4 | F322 N323 I325 | E318-F322 VanDerWaalsContact O-CA 3.23Å; E318-F322 WeakPolarHBondContact O-CA 3.22Å; E318-F322 PolarHBondContact O-N 3.37Å; E318-N323 HydrophobicContact CB-CB 4.3Å; E318-N323 PolarHBondContact N-O 3.27Å; E318-N323 PolarHBondContact O-N 3.27Å; E318-N323 VanDerWaalsContact O-N 3.14Å; E318-I325 HydrophobicContact CB-CD1 4.22Å; E318-I325 HydrophobicContact CB-CG1 4.39Å |
| 319 | L | 89.6 | Confident | 90.9 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 153 | 172.8 | -63.3 | -175 | 0 | 0 | 0 | 109.4 | Y204 L212 Y298 H303 L305 F322 | Y204-L319 HydrophobicContact CD1-CD1 3.92Å; Y204-L319 HydrophobicContact CD2-CD1 3.96Å; Y204-L319 HydrophobicContact CE1-CB 4.5Å; Y204-L319 HydrophobicContact CE1-CD1 4.07Å; Y204-L319 HydrophobicContact CE2-CD1 4.1Å; Y204-L319 HydrophobicContact CG-CD1 3.86Å; L212-L319 HydrophobicContact CD2-CD1 4.48Å; L212-L319 HydrophobicContact CD2-CD2 3.55Å; Y298-L319 HydrophobicContact CD2-CD1 4.05Å; Y298-L319 HydrophobicContact CE2-CB 4.21Å; Y298-L319 HydrophobicContact CE2-CD1 3.81Å; Y298-L319 HydrophobicContact CE2-CG 4.37Å; H303-L319 WeakPolarHBondContact CB-O 3.32Å; H303-L319 PolarHBondContact O-N 3.46Å; L305-L319 HydrophobicContact CB-CD1 3.84Å; L305-L319 HydrophobicContact CB-CG 4.04Å; L305-L319 HydrophobicContact CD2-CD1 4.11Å; L305-L319 HydrophobicContact CG-CD1 4.46Å; L319-F322 HydrophobicContact CD2-CD2 4.02Å |
| 320 | P | 83.6 | Confident | 90.7 | Very high | 55 Ų | 55 | 46 Ų | 46 | 36% | 0.357 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -86.7 | -4.5 | 5.7 | 32.7 | -35.3 | 0 | 0 | 0 | 115.4 | F322 | P320-F322 VanDerWaalsContact C-N 3.29Å; P320-F322 PolarHBondContact O-N 3.13Å |
| 321 | E | 85.1 | Confident | 90.4 | Very high | 143 Ų | 143 | 44.6 Ų | 44.6 | 67% | 0.668 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -16.4 | -173.9 | -63.9 | -171.6 | 170.7 | 0 | 0 | 113.9 | N323 | E321-N323 PolarHBondContact OE2-ND2 3.09Š|
| 322 | F | 90.8 | Very high | 90.3 | Very high | 34 Ų | 34 | 50 Ų | 50 | 15% | 0.149 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 43.4 | -177.9 | -163 | -103.4 | 0 | 0 | 0 | 112.8 | L212 H282 F284 H317 E318 L319 P320 | L212-F322 HydrophobicContact CB-CE2 4.19Å; L212-F322 HydrophobicContact CD2-CD2 3.37Å; L212-F322 HydrophobicContact CD2-CE2 3.54Å; L212-F322 HydrophobicContact CD2-CG 4.5Å; H282-F322 HydrophobicContact CB-CD1 3.67Å; H282-F322 HydrophobicContact CB-CD2 3.86Å; H282-F322 HydrophobicContact CB-CE1 3.69Å; H282-F322 HydrophobicContact CB-CE2 3.84Å; H282-F322 HydrophobicContact CB-CG 3.75Å; H282-F322 HydrophobicContact CB-CZ 3.75Å; H282-F322 AromaticContact CG-CD1 3.89Å; H282-F322 AromaticContact CG-CG 3.71Å; H282-F322 AromaticContact ND1-CD1 3.86Å; H282-F322 AromaticContact ND1-CG 3.89Å; F284-F322 AromaticContact CD1-CE2 3.84Å; F284-F322 HydrophobicContact CD1-CE2 3.84Å; F284-F322 AromaticContact CD1-CZ 3.47Å; F284-F322 HydrophobicContact CD1-CZ 3.47Å; F284-F322 VanDerWaalsContact CD1-CZ 3.47Å; F284-F322 AromaticContact CE1-CE2 3.31Å; F284-F322 HydrophobicContact CE1-CE2 3.31Å; F284-F322 AromaticContact CE1-CZ 3.48Å; F284-F322 HydrophobicContact CE1-CZ 3.48Å; F284-F322 VanDerWaalsContact CE1-CZ 3.48Å; F284-F322 HydrophobicContact CG-CZ 4.24Å; F284-F322 AromaticContact CZ-CE2 3.82Å; F284-F322 HydrophobicContact CZ-CE2 3.82Å; F284-F322 HydrophobicContact CZ-CZ 4.21Å; H317-F322 AromaticContact CD2-CE2 3.86Å; H317-F322 AromaticContact CD2-CZ 3.86Å; H317-F322 AromaticContact NE2-CZ 3.79Å; E318-F322 VanDerWaalsContact O-CA 3.23Å; E318-F322 WeakPolarHBondContact O-CA 3.22Å; E318-F322 PolarHBondContact O-N 3.37Å; L319-F322 HydrophobicContact CD2-CD2 4.02Å; P320-F322 VanDerWaalsContact C-N 3.29Å; P320-F322 PolarHBondContact O-N 3.13Å |
| 323 | N | 92.2 | Very high | 90.3 | Very high | 71 Ų | 71 | 52.7 Ų | 52.7 | 38% | 0.38 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 127.2 | 174.9 | -62.5 | -34.3 | 0 | 0 | 0 | 109.5 | H317 E318 E321 I325 | H317-N323 CarbonylContact C-O 3.59Å; H317-N323 VanDerWaalsContact CA-O 3.24Å; H317-N323 WeakPolarHBondContact CA-O 3.25Å; E318-N323 HydrophobicContact CB-CB 4.3Å; E318-N323 PolarHBondContact N-O 3.27Å; E318-N323 PolarHBondContact O-N 3.27Å; E318-N323 VanDerWaalsContact O-N 3.14Å; E321-N323 PolarHBondContact OE2-ND2 3.09Å; N323-I325 PolarHBondContact O-N 3.21Å |
| 324 | L | 93.1 | Very high | 90.1 | Very high | 98 Ų | 98 | 55.8 Ų | 55.8 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 117.5 | 173 | 179 | 71 | 0 | 0 | 0 | 109.2 | H315 H317 H326 | H315-L324 HydrophobicContact CB-CD1 3.89Å; H317-L324 WeakPolarHBondContact NE2-CD1 3.34Å; L324-H326 WeakPolarHBondContact CD1-O 3.33Å |
| 325 | I | 92.9 | Very high | 90 | Very high | 56 Ų | 56 | 55.8 Ų | 55.8 | 29% | 0.287 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -57.5 | 175.1 | -50.5 | 178.3 | 0 | 0 | 0 | 109.2 | L316 E318 N323 | L316-I325 HydrophobicContact CB-CB 4.26Å; L316-I325 HydrophobicContact CD2-CB 4.03Å; L316-I325 HydrophobicContact CD2-CD1 3.99Å; L316-I325 HydrophobicContact CD2-CG2 4.1Å; L316-I325 HydrophobicContact CG-CB 4.23Å; L316-I325 HydrophobicContact CG-CD1 4.1Å; L316-I325 PolarHBondContact O-N 3.1Å; E318-I325 HydrophobicContact CB-CD1 4.22Å; E318-I325 HydrophobicContact CB-CG1 4.39Å; N323-I325 PolarHBondContact O-N 3.21Å |
| 326 | H | 90.9 | Very high | 89.8 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 19% | 0.185 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 148.4 | -178.2 | -66.2 | -61.9 | 0 | 0 | 0 | 112.5 | H315 L316 L324 W360 E365 | H315-H326 WeakPolarHBondContact CA-O 3.32Å; L316-H326 HydrophobicContact CB-CB 4.33Å; L316-H326 PolarHBondContact N-O 2.88Å; L316-H326 PolarHBondContact O-N 3.15Å; L324-H326 WeakPolarHBondContact CD1-O 3.33Å; H326-W360 HydrophobicContact CB-CH2 4.21Å; H326-W360 AromaticContact CD2-CH2 3.72Å; H326-E365 IonicContact CE1-OE1 2.7Å; H326-E365 PolarHBondContact CE1-OE1 3.31Å; H326-E365 IonicContact ND1-OE1 3.84Å; H326-E365 IonicContact NE2-OE1 3.03Å |
| 327 | S | 92.1 | Very high | 89.7 | Confident | 62 Ų | 62 | 56.7 Ų | 56.7 | 43% | 0.434 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 114.2 | 167 | 176.1 | 0 | 0 | 0 | 0 | 107.9 | F314 H315 | F314-S327 WeakPolarHBondContact O-CA 3.43Å; H315-S327 VanDerWaalsContact CD2-CB 3.47Å; H315-S327 WeakPolarHBondContact CD2-CB 3.12Å; H315-S327 PolarHBondContact CD2-OG 2.98Å; H315-S327 PolarHBondContact NE2-OG 3.36Å; H315-S327 VanDerWaalsContact NE2-OG 3.07Å |
| 328 | L | 91.6 | Very high | 89.7 | Confident | 67 Ų | 67 | 57.3 Ų | 57.3 | 35% | 0.351 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 146.4 | -174.8 | -67.9 | 171.7 | 0 | 0 | 0 | 110.2 | I313 F314 W360 | I313-L328 WeakPolarHBondContact CA-O 3.24Å; F314-L328 HydrophobicContact CD1-CB 4.25Å; F314-L328 VanDerWaalsContact CD1-O 3.3Å; F314-L328 WeakPolarHBondContact CD1-O 3.17Å; F314-L328 HydrophobicContact CE1-CB 3.56Å; F314-L328 HydrophobicContact CE1-CD1 4.37Å; F314-L328 HydrophobicContact CZ-CB 3.89Å; F314-L328 HydrophobicContact CZ-CD1 3.99Å; F314-L328 HydrophobicContact CZ-CG 4.43Å; F314-L328 PolarHBondContact N-O 2.49Å; F314-L328 PolarHBondContact O-N 3.37Å; F314-L328 VanDerWaalsContact O-N 3.16Å; L328-W360 HydrophobicContact CD1-CH2 4.1Å; L328-W360 HydrophobicContact CD1-CZ2 3.6Å |
| 329 | S | 90.8 | Very high | 89.8 | Confident | 68 Ų | 68 | 53.4 Ų | 53.4 | 48% | 0.476 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 124.3 | 171.7 | -173.7 | 0 | 0 | 0 | 0 | 110.4 | ||
| 330 | I | 87.8 | Confident | 90 | Very high | 21 Ų | 21 | 54.7 Ų | 54.7 | 11% | 0.108 | 30% | 0.296 | C | S | . | . | trans | -88.4 | -45.8 | 177.9 | -77.9 | 164.6 | 0 | 0 | 0 | 110.8 | G312 F314 I335 F349 L358 | G312-I330 PolarHBondContact O-N 3.07Å; F314-I330 HydrophobicContact CD1-CD1 3.31Å; F314-I330 HydrophobicContact CD1-CG1 3.67Å; F314-I330 HydrophobicContact CE1-CD1 3.63Å; F314-I330 HydrophobicContact CE1-CG1 3.72Å; F314-I330 HydrophobicContact CG-CD1 4.2Å; I330-I335 HydrophobicContact CD1-CD1 4.29Å; I330-F349 HydrophobicContact CD1-CB 3.96Å; I330-F349 HydrophobicContact CD1-CD1 3.64Å; I330-F349 HydrophobicContact CD1-CD2 3.71Å; I330-F349 HydrophobicContact CD1-CE1 3.96Å; I330-F349 HydrophobicContact CD1-CE2 3.96Å; I330-F349 HydrophobicContact CD1-CG 3.5Å; I330-F349 VanDerWaalsContact CD1-CG 3.5Å; I330-F349 HydrophobicContact CD1-CZ 4.09Å; I330-L358 HydrophobicContact CB-CD2 4.12Å; I330-L358 HydrophobicContact CD1-CD1 4.3Å; I330-L358 HydrophobicContact CD1-CD2 4.01Å; I330-L358 HydrophobicContact CG1-CD2 3.91Å; I330-L358 HydrophobicContact CG2-CD2 3.15Å | ||
| 331 | S | 83.1 | Confident | 90.5 | Very high | 12 Ų | 12 | 52.5 Ų | 52.5 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | trans | -156.3 | 158.5 | -170.6 | 58.5 | 0 | 0 | 0 | 0 | 109.3 | G312 Q333 | G312-S331 CarbonylContact C-O 3.57Å; G312-S331 WeakPolarHBondContact CA-O 3.19Å; S331-Q333 PolarHBondContact O-N 3.43Å; S331-Q333 PolarHBondContact OG-O 3.01Å | ||
| 332 | D | 84.5 | Confident | 90.7 | Very high | 149 Ų | 149 | 49.2 Ų | 49.2 | 80% | 0.797 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -79.7 | 18.6 | 174.7 | -50.6 | -37.9 | 0 | 0 | 0 | 112.9 | ||
| 333 | Q | 85.6 | Confident | 90.7 | Very high | 56 Ų | 56 | 50.3 Ų | 50.3 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -131.6 | 154.5 | -168.4 | -66.4 | -66.3 | -25.8 | 0 | 0 | 110.3 | G312 S331 I335 C351 R353 M354 | G312-Q333 WeakPolarHBondContact CA-O 3.43Å; G312-Q333 PolarHBondContact N-O 2.91Å; S331-Q333 PolarHBondContact O-N 3.43Å; S331-Q333 PolarHBondContact OG-O 3.01Å; Q333-I335 PolarHBondContact O-N 2.79Å; Q333-C351 WeakPolarHBondContact CB-SG 3.28Å; Q333-R353 VanDerWaalsContact OE1-CD 3.31Å; Q333-M354 HydrophobicContact CB-CG 4.37Å; Q333-M354 HydrophobicContact CG-CG 3.73Å |
| 334 | R | 87.4 | Confident | 90.6 | Very high | 112 Ų | 112 | 47.1 Ų | 47.1 | 42% | 0.423 | 27% | 0.27 | S | S | . | . | trans | -58.3 | 132.9 | -176.7 | 70.9 | 177.6 | -175.6 | -172.8 | -2.1 | 112.7 | A310 A336 C351 E682 | A310-R334 HydrophobicContact CB-CB 4.43Å; A310-R334 WeakPolarHBondContact O-CA 3.3Å; A310-R334 PolarHBondContact O-N 3.03Å; R334-A336 PolarHBondContact O-N 2.87Å; R334-C351 PolarHBondContact O-SG 2.89Å; R334-E682 IonicContact CZ-OE1 2.82Å; R334-E682 IonicContact NH1-OE1 3.95Å; R334-E682 PolarHBondContact NH1-OE1 2.86Å | ||
| 335 | I | 92.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 116.6 | 167.8 | -66.7 | 162.5 | 0 | 0 | 0 | 107.1 | T294 F309 I313 F314 I330 Q333 V338 F349 | T294-I335 VanDerWaalsContact CB-O 3.23Å; T294-I335 WeakPolarHBondContact CB-O 3.37Å; T294-I335 PolarHBondContact OG1-O 2.8Å; F309-I335 PolarHBondContact O-N 3.49Å; I313-I335 WeakPolarHBondContact O-CD1 3.41Å; F314-I335 HydrophobicContact CB-CD1 3.95Å; I330-I335 HydrophobicContact CD1-CD1 4.29Å; Q333-I335 PolarHBondContact O-N 2.79Å; I335-V338 HydrophobicContact CG2-CG2 3.67Å; I335-F349 HydrophobicContact CD1-CD1 4.3Å; I335-F349 HydrophobicContact CG2-CD1 4.13Å |
| 336 | A | 90.2 | Very high | 90.6 | Very high | 36 Ų | 36 | 44.4 Ų | 44.4 | 30% | 0.298 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -33.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y15 R334 G350 | Y15-A336 HydrophobicContact CE1-CB 4.2Å; Y15-A336 WeakPolarHBondContact OH-CB 3.14Å; R334-A336 PolarHBondContact O-N 2.87Å; A336-G350 WeakPolarHBondContact CB-O 3.49Å; A336-G350 PolarHBondContact N-O 2.75Å |
| 337 | S | 92 | Very high | 90.9 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 147.9 | -179.3 | 56 | 0 | 0 | 0 | 0 | 111.8 | Y15 G18 L20 G350 | Y15-S337 PolarHBondContact OH-OG 3.44Å; G18-S337 WeakPolarHBondContact O-CB 3.32Å; G18-S337 PolarHBondContact O-OG 3.2Å; L20-S337 WeakPolarHBondContact CG-OG 3.47Å; S337-G350 PolarHBondContact N-O 2.82Å; S337-G350 PolarHBondContact O-N 2.92Å |
| 338 | V | 95.1 | Very high | 91.1 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 11% | 0.109 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 135.6 | 176.7 | -179 | 0 | 0 | 0 | 0 | 107.9 | A295 A297 V306 I335 I347 A348 F349 | A295-V338 HydrophobicContact CB-CB 4.43Å; A295-V338 HydrophobicContact CB-CG2 3.91Å; A297-V338 HydrophobicContact CB-CB 4.27Å; A297-V338 HydrophobicContact CB-CG1 3.89Å; V306-V338 HydrophobicContact CB-CG1 3.89Å; V306-V338 HydrophobicContact CG1-CG1 3.63Å; I335-V338 HydrophobicContact CG2-CG2 3.67Å; V338-I347 HydrophobicContact CG1-CG2 3.97Å; V338-A348 WeakPolarHBondContact CA-O 3.29Å; V338-F349 HydrophobicContact CG1-CD1 4.39Å; V338-F349 HydrophobicContact CG1-CE1 4.19Å; V338-F349 HydrophobicContact CG2-CD1 3.75Å; V338-F349 HydrophobicContact CG2-CE1 4Å |
| 339 | A | 94.5 | Very high | 91.2 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 148.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | L20 F22 I347 A348 | L20-A339 HydrophobicContact CB-CB 3.99Å; L20-A339 WeakPolarHBondContact O-CB 3.43Å; F22-A339 HydrophobicContact CD2-CB 4.16Å; F22-A339 HydrophobicContact CE2-CB 4.21Å; A339-I347 WeakPolarHBondContact O-CA 3.18Å; A339-A348 PolarHBondContact N-O 2.85Å; A339-A348 PolarHBondContact O-N 2.96Å |
| 340 | V | 94.3 | Very high | 91.4 | Very high | 30 Ų | 30 | 33.4 Ų | 33.4 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 142.5 | 176.2 | -172.2 | 0 | 0 | 0 | 0 | 108.7 | F22 A297 H299 V306 I347 | F22-V340 VanDerWaalsContact CD2-C 3.5Å; A297-V340 HydrophobicContact CB-CG2 4.05Å; H299-V340 HydrophobicContact CB-CB 4.32Å; H299-V340 HydrophobicContact CB-CG1 3.87Å; V306-V340 HydrophobicContact CG2-CG2 3.77Å; V340-I347 HydrophobicContact CG2-CG1 4.47Å |
| 341 | N | 94.2 | Very high | 91.5 | Very high | 9 Ų | 9 | 32.6 Ų | 32.6 | 5% | 0.048 | 18% | 0.182 | C | C | . | . | trans | -63.4 | 153.5 | 174.3 | -172.9 | 2.5 | 0 | 0 | 0 | 110.9 | F22 G26 H299 S343 G344 W346 | F22-N341 HydrophobicContact CD1-CB 4.18Å; F22-N341 HydrophobicContact CD2-CB 4.29Å; F22-N341 HydrophobicContact CE1-CB 4.2Å; F22-N341 HydrophobicContact CE2-CB 4.33Å; F22-N341 HydrophobicContact CG-CB 4.21Å; F22-N341 HydrophobicContact CZ-CB 4.27Å; G26-N341 VanDerWaalsContact CA-CG 3.49Å; G26-N341 WeakPolarHBondContact CA-OD1 3.06Å; G26-N341 PolarHBondContact O-ND2 2.75Å; H299-N341 PolarHBondContact CD2-O 3.01Å; N341-S343 PolarHBondContact ND2-OG 2.98Å; N341-S343 PolarHBondContact O-N 3.26Å; N341-G344 PolarHBondContact O-N 2.9Å; N341-W346 HydrophobicContact CB-CB 4.05Å; N341-W346 WeakPolarHBondContact CB-O 3.22Å; N341-W346 PolarHBondContact N-O 3.05Å | ||
| 342 | S | 88.8 | Confident | 91.5 | Very high | 74 Ų | 74 | 33.5 Ų | 33.5 | 52% | 0.517 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -30 | 170.3 | 62.9 | 0 | 0 | 0 | 0 | 115.1 | K24 H299 | K24-S342 PolarHBondContact O-OG 2.96Å; H299-S342 PolarHBondContact NE2-O 3.45Å |
| 343 | S | 90.9 | Very high | 91.4 | Very high | 58 Ų | 58 | 31.3 Ų | 31.3 | 41% | 0.406 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -24.1 | 174.5 | 71.2 | 0 | 0 | 0 | 0 | 113.2 | H299 N341 D345 | H299-S343 PolarHBondContact CE1-O 2.74Å; N341-S343 PolarHBondContact ND2-OG 2.98Å; N341-S343 PolarHBondContact O-N 3.26Å; S343-D345 VanDerWaalsContact CB-OD2 3.3Å; S343-D345 WeakPolarHBondContact CB-OD2 3.36Å; S343-D345 PolarHBondContact OG-N 2.92Å; S343-D345 PolarHBondContact OG-OD2 3.1Å |
| 344 | G | 90.2 | Very high | 91.1 | Very high | 3 Ų | 3 | 31 Ų | 31 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 90 | -4.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | H299 N341 W362 | H299-G344 VanDerWaalsContact CE1-CA 3.42Å; H299-G344 WeakPolarHBondContact CE1-CA 3.34Å; H299-G344 PolarHBondContact NE2-N 2.94Å; N341-G344 PolarHBondContact O-N 2.9Å; G344-W362 PolarHBondContact O-NE1 2.88Å |
| 345 | D | 92.2 | Very high | 91.1 | Very high | 54 Ų | 54 | 26.1 Ų | 26.1 | 29% | 0.289 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -81.2 | -32.7 | -173.6 | -53.3 | -50.6 | 0 | 0 | 0 | 113.1 | S343 W362 Q363 | S343-D345 VanDerWaalsContact CB-OD2 3.3Å; S343-D345 WeakPolarHBondContact CB-OD2 3.36Å; S343-D345 PolarHBondContact OG-N 2.92Å; S343-D345 PolarHBondContact OG-OD2 3.1Å; D345-W362 PolarHBondContact O-N 2.97Å; D345-Q363 PolarHBondContact OD1-NE2 3.2Å; D345-Q363 VanDerWaalsContact OD1-NE2 3.15Å |
| 346 | W | 95.4 | Very high | 91.1 | Very high | 43 Ų | 43 | 27.3 Ų | 27.3 | 16% | 0.163 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 138.8 | -175.4 | -64.1 | -10.5 | 0 | 0 | 0 | 111.9 | F22 L42 N341 V359 W360 E361 V368 | F22-W346 HydrophobicContact CE1-CB 4.41Å; F22-W346 HydrophobicContact CE1-CE3 4.44Å; F22-W346 HydrophobicContact CZ-CB 4.24Å; L42-W346 HydrophobicContact CB-CH2 4.4Å; L42-W346 HydrophobicContact CB-CZ3 4.08Å; L42-W346 HydrophobicContact CD1-CE3 3.74Å; L42-W346 HydrophobicContact CD1-CZ3 3.63Å; L42-W346 HydrophobicContact CG-CZ3 4.47Å; N341-W346 HydrophobicContact CB-CB 4.05Å; N341-W346 WeakPolarHBondContact CB-O 3.22Å; N341-W346 PolarHBondContact N-O 3.05Å; W346-V359 HydrophobicContact CB-CG1 3.82Å; W346-V359 HydrophobicContact CD2-CG1 4.44Å; W346-V359 HydrophobicContact CG-CG1 4.18Å; W346-W360 WeakPolarHBondContact CA-O 3.41Å; W346-E361 PolarHBondContact NE1-OE1 2.92Å; W346-V368 HydrophobicContact CZ2-CG1 4.27Å |
| 347 | I | 95.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 123.3 | 178.6 | -53.8 | 169.3 | 0 | 0 | 0 | 108.1 | V306 L316 V338 A339 V340 F349 V359 W360 W362 | V306-I347 HydrophobicContact CG1-CG2 4Å; V306-I347 HydrophobicContact CG2-CD1 3.72Å; V306-I347 HydrophobicContact CG2-CG1 4.19Å; V306-I347 HydrophobicContact CG2-CG2 4.12Å; L316-I347 HydrophobicContact CD1-CD1 3.71Å; V338-I347 HydrophobicContact CG1-CG2 3.97Å; A339-I347 WeakPolarHBondContact O-CA 3.18Å; V340-I347 HydrophobicContact CG2-CG1 4.47Å; I347-F349 HydrophobicContact CB-CE2 3.87Å; I347-F349 HydrophobicContact CB-CZ 4.29Å; I347-F349 HydrophobicContact CG2-CD2 4Å; I347-F349 HydrophobicContact CG2-CE1 4.14Å; I347-F349 HydrophobicContact CG2-CE2 3.36Å; I347-F349 HydrophobicContact CG2-CZ 3.44Å; I347-F349 VanDerWaalsContact CG2-CZ 3.44Å; I347-V359 CarbonylContact O-C 3.59Å; I347-V359 WeakPolarHBondContact O-CA 3.4Å; I347-W360 HydrophobicContact CD1-CE3 4.08Å; I347-W360 HydrophobicContact CD1-CZ3 4.2Å; I347-W360 PolarHBondContact N-O 2.87Å; I347-W360 PolarHBondContact O-N 3.03Å; I347-W362 HydrophobicContact CD1-CB 4.08Å; I347-W362 HydrophobicContact CD1-CG 4.21Å |
| 348 | A | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L20 F22 V29 V338 A339 L358 V359 | L20-A348 HydrophobicContact CD1-CB 4.15Å; F22-A348 HydrophobicContact CE2-CB 3.6Å; F22-A348 HydrophobicContact CZ-CB 3.63Å; V29-A348 HydrophobicContact CG1-CB 4.48Å; V29-A348 HydrophobicContact CG2-CB 4.47Å; V338-A348 WeakPolarHBondContact CA-O 3.29Å; A339-A348 PolarHBondContact N-O 2.85Å; A339-A348 PolarHBondContact O-N 2.96Å; A348-L358 CarbonylContact C-O 3.48Å; A348-L358 VanDerWaalsContact CA-O 3.29Å; A348-L358 WeakPolarHBondContact CA-O 3.45Å; A348-V359 HydrophobicContact CB-CG2 4.27Å |
| 349 | F | 95.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.018 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134 | 175.4 | -58.4 | -97.3 | 0 | 0 | 0 | 110.4 | V306 F314 I330 I335 V338 I347 L358 W360 | V306-F349 HydrophobicContact CG1-CE1 3.87Å; V306-F349 HydrophobicContact CG1-CZ 3.89Å; F314-F349 HydrophobicContact CB-CE1 3.66Å; F314-F349 HydrophobicContact CB-CZ 4.14Å; F314-F349 HydrophobicContact CD1-CE1 4.13Å; F314-F349 AromaticContact CD1-CZ 3.95Å; F314-F349 HydrophobicContact CD1-CZ 3.95Å; F314-F349 AromaticContact CD2-CE1 3.92Å; F314-F349 HydrophobicContact CD2-CE1 3.92Å; F314-F349 AromaticContact CD2-CZ 3.49Å; F314-F349 HydrophobicContact CD2-CZ 3.49Å; F314-F349 VanDerWaalsContact CD2-CZ 3.49Å; F314-F349 HydrophobicContact CE1-CE2 4.47Å; F314-F349 HydrophobicContact CE1-CZ 4.16Å; F314-F349 HydrophobicContact CE2-CE2 4.45Å; F314-F349 AromaticContact CE2-CZ 3.76Å; F314-F349 HydrophobicContact CE2-CZ 3.76Å; F314-F349 AromaticContact CG-CE1 3.63Å; F314-F349 HydrophobicContact CG-CE1 3.63Å; F314-F349 AromaticContact CG-CZ 3.58Å; F314-F349 HydrophobicContact CG-CZ 3.58Å; F314-F349 HydrophobicContact CZ-CE2 4.4Å; F314-F349 HydrophobicContact CZ-CZ 4.07Å; I330-F349 HydrophobicContact CD1-CB 3.96Å; I330-F349 HydrophobicContact CD1-CD1 3.64Å; I330-F349 HydrophobicContact CD1-CD2 3.71Å; I330-F349 HydrophobicContact CD1-CE1 3.96Å; I330-F349 HydrophobicContact CD1-CE2 3.96Å; I330-F349 HydrophobicContact CD1-CG 3.5Å; I330-F349 VanDerWaalsContact CD1-CG 3.5Å; I330-F349 HydrophobicContact CD1-CZ 4.09Å; I335-F349 HydrophobicContact CD1-CD1 4.3Å; I335-F349 HydrophobicContact CG2-CD1 4.13Å; V338-F349 HydrophobicContact CG1-CD1 4.39Å; V338-F349 HydrophobicContact CG1-CE1 4.19Å; V338-F349 HydrophobicContact CG2-CD1 3.75Å; V338-F349 HydrophobicContact CG2-CE1 4Å; I347-F349 HydrophobicContact CB-CE2 3.87Å; I347-F349 HydrophobicContact CB-CZ 4.29Å; I347-F349 HydrophobicContact CG2-CD2 4Å; I347-F349 HydrophobicContact CG2-CE1 4.14Å; I347-F349 HydrophobicContact CG2-CE2 3.36Å; I347-F349 HydrophobicContact CG2-CZ 3.44Å; I347-F349 VanDerWaalsContact CG2-CZ 3.44Å; F349-L358 HydrophobicContact CB-CD1 4.08Å; F349-L358 HydrophobicContact CB-CD2 4.43Å; F349-L358 HydrophobicContact CB-CG 3.97Å; F349-L358 HydrophobicContact CD2-CD1 3.4Å; F349-L358 VanDerWaalsContact CD2-CD1 3.4Å; F349-L358 HydrophobicContact CD2-CG 4.24Å; F349-L358 HydrophobicContact CE2-CD1 4.21Å; F349-L358 HydrophobicContact CG-CD1 4.14Å; F349-L358 PolarHBondContact N-O 3.48Å; F349-L358 PolarHBondContact O-N 2.99Å; F349-L358 VanDerWaalsContact O-N 3.08Å; F349-W360 HydrophobicContact CE2-CB 4.26Å |
| 350 | G | 93.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 120 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | A336 S337 | A336-G350 WeakPolarHBondContact CB-O 3.49Å; A336-G350 PolarHBondContact N-O 2.75Å; S337-G350 PolarHBondContact N-O 2.82Å; S337-G350 PolarHBondContact O-N 2.92Å |
| 351 | C | 91 | Very high | 91.5 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 3% | 0.027 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 114.5 | 171.4 | -178 | 0 | 0 | 0 | 0 | 110 | Y15 Q333 R334 G355 Q356 | Y15-C351 WeakPolarHBondContact CD1-O 3.39Å; Q333-C351 WeakPolarHBondContact CB-SG 3.28Å; R334-C351 PolarHBondContact O-SG 2.89Å; C351-G355 WeakPolarHBondContact O-CA 3.35Å; C351-G355 PolarHBondContact O-N 3.03Å; C351-Q356 HydrophobicContact CB-CB 4.18Å; C351-Q356 PolarHBondContact N-O 3.24Å; C351-Q356 PolarHBondContact O-N 2.96Å; C351-Q356 VanDerWaalsContact O-N 3.12Å |
| 352 | S | 83.6 | Confident | 91.4 | Very high | 31 Ų | 31 | 27.1 Ų | 27.1 | 22% | 0.217 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -46.4 | -170.6 | 172.1 | 0 | 0 | 0 | 0 | 112.5 | R16 G355 | R16-S352 VanDerWaalsContact O-CA 3.3Å; R16-S352 WeakPolarHBondContact O-CA 3.5Å; R16-S352 WeakPolarHBondContact O-CB 3.48Å; R16-S352 PolarHBondContact O-OG 3.02Å; S352-G355 PolarHBondContact O-N 3.06Å |
| 353 | R | 81.1 | Confident | 91.6 | Very high | 104 Ų | 104 | 29.3 Ų | 29.3 | 39% | 0.392 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -53.5 | -175.3 | -166.8 | 159.2 | 177.9 | 172.9 | 8.6 | 110.2 | Q333 G355 F375 D685 | Q333-R353 VanDerWaalsContact OE1-CD 3.31Å; R353-G355 VanDerWaalsContact C-N 3.29Å; R353-G355 PolarHBondContact O-N 2.95Å; R353-F375 HydrophobicContact CG-CE2 3.81Å; R353-F375 HydrophobicContact CG-CZ 4.29Å; R353-F375 WeakPolarHBondContact O-CD2 3.48Å; R353-F375 WeakPolarHBondContact O-CE2 3.37Å; R353-D685 IonicContact CZ-OD2 3.6Å; R353-D685 IonicContact NH1-OD2 3.18Å; R353-D685 PolarHBondContact NH1-OD2 3.19Å; R353-D685 IonicContact NH2-OD2 3.66Å; R353-D685 PolarHBondContact NH2-OD2 3.23Å |
| 354 | M | 80.6 | Confident | 91.7 | Very high | 48 Ų | 48 | 29.3 Ų | 29.3 | 24% | 0.236 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -6.1 | -177.9 | -71.4 | -73.3 | -97.4 | 0 | 0 | 115 | Q333 Q356 F375 | Q333-M354 HydrophobicContact CB-CG 4.37Å; Q333-M354 HydrophobicContact CG-CG 3.73Å; M354-Q356 VanDerWaalsContact C-N 3.28Å; M354-Q356 HydrophobicContact CB-CG 3.75Å; M354-Q356 PolarHBondContact O-N 2.94Å; M354-F375 HydrophobicContact SD-CB 4.46Å; M354-F375 HydrophobicContact SD-CD2 4.1Å; M354-F375 HydrophobicContact SD-CG 4.2Å |
| 355 | G | 86.3 | Confident | 91.7 | Very high | 11 Ų | 11 | 35.1 Ų | 35.1 | 11% | 0.113 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 39.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y15 C351 S352 R353 G373 | Y15-G355 WeakPolarHBondContact O-CA 3.49Å; C351-G355 WeakPolarHBondContact O-CA 3.35Å; C351-G355 PolarHBondContact O-N 3.03Å; S352-G355 PolarHBondContact O-N 3.06Å; R353-G355 VanDerWaalsContact C-N 3.29Å; R353-G355 PolarHBondContact O-N 2.95Å; G355-G373 PolarHBondContact O-N 2.83Å |
| 356 | Q | 91.6 | Very high | 91.8 | Very high | 26 Ų | 26 | 34.8 Ų | 34.8 | 12% | 0.121 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 137.4 | -178.9 | -67.9 | 177.1 | -1.4 | 0 | 0 | 110.6 | C351 M354 Q371 Q372 | C351-Q356 HydrophobicContact CB-CB 4.18Å; C351-Q356 PolarHBondContact N-O 3.24Å; C351-Q356 PolarHBondContact O-N 2.96Å; C351-Q356 VanDerWaalsContact O-N 3.12Å; M354-Q356 VanDerWaalsContact C-N 3.28Å; M354-Q356 HydrophobicContact CB-CG 3.75Å; M354-Q356 PolarHBondContact O-N 2.94Å; Q356-Q371 WeakPolarHBondContact CA-O 3.31Å; Q356-Q372 HydrophobicContact CG-CB 3.84Å; Q356-Q372 HydrophobicContact CG-CG 3.59Å |
| 357 | L | 94.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130.7 | 169.3 | -179.8 | 62.9 | 0 | 0 | 0 | 108 | V14 L20 V29 F40 F369 Q371 | V14-L357 HydrophobicContact CB-CB 4.23Å; V14-L357 HydrophobicContact CG1-CB 3.44Å; V14-L357 VanDerWaalsContact CG1-CB 3.44Å; V14-L357 HydrophobicContact CG1-CD2 3.72Å; V14-L357 HydrophobicContact CG1-CG 4.18Å; L20-L357 HydrophobicContact CD1-CD1 3.51Å; L20-L357 HydrophobicContact CD2-CD1 3.71Å; L20-L357 HydrophobicContact CG-CD1 4.28Å; V29-L357 HydrophobicContact CG1-CD1 4.4Å; V29-L357 HydrophobicContact CG1-CD2 4.2Å; F40-L357 HydrophobicContact CD2-CD2 3.7Å; F40-L357 HydrophobicContact CE2-CD2 3.83Å; L357-F369 HydrophobicContact CB-CE1 4.36Å; L357-F369 HydrophobicContact CD2-CE1 3.92Å; L357-F369 HydrophobicContact CG-CD1 4.41Å; L357-F369 HydrophobicContact CG-CE1 4.04Å; L357-Q371 PolarHBondContact N-O 2.89Å; L357-Q371 PolarHBondContact O-N 2.7Å; L357-Q371 VanDerWaalsContact O-O 3.06Å |
| 358 | L | 94.4 | Very high | 91.6 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 154.7 | 173.2 | 71.7 | 91.5 | 0 | 0 | 0 | 111.2 | I330 A348 F349 W360 Y367 F369 | I330-L358 HydrophobicContact CB-CD2 4.12Å; I330-L358 HydrophobicContact CD1-CD1 4.3Å; I330-L358 HydrophobicContact CD1-CD2 4.01Å; I330-L358 HydrophobicContact CG1-CD2 3.91Å; I330-L358 HydrophobicContact CG2-CD2 3.15Å; A348-L358 CarbonylContact C-O 3.48Å; A348-L358 VanDerWaalsContact CA-O 3.29Å; A348-L358 WeakPolarHBondContact CA-O 3.45Å; F349-L358 HydrophobicContact CB-CD1 4.08Å; F349-L358 HydrophobicContact CB-CD2 4.43Å; F349-L358 HydrophobicContact CB-CG 3.97Å; F349-L358 HydrophobicContact CD2-CD1 3.4Å; F349-L358 VanDerWaalsContact CD2-CD1 3.4Å; F349-L358 HydrophobicContact CD2-CG 4.24Å; F349-L358 HydrophobicContact CE2-CD1 4.21Å; F349-L358 HydrophobicContact CG-CD1 4.14Å; F349-L358 PolarHBondContact N-O 3.48Å; F349-L358 PolarHBondContact O-N 2.99Å; F349-L358 VanDerWaalsContact O-N 3.08Å; L358-W360 HydrophobicContact CD1-CB 4Å; L358-Y367 HydrophobicContact CD1-CD1 4.27Å; L358-Y367 HydrophobicContact CD1-CE1 4.22Å; L358-Y367 HydrophobicContact CD2-CE1 4.49Å; L358-F369 CarbonylContact C-O 3.55Å; L358-F369 WeakPolarHBondContact CA-O 3.2Å; L358-F369 WeakPolarHBondContact CB-O 3.46Å |
| 359 | V | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 122.2 | 172.2 | -174.1 | 0 | 0 | 0 | 0 | 107.1 | F22 V29 L42 W346 I347 A348 V368 F369 | F22-V359 HydrophobicContact CE1-CG1 4.49Å; F22-V359 HydrophobicContact CZ-CG1 4.25Å; V29-V359 HydrophobicContact CG2-CG2 3.8Å; L42-V359 HydrophobicContact CD1-CB 4.25Å; L42-V359 HydrophobicContact CD1-CG1 3.97Å; L42-V359 HydrophobicContact CD1-CG2 3.95Å; L42-V359 HydrophobicContact CD2-CG2 4.41Å; W346-V359 HydrophobicContact CB-CG1 3.82Å; W346-V359 HydrophobicContact CD2-CG1 4.44Å; W346-V359 HydrophobicContact CG-CG1 4.18Å; I347-V359 CarbonylContact O-C 3.59Å; I347-V359 WeakPolarHBondContact O-CA 3.4Å; A348-V359 HydrophobicContact CB-CG2 4.27Å; V359-V368 HydrophobicContact CB-CB 4.47Å; V359-V368 HydrophobicContact CG1-CB 4.4Å; V359-V368 PolarHBondContact O-N 2.85Å; V359-F369 HydrophobicContact CB-CB 3.8Å; V359-F369 HydrophobicContact CG2-CB 3.9Å; V359-F369 HydrophobicContact CG2-CD1 4.22Å; V359-F369 HydrophobicContact CG2-CG 4.43Å; V359-F369 PolarHBondContact N-O 2.9Å; V359-F369 PolarHBondContact O-N 3.22Å; V359-F369 VanDerWaalsContact O-N 3.12Å |
| 360 | W | 95.6 | Very high | 91.2 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 1% | 0.011 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131 | -176 | -175.8 | 64.8 | 0 | 0 | 0 | 109.4 | F314 L316 H326 L328 W346 I347 F349 L358 W362 E365 Y367 | F314-W360 AromaticContact CE2-CE3 3.84Å; F314-W360 HydrophobicContact CE2-CE3 3.84Å; F314-W360 HydrophobicContact CE2-CH2 4.18Å; F314-W360 AromaticContact CE2-CZ3 3.53Å; F314-W360 HydrophobicContact CE2-CZ3 3.53Å; F314-W360 HydrophobicContact CZ-CD2 4.04Å; F314-W360 AromaticContact CZ-CE3 3.62Å; F314-W360 HydrophobicContact CZ-CE3 3.62Å; F314-W360 HydrophobicContact CZ-CH2 4.01Å; F314-W360 HydrophobicContact CZ-CZ2 4.4Å; F314-W360 AromaticContact CZ-CZ3 3.58Å; F314-W360 HydrophobicContact CZ-CZ3 3.58Å; L316-W360 HydrophobicContact CD2-CZ3 4.38Å; H326-W360 HydrophobicContact CB-CH2 4.21Å; H326-W360 AromaticContact CD2-CH2 3.72Å; L328-W360 HydrophobicContact CD1-CH2 4.1Å; L328-W360 HydrophobicContact CD1-CZ2 3.6Å; W346-W360 WeakPolarHBondContact CA-O 3.41Å; I347-W360 HydrophobicContact CD1-CE3 4.08Å; I347-W360 HydrophobicContact CD1-CZ3 4.2Å; I347-W360 PolarHBondContact N-O 2.87Å; I347-W360 PolarHBondContact O-N 3.03Å; F349-W360 HydrophobicContact CE2-CB 4.26Å; L358-W360 HydrophobicContact CD1-CB 4Å; W360-W362 HydrophobicContact CD2-CB 4.36Å; W360-W362 HydrophobicContact CE3-CB 3.58Å; W360-W362 VanDerWaalsContact CH2-CA 3.49Å; W360-W362 HydrophobicContact CH2-CB 3.46Å; W360-W362 VanDerWaalsContact CH2-CB 3.46Å; W360-W362 HydrophobicContact CZ2-CB 4.24Å; W360-W362 VanDerWaalsContact CZ3-CA 3.5Å; W360-W362 HydrophobicContact CZ3-CB 3.08Å; W360-W362 HydrophobicContact CZ3-CG 4.44Å; W360-E365 HydrophobicContact CZ2-CB 4.38Å; W360-E365 HydrophobicContact CZ2-CG 4.44Å; W360-E365 VanDerWaalsContact NE1-C 3.35Å; W360-E365 PolarHBondContact NE1-O 3.37Å; W360-Y367 HydrophobicContact CB-CD1 4.47Å; W360-Y367 AromaticContact CD1-CD1 3.91Å; W360-Y367 AromaticContact CD1-CE1 3.98Å |
| 361 | E | 94.9 | Very high | 91.1 | Very high | 56 Ų | 56 | 47.6 Ų | 47.6 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 110.2 | 171.4 | -179 | 174.7 | -122.1 | 0 | 0 | 108 | W346 S364 E365 S366 V368 | W346-E361 PolarHBondContact NE1-OE1 2.92Å; E361-S364 WeakPolarHBondContact CB-OG 3.39Å; E361-S364 VanDerWaalsContact CD-OG 3.29Å; E361-S364 VanDerWaalsContact CG-OG 3.31Å; E361-S364 WeakPolarHBondContact CG-OG 3.36Å; E361-S364 WeakPolarHBondContact OE2-CB 3.42Å; E361-S364 PolarHBondContact OE2-OG 3.26Å; E361-E365 WeakPolarHBondContact O-CA 3.43Å; E361-E365 PolarHBondContact O-N 2.9Å; E361-E365 VanDerWaalsContact O-N 3.07Å; E361-S366 PolarHBondContact N-O 3.32Å; E361-S366 PolarHBondContact O-N 3.46Å; E361-V368 HydrophobicContact CB-CG2 3.77Å |
| 362 | W | 92.7 | Very high | 91.1 | Very high | 42 Ų | 42 | 49.1 Ų | 49.1 | 16% | 0.159 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -27.8 | -167.2 | 65.4 | -92.5 | 0 | 0 | 0 | 113.4 | I304 L316 G344 D345 I347 W360 | I304-W362 HydrophobicContact CD1-CD2 4.46Å; I304-W362 HydrophobicContact CD1-CH2 3.65Å; I304-W362 HydrophobicContact CD1-CZ2 3.19Å; I304-W362 HydrophobicContact CD1-CZ3 4.44Å; L316-W362 HydrophobicContact CD2-CB 3.87Å; L316-W362 HydrophobicContact CD2-CD2 3.94Å; L316-W362 HydrophobicContact CD2-CE3 3.88Å; L316-W362 HydrophobicContact CD2-CG 3.95Å; G344-W362 PolarHBondContact O-NE1 2.88Å; D345-W362 PolarHBondContact O-N 2.97Å; I347-W362 HydrophobicContact CD1-CB 4.08Å; I347-W362 HydrophobicContact CD1-CG 4.21Å; W360-W362 HydrophobicContact CD2-CB 4.36Å; W360-W362 HydrophobicContact CE3-CB 3.58Å; W360-W362 VanDerWaalsContact CH2-CA 3.49Å; W360-W362 HydrophobicContact CH2-CB 3.46Å; W360-W362 VanDerWaalsContact CH2-CB 3.46Å; W360-W362 HydrophobicContact CZ2-CB 4.24Å; W360-W362 VanDerWaalsContact CZ3-CA 3.5Å; W360-W362 HydrophobicContact CZ3-CB 3.08Å; W360-W362 HydrophobicContact CZ3-CG 4.44Å |
| 363 | Q | 92.1 | Very high | 91.3 | Very high | 120 Ų | 120 | 47.7 Ų | 47.7 | 56% | 0.561 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -35.5 | 178.8 | -65.8 | 175.2 | 17.1 | 0 | 0 | 112.5 | D345 | D345-Q363 PolarHBondContact OD1-NE2 3.2Å; D345-Q363 VanDerWaalsContact OD1-NE2 3.15Å |
| 364 | S | 92.9 | Very high | 91.5 | Very high | 58 Ų | 58 | 43.8 Ų | 43.8 | 41% | 0.406 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -3.4 | 178.4 | 68.1 | 0 | 0 | 0 | 0 | 112.9 | E361 S366 | E361-S364 WeakPolarHBondContact CB-OG 3.39Å; E361-S364 VanDerWaalsContact CD-OG 3.29Å; E361-S364 VanDerWaalsContact CG-OG 3.31Å; E361-S364 WeakPolarHBondContact CG-OG 3.36Å; E361-S364 WeakPolarHBondContact OE2-CB 3.42Å; E361-S364 PolarHBondContact OE2-OG 3.26Å; S364-S366 PolarHBondContact O-N 3.36Å; S364-S366 VanDerWaalsContact O-N 3.14Å; S364-S366 PolarHBondContact OG-OG 2.94Å |
| 365 | E | 92.1 | Very high | 91.4 | Very high | 124 Ų | 124 | 44 Ų | 44 | 58% | 0.579 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 26.2 | -173.2 | -58.3 | 179 | -175 | 0 | 0 | 113.8 | H326 W360 E361 | H326-E365 IonicContact CE1-OE1 2.7Å; H326-E365 PolarHBondContact CE1-OE1 3.31Å; H326-E365 IonicContact ND1-OE1 3.84Å; H326-E365 IonicContact NE2-OE1 3.03Å; W360-E365 HydrophobicContact CZ2-CB 4.38Å; W360-E365 HydrophobicContact CZ2-CG 4.44Å; W360-E365 VanDerWaalsContact NE1-C 3.35Å; W360-E365 PolarHBondContact NE1-O 3.37Å; E361-E365 WeakPolarHBondContact O-CA 3.43Å; E361-E365 PolarHBondContact O-N 2.9Å; E361-E365 VanDerWaalsContact O-N 3.07Å |
| 366 | S | 93.4 | Very high | 91.2 | Very high | 48 Ų | 48 | 44.5 Ų | 44.5 | 34% | 0.336 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 149.6 | -171.4 | 78.1 | 0 | 0 | 0 | 0 | 113.2 | E361 S364 V368 | E361-S366 PolarHBondContact N-O 3.32Å; E361-S366 PolarHBondContact O-N 3.46Å; S364-S366 PolarHBondContact O-N 3.36Å; S364-S366 VanDerWaalsContact O-N 3.14Å; S364-S366 PolarHBondContact OG-OG 2.94Å; S366-V368 PolarHBondContact O-N 3.02Å |
| 367 | Y | 93.1 | Very high | 90.9 | Very high | 104 Ų | 104 | 44.9 Ų | 44.9 | 41% | 0.408 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 112.8 | 171.6 | -62.7 | -73.8 | 0 | 0 | 0 | 109.4 | L358 W360 F369 | L358-Y367 HydrophobicContact CD1-CD1 4.27Å; L358-Y367 HydrophobicContact CD1-CE1 4.22Å; L358-Y367 HydrophobicContact CD2-CE1 4.49Å; W360-Y367 HydrophobicContact CB-CD1 4.47Å; W360-Y367 AromaticContact CD1-CD1 3.91Å; W360-Y367 AromaticContact CD1-CE1 3.98Å; Y367-F369 VanDerWaalsContact C-N 3.35Å |
| 368 | V | 92.8 | Very high | 90.7 | Very high | 54 Ų | 54 | 45 Ų | 45 | 33% | 0.327 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -39.5 | 169.9 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | W346 V359 E361 S366 | W346-V368 HydrophobicContact CZ2-CG1 4.27Å; V359-V368 HydrophobicContact CB-CB 4.47Å; V359-V368 HydrophobicContact CG1-CB 4.4Å; V359-V368 PolarHBondContact O-N 2.85Å; E361-V368 HydrophobicContact CB-CG2 3.77Å; S366-V368 PolarHBondContact O-N 3.02Å |
| 369 | F | 91.6 | Very high | 90.5 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 130.6 | -176.2 | -174.2 | -101.1 | 0 | 0 | 0 | 109.8 | V14 F40 L42 L357 L358 V359 Y367 Q371 L408 | V14-F369 HydrophobicContact CG1-CE1 4.31Å; F40-F369 HydrophobicContact CB-CZ 4.38Å; F40-F369 HydrophobicContact CD1-CE2 4.37Å; F40-F369 AromaticContact CD1-CZ 3.75Å; F40-F369 HydrophobicContact CD1-CZ 3.75Å; F40-F369 HydrophobicContact CE1-CZ 4.21Å; F40-F369 HydrophobicContact CG-CZ 4.04Å; L42-F369 HydrophobicContact CD2-CB 3.84Å; L42-F369 HydrophobicContact CD2-CD1 4.47Å; L42-F369 HydrophobicContact CD2-CD2 3.7Å; L42-F369 HydrophobicContact CD2-CE2 4.27Å; L42-F369 HydrophobicContact CD2-CG 3.78Å; L357-F369 HydrophobicContact CB-CE1 4.36Å; L357-F369 HydrophobicContact CD2-CE1 3.92Å; L357-F369 HydrophobicContact CG-CD1 4.41Å; L357-F369 HydrophobicContact CG-CE1 4.04Å; L358-F369 CarbonylContact C-O 3.55Å; L358-F369 WeakPolarHBondContact CA-O 3.2Å; L358-F369 WeakPolarHBondContact CB-O 3.46Å; V359-F369 HydrophobicContact CB-CB 3.8Å; V359-F369 HydrophobicContact CG2-CB 3.9Å; V359-F369 HydrophobicContact CG2-CD1 4.22Å; V359-F369 HydrophobicContact CG2-CG 4.43Å; V359-F369 PolarHBondContact N-O 2.9Å; V359-F369 PolarHBondContact O-N 3.22Å; V359-F369 VanDerWaalsContact O-N 3.12Å; Y367-F369 VanDerWaalsContact C-N 3.35Å; F369-Q371 HydrophobicContact CD1-CB 4.4Å; F369-Q371 HydrophobicContact CD1-CG 4.17Å; F369-Q371 HydrophobicContact CD2-CG 4.1Å; F369-Q371 HydrophobicContact CE1-CB 3.65Å; F369-Q371 HydrophobicContact CE1-CG 3.53Å; F369-Q371 HydrophobicContact CE2-CB 4.46Å; F369-Q371 HydrophobicContact CE2-CG 3.45Å; F369-Q371 VanDerWaalsContact CE2-CG 3.45Å; F369-Q371 HydrophobicContact CG-CG 4.44Å; F369-Q371 HydrophobicContact CZ-CB 3.72Å; F369-Q371 HydrophobicContact CZ-CG 3.16Å; F369-L408 HydrophobicContact CE2-CD1 4.09Å; F369-L408 HydrophobicContact CE2-CD2 3.64Å; F369-L408 HydrophobicContact CZ-CD2 3.93Å |
| 370 | K | 92.3 | Very high | 90.4 | Very high | 124 Ų | 124 | 45.9 Ų | 45.9 | 54% | 0.539 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 107.5 | 171.2 | -176.2 | 175.6 | -177.3 | 171.1 | 0 | 108.4 | ||
| 371 | Q | 91.9 | Very high | 90.4 | Very high | 25 Ų | 25 | 45.7 Ų | 45.7 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138.1 | -178.9 | -70.7 | -63.9 | -40.6 | 0 | 0 | 110.2 | V14 Q356 L357 F369 L408 C409 | V14-Q371 HydrophobicContact CB-CB 4.48Å; V14-Q371 HydrophobicContact CG1-CB 3.87Å; V14-Q371 HydrophobicContact CG2-CB 3.96Å; Q356-Q371 WeakPolarHBondContact CA-O 3.31Å; L357-Q371 PolarHBondContact N-O 2.89Å; L357-Q371 PolarHBondContact O-N 2.7Å; L357-Q371 VanDerWaalsContact O-O 3.06Å; F369-Q371 HydrophobicContact CD1-CB 4.4Å; F369-Q371 HydrophobicContact CD1-CG 4.17Å; F369-Q371 HydrophobicContact CD2-CG 4.1Å; F369-Q371 HydrophobicContact CE1-CB 3.65Å; F369-Q371 HydrophobicContact CE1-CG 3.53Å; F369-Q371 HydrophobicContact CE2-CB 4.46Å; F369-Q371 HydrophobicContact CE2-CG 3.45Å; F369-Q371 VanDerWaalsContact CE2-CG 3.45Å; F369-Q371 HydrophobicContact CG-CG 4.44Å; F369-Q371 HydrophobicContact CZ-CB 3.72Å; F369-Q371 HydrophobicContact CZ-CG 3.16Å; Q371-L408 HydrophobicContact CG-CD2 4.33Å; Q371-C409 PolarHBondContact NE2-O 3.17Å; Q371-C409 VanDerWaalsContact OE1-N 3.1Å; Q371-C409 PolarHBondContact OE1-O 2.86Å |
| 372 | Q | 90.9 | Very high | 90.4 | Very high | 35 Ų | 35 | 43.3 Ų | 43.3 | 16% | 0.164 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 121.9 | 178.6 | 179 | 171.5 | 27.2 | 0 | 0 | 108.4 | Q356 K400 | Q356-Q372 HydrophobicContact CG-CB 3.84Å; Q356-Q372 HydrophobicContact CG-CG 3.59Å; Q372-K400 VanDerWaalsContact O-CE 3.31Å; Q372-K400 WeakPolarHBondContact O-CE 3.35Å; Q372-K400 PolarHBondContact O-NZ 2.97Å |
| 373 | G | 86.1 | Confident | 90.5 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | trans | -67.6 | -179.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G12 G355 | G12-G373 CarbonylContact O-C 3.54Å; G12-G373 WeakPolarHBondContact O-CA 3.48Å; G355-G373 PolarHBondContact O-N 2.83Å | ||
| 374 | H | 86.9 | Confident | 90.5 | Very high | 21 Ų | 21 | 36.6 Ų | 36.6 | 10% | 0.097 | 19% | 0.186 | C | C | . | . | trans | -72 | 133.9 | 163.7 | -76.1 | -74.9 | 0 | 0 | 0 | 109.3 | G12 N376 M378 T392 D396 K398 | G12-H374 PolarHBondContact O-N 3.35Å; H374-N376 WeakPolarHBondContact CB-O 3.29Å; H374-M378 HydrophobicContact CB-CG 3.97Å; H374-M378 VanDerWaalsContact CD2-CG 3.48Å; H374-M378 WeakPolarHBondContact CD2-CG 3.29Å; H374-T392 PolarHBondContact NE2-OG1 2.84Å; H374-D396 IonicContact CE1-OD1 3.12Å; H374-D396 IonicContact CG-OD2 3Å; H374-D396 IonicContact ND1-OD1 3.16Å; H374-D396 PolarHBondContact ND1-OD1 3.07Å; H374-D396 VanDerWaalsContact ND1-OD1 3.16Å; H374-D396 IonicContact ND1-OD2 3.77Å; H374-D396 PolarHBondContact ND1-OD2 2.86Å; H374-K398 PolarHBondContact CE1-O 2.91Å; H374-K398 VanDerWaalsContact CE1-O 3.3Å | ||
| 375 | F | 78 | Confident | 90.4 | Very high | 52 Ų | 52 | 35.7 Ų | 35.7 | 23% | 0.228 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -72.3 | -49.3 | 176.2 | 172.5 | -114.9 | 0 | 0 | 0 | 110.3 | R353 M354 M696 | R353-F375 HydrophobicContact CG-CE2 3.81Å; R353-F375 HydrophobicContact CG-CZ 4.29Å; R353-F375 WeakPolarHBondContact O-CD2 3.48Å; R353-F375 WeakPolarHBondContact O-CE2 3.37Å; M354-F375 HydrophobicContact SD-CB 4.46Å; M354-F375 HydrophobicContact SD-CD2 4.1Å; M354-F375 HydrophobicContact SD-CG 4.2Å; F375-M696 HydrophobicContact CD2-SD 4.38Å; F375-M696 HydrophobicContact CE1-CB 3.93Å; F375-M696 HydrophobicContact CE1-SD 4.13Å; F375-M696 HydrophobicContact CE2-SD 3.96Å; F375-M696 HydrophobicContact CZ-CB 3.75Å; F375-M696 HydrophobicContact CZ-CG 4.43Å; F375-M696 HydrophobicContact CZ-SD 3.84Å; F375-M696 WeakPolarHBondContact O-CE 3.44Å; F375-M696 VanDerWaalsContact O-SD 3.39Å |
| 376 | N | 81.7 | Confident | 90.1 | Very high | 23 Ų | 23 | 31.5 Ų | 31.5 | 12% | 0.123 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -92.4 | 176.3 | 175.5 | -69 | -21 | 0 | 0 | 0 | 111.3 | H374 D395 D396 | H374-N376 WeakPolarHBondContact CB-O 3.29Å; N376-D395 HydrophobicContact CB-CB 3.64Å; N376-D396 HydrophobicContact CB-CB 4.36Å |
| 377 | N | 85.4 | Confident | 89.8 | Confident | 34 Ų | 34 | 29.2 Ų | 29.2 | 18% | 0.182 | 15% | 0.145 | C | C | . | . | trans | -55.8 | 144.2 | 175.7 | -75.2 | -20.8 | 0 | 0 | 0 | 111.8 | D395 R706 T724 | N377-D395 WeakPolarHBondContact O-CB 3.29Å; N377-D395 PolarHBondContact O-N 2.94Å; N377-R706 PolarHBondContact ND2-NH2 2.95Å; N377-T724 WeakPolarHBondContact OD1-CG2 3.46Å | ||
| 378 | M | 90.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.02 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 130.2 | 170.3 | -60.4 | -176.8 | -55.9 | 0 | 0 | 109.6 | H374 T392 S708 T722 G726 L727 | H374-M378 HydrophobicContact CB-CG 3.97Å; H374-M378 VanDerWaalsContact CD2-CG 3.48Å; H374-M378 WeakPolarHBondContact CD2-CG 3.29Å; M378-T392 HydrophobicContact SD-CG2 4.12Å; M378-S708 WeakPolarHBondContact O-CB 3.2Å; M378-S708 PolarHBondContact O-OG 3.4Å; M378-T722 HydrophobicContact CB-CG2 4.04Å; M378-T722 HydrophobicContact CE-CG2 3.71Å; M378-T722 HydrophobicContact SD-CG2 4.25Å; M378-G726 WeakPolarHBondContact CE-O 3.3Å; M378-L727 HydrophobicContact CE-CB 3.87Å; M378-L727 VanDerWaalsContact CE-N 3.31Å; M378-L727 HydrophobicContact SD-CB 4.22Å |
| 379 | A | 90.6 | Very high | 89.6 | Confident | 21 Ų | 21 | 25.6 Ų | 25.6 | 17% | 0.174 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -41.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G393 I420 S708 | A379-G393 PolarHBondContact N-O 3.33Å; A379-I420 WeakPolarHBondContact CB-O 3.35Å; A379-S708 WeakPolarHBondContact O-CB 3.42Å |
| 380 | S | 92.2 | Very high | 89.8 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.014 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 160.9 | -168.1 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | T392 G393 V423 | S380-T392 WeakPolarHBondContact O-CA 3.44Å; S380-G393 PolarHBondContact N-O 3.37Å; S380-G393 PolarHBondContact O-N 2.83Å; S380-G393 VanDerWaalsContact O-N 3.12Å; S380-V423 WeakPolarHBondContact OG-CG2 3.45Å; S380-V423 PolarHBondContact OG-N 3.47Å |
| 381 | L | 95.3 | Very high | 90 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 135.5 | -171.9 | -178.7 | 74.7 | 0 | 0 | 0 | 109.8 | I390 V391 T392 R711 A720 T722 L727 | L381-I390 HydrophobicContact CD1-CG2 3.24Å; L381-I390 HydrophobicContact CG-CG2 4.41Å; L381-V391 WeakPolarHBondContact CA-O 3.37Å; L381-T392 HydrophobicContact CD1-CG2 3.98Å; L381-R711 HydrophobicContact CB-CG 4.43Å; L381-R711 HydrophobicContact CD2-CB 3.75Å; L381-R711 HydrophobicContact CD2-CG 3.97Å; L381-R711 HydrophobicContact CG-CB 4.32Å; L381-R711 HydrophobicContact CG-CG 4.15Å; L381-R711 WeakPolarHBondContact O-CG 3.04Å; L381-A720 HydrophobicContact CD2-CB 3.99Å; L381-A720 WeakPolarHBondContact CD2-O 3.32Å; L381-T722 HydrophobicContact CB-CG2 3.74Å; L381-T722 HydrophobicContact CD1-CG2 4Å; L381-T722 HydrophobicContact CG-CG2 4.33Å; L381-L727 HydrophobicContact CD1-CD1 3.47Å; L381-L727 VanDerWaalsContact CD1-CD1 3.47Å; L381-L727 HydrophobicContact CD1-CD2 4.28Å; L381-L727 HydrophobicContact CD2-CD1 4.37Å |
| 382 | A | 95.3 | Very high | 90.2 | Very high | 6 Ų | 6 | 18 Ų | 18 | 5% | 0.05 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 139.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I390 V391 F425 | A382-I390 WeakPolarHBondContact O-CA 2.88Å; A382-V391 PolarHBondContact N-O 2.95Å; A382-V391 PolarHBondContact O-N 2.9Å; A382-F425 HydrophobicContact CB-CD2 3.87Å; A382-F425 HydrophobicContact CB-CE2 4.45Å |
| 383 | Y | 94.9 | Very high | 90.4 | Very high | 20 Ų | 20 | 16.3 Ų | 16.3 | 8% | 0.078 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 145.4 | 165 | -87.7 | -88.3 | 0 | 0 | 0 | 109.4 | I390 T404 F425 R711 F712 A720 | Y383-I390 HydrophobicContact CD1-CD1 4.35Å; Y383-I390 HydrophobicContact CD1-CG1 3.65Å; Y383-I390 HydrophobicContact CE1-CD1 3.59Å; Y383-I390 HydrophobicContact CE1-CG1 3.39Å; Y383-I390 HydrophobicContact CE2-CD1 4.38Å; Y383-I390 HydrophobicContact CE2-CG1 4.35Å; Y383-I390 HydrophobicContact CG-CG1 4.25Å; Y383-T404 HydrophobicContact CD1-CG2 4.47Å; Y383-T404 HydrophobicContact CE1-CG2 3.94Å; Y383-F425 VanDerWaalsContact C-CD2 3.43Å; Y383-F425 WeakPolarHBondContact O-CD2 2.82Å; Y383-R711 HydrophobicContact CD2-CB 3.78Å; Y383-R711 HydrophobicContact CE2-CB 4.23Å; Y383-F712 WeakPolarHBondContact CD2-O 3.26Å; Y383-A720 HydrophobicContact CE2-CB 3.84Å; Y383-A720 WeakPolarHBondContact OH-CB 3.46Å |
| 384 | S | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -64 | 148.8 | 163.1 | 57.3 | 0 | 0 | 0 | 0 | 109.6 | D386 G387 Q388 Y389 P714 | S384-D386 WeakPolarHBondContact CB-OD1 3.46Å; S384-D386 PolarHBondContact O-N 2.88Å; S384-D386 VanDerWaalsContact O-N 3.13Å; S384-D386 PolarHBondContact OG-OD1 3.32Å; S384-G387 WeakPolarHBondContact O-CA 3.37Å; S384-G387 PolarHBondContact O-N 3.3Å; S384-G387 PolarHBondContact OG-N 2.89Å; S384-Q388 PolarHBondContact OG-N 2.76Å; S384-Y389 PolarHBondContact N-O 3Å; S384-Y389 PolarHBondContact OG-N 3.14Å; S384-Y389 PolarHBondContact OG-O 3.33Å; S384-Y389 VanDerWaalsContact OG-O 3.1Å; S384-P714 WeakPolarHBondContact O-CG 3.05Å | ||
| 385 | P | 89.4 | Confident | 90.8 | Very high | 39 Ų | 39 | 16.3 Ų | 16.3 | 25% | 0.253 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -27.1 | -179.6 | -25.4 | 34.3 | 0 | 0 | 0 | 114.3 | T426 S427 G429 P714 | P385-T426 WeakPolarHBondContact CG-O 3.25Å; P385-S427 WeakPolarHBondContact CG-O 3.14Å; P385-G429 VanDerWaalsContact CD-CA 3.49Å; P385-P714 WeakPolarHBondContact O-CB 3.37Å |
| 386 | D | 85.7 | Confident | 91.2 | Very high | 36 Ų | 36 | 15.6 Ų | 15.6 | 19% | 0.193 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -9.9 | 174.6 | 66.7 | -3.6 | 0 | 0 | 0 | 113.6 | S384 Q388 K852 | S384-D386 WeakPolarHBondContact CB-OD1 3.46Å; S384-D386 PolarHBondContact O-N 2.88Å; S384-D386 VanDerWaalsContact O-N 3.13Å; S384-D386 PolarHBondContact OG-OD1 3.32Å; D386-Q388 HydrophobicContact CB-CG 4.39Å; D386-Q388 PolarHBondContact O-N 2.89Å; D386-Q388 PolarHBondContact OD1-N 2.82Å; D386-Q388 WeakPolarHBondContact OD2-CG 3.23Å; D386-K852 WeakPolarHBondContact O-CB 3.39Å; D386-K852 WeakPolarHBondContact O-CD 3.41Å; D386-K852 WeakPolarHBondContact O-CG 3.49Å |
| 387 | G | 88.3 | Confident | 91.6 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | S | Bend | trans | 66.3 | 17.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | S384 T404 K852 | S384-G387 WeakPolarHBondContact O-CA 3.37Å; S384-G387 PolarHBondContact O-N 3.3Å; S384-G387 PolarHBondContact OG-N 2.89Å; G387-T404 PolarHBondContact O-OG1 3.47Å; G387-K852 WeakPolarHBondContact O-CE 3.32Å; G387-K852 PolarHBondContact O-NZ 3.46Å |
| 388 | Q | 88.9 | Confident | 92 | Very high | 18 Ų | 18 | 15.1 Ų | 15.1 | 8% | 0.084 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -80.1 | -36.9 | 174.3 | -67.2 | -171.8 | 6.8 | 0 | 0 | 112.3 | S384 D386 T404 K852 | S384-Q388 PolarHBondContact OG-N 2.76Å; D386-Q388 HydrophobicContact CB-CG 4.39Å; D386-Q388 PolarHBondContact O-N 2.89Å; D386-Q388 PolarHBondContact OD1-N 2.82Å; D386-Q388 WeakPolarHBondContact OD2-CG 3.23Å; Q388-T404 WeakPolarHBondContact O-CB 3.24Å; Q388-T404 WeakPolarHBondContact O-CG2 3.4Å; Q388-T404 PolarHBondContact O-N 2.93Å; Q388-T404 PolarHBondContact O-OG1 3.39Å; Q388-K852 HydrophobicContact CG-CD 4.24Å; Q388-K852 HydrophobicContact CG-CG 3.7Å; Q388-K852 PolarHBondContact NE2-O 3.07Å |
| 389 | Y | 93.1 | Very high | 92.3 | Very high | 64 Ų | 64 | 15 Ų | 15 | 25% | 0.251 | 8% | 0.078 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 150.8 | -172.9 | -52.2 | -64.1 | 0 | 0 | 0 | 111.5 | S384 W402 N403 F410 | S384-Y389 PolarHBondContact N-O 3Å; S384-Y389 PolarHBondContact OG-N 3.14Å; S384-Y389 PolarHBondContact OG-O 3.33Å; S384-Y389 VanDerWaalsContact OG-O 3.1Å; Y389-W402 CarbonylContact C-O 3.54Å; Y389-W402 VanDerWaalsContact CA-O 3.32Å; Y389-W402 WeakPolarHBondContact CA-O 3.34Å; Y389-N403 HydrophobicContact CD1-CB 4.38Å; Y389-F410 AromaticContact CD1-CE1 3.59Å; Y389-F410 HydrophobicContact CD1-CE1 3.59Å; Y389-F410 AromaticContact CD1-CZ 3.77Å; Y389-F410 HydrophobicContact CD1-CZ 3.77Å; Y389-F410 AromaticContact CE1-CE1 3.81Å; Y389-F410 HydrophobicContact CE1-CE1 3.81Å; Y389-F410 AromaticContact CE1-CZ 3.8Å; Y389-F410 HydrophobicContact CE1-CZ 3.8Å; Y389-F410 HydrophobicContact CG-CZ 4.47Å |
| 390 | I | 95.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135.3 | 168.8 | -66.4 | 168.7 | 0 | 0 | 0 | 107.2 | L11 L381 A382 Y383 T392 W402 T404 A720 L727 V729 | L11-I390 HydrophobicContact CD1-CD1 4.3Å; L381-I390 HydrophobicContact CD1-CG2 3.24Å; L381-I390 HydrophobicContact CG-CG2 4.41Å; A382-I390 WeakPolarHBondContact O-CA 2.88Å; Y383-I390 HydrophobicContact CD1-CD1 4.35Å; Y383-I390 HydrophobicContact CD1-CG1 3.65Å; Y383-I390 HydrophobicContact CE1-CD1 3.59Å; Y383-I390 HydrophobicContact CE1-CG1 3.39Å; Y383-I390 HydrophobicContact CE2-CD1 4.38Å; Y383-I390 HydrophobicContact CE2-CG1 4.35Å; Y383-I390 HydrophobicContact CG-CG1 4.25Å; I390-T392 HydrophobicContact CG2-CG2 4.29Å; I390-W402 HydrophobicContact CB-CB 4.36Å; I390-W402 PolarHBondContact N-O 2.81Å; I390-W402 PolarHBondContact O-N 2.91Å; I390-T404 HydrophobicContact CD1-CG2 3.75Å; I390-T404 HydrophobicContact CG1-CG2 3.67Å; I390-A720 HydrophobicContact CD1-CB 4.45Å; I390-L727 HydrophobicContact CB-CD2 4.41Å; I390-L727 HydrophobicContact CD1-CD2 4.19Å; I390-L727 HydrophobicContact CG2-CD2 3.65Å; I390-V729 HydrophobicContact CD1-CG2 4.49Å |
| 391 | V | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 135.7 | 172.4 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | L381 A382 V399 K400 V401 V423 F425 I432 | L381-V391 WeakPolarHBondContact CA-O 3.37Å; A382-V391 PolarHBondContact N-O 2.95Å; A382-V391 PolarHBondContact O-N 2.9Å; V391-V399 HydrophobicContact CG1-CG1 3.36Å; V391-K400 WeakPolarHBondContact CA-O 3.16Å; V391-V401 HydrophobicContact CG2-CB 4.38Å; V391-V401 HydrophobicContact CG2-CG1 3.93Å; V391-V401 HydrophobicContact CG2-CG2 4.07Å; V391-V423 HydrophobicContact CB-CG1 4.12Å; V391-V423 HydrophobicContact CG1-CG1 3.59Å; V391-F425 HydrophobicContact CB-CE2 3.89Å; V391-F425 HydrophobicContact CB-CZ 4.33Å; V391-F425 HydrophobicContact CG2-CD2 4.32Å; V391-F425 HydrophobicContact CG2-CE1 4.28Å; V391-F425 HydrophobicContact CG2-CE2 3.22Å; V391-F425 HydrophobicContact CG2-CZ 3.2Å; V391-I432 HydrophobicContact CB-CD1 4.49Å; V391-I432 HydrophobicContact CG1-CD1 4.29Å; V391-I432 HydrophobicContact CG1-CG2 4.04Å; V391-I432 HydrophobicContact CG2-CD1 3.42Å; V391-I432 VanDerWaalsContact CG2-CD1 3.42Å; V391-I432 HydrophobicContact CG2-CG1 3.98Å |
| 392 | T | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 139.6 | 175.2 | 57.5 | 0 | 0 | 0 | 0 | 110.6 | H374 M378 S380 L381 I390 V399 K400 W402 T722 L727 | H374-T392 PolarHBondContact NE2-OG1 2.84Å; M378-T392 HydrophobicContact SD-CG2 4.12Å; S380-T392 WeakPolarHBondContact O-CA 3.44Å; L381-T392 HydrophobicContact CD1-CG2 3.98Å; I390-T392 HydrophobicContact CG2-CG2 4.29Å; T392-V399 WeakPolarHBondContact O-CA 3.41Å; T392-K400 PolarHBondContact N-O 2.85Å; T392-K400 PolarHBondContact O-N 2.76Å; T392-W402 PolarHBondContact OG1-NE1 3.49Å; T392-T722 HydrophobicContact CG2-CG2 4.3Å; T392-L727 HydrophobicContact CG2-CD2 3.93Å |
| 393 | G | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 124.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | A379 S380 | A379-G393 PolarHBondContact N-O 3.33Å; S380-G393 PolarHBondContact N-O 3.37Å; S380-G393 PolarHBondContact O-N 2.83Å; S380-G393 VanDerWaalsContact O-N 3.12Å |
| 394 | G | 91.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 157.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D396 G397 K398 I420 | G394-D396 WeakPolarHBondContact CA-OD1 3.34Å; G394-D396 PolarHBondContact O-N 3.07Å; G394-G397 PolarHBondContact O-N 3.48Å; G394-K398 PolarHBondContact N-O 2.84Å; G394-K398 VanDerWaalsContact N-O 3.08Å; G394-I420 PolarHBondContact O-N 2.86Å; G394-I420 VanDerWaalsContact O-N 3.08Å |
| 395 | D | 89.6 | Confident | 91.8 | Very high | 23 Ų | 23 | 20.3 Ų | 20.3 | 12% | 0.123 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -13.1 | 166.9 | -74.9 | -12.2 | 0 | 0 | 0 | 111.6 | N376 N377 G397 S419 | N376-D395 HydrophobicContact CB-CB 3.64Å; N377-D395 WeakPolarHBondContact O-CB 3.29Å; N377-D395 PolarHBondContact O-N 2.94Å; D395-G397 PolarHBondContact O-N 3.37Å; D395-S419 PolarHBondContact O-OG 2.78Å |
| 396 | D | 87.4 | Confident | 91.6 | Very high | 37 Ų | 37 | 19.3 Ų | 19.3 | 20% | 0.198 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 0.9 | 173.3 | 65.2 | -6.6 | 0 | 0 | 0 | 114 | H374 N376 G394 K398 | H374-D396 IonicContact CE1-OD1 3.12Å; H374-D396 IonicContact CG-OD2 3Å; H374-D396 IonicContact ND1-OD1 3.16Å; H374-D396 PolarHBondContact ND1-OD1 3.07Å; H374-D396 VanDerWaalsContact ND1-OD1 3.16Å; H374-D396 IonicContact ND1-OD2 3.77Å; H374-D396 PolarHBondContact ND1-OD2 2.86Å; N376-D396 HydrophobicContact CB-CB 4.36Å; G394-D396 WeakPolarHBondContact CA-OD1 3.34Å; G394-D396 PolarHBondContact O-N 3.07Å; D396-K398 PolarHBondContact O-N 3.04Å; D396-K398 WeakPolarHBondContact OD1-CB 3.35Å; D396-K398 PolarHBondContact OD1-N 3.31Å |
| 397 | G | 90.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 73.2 | 13.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G394 D395 H416 S418 I420 | G394-G397 PolarHBondContact O-N 3.48Å; D395-G397 PolarHBondContact O-N 3.37Å; G397-H416 WeakPolarHBondContact O-CB 3.49Å; G397-S418 VanDerWaalsContact CA-O 3.23Å; G397-S418 WeakPolarHBondContact CA-O 3.35Å; G397-I420 VanDerWaalsContact C-CD1 3.4Å |
| 398 | K | 93.6 | Very high | 91.8 | Very high | 46 Ų | 46 | 18.8 Ų | 18.8 | 20% | 0.2 | 10% | 0.097 | C | C | . | . | trans | -104.7 | 136.7 | 177.6 | -58.5 | -176 | 178.6 | 173.9 | 0 | 111.3 | H374 G394 D396 T412 F413 T414 I420 | H374-K398 PolarHBondContact CE1-O 2.91Å; H374-K398 VanDerWaalsContact CE1-O 3.3Å; G394-K398 PolarHBondContact N-O 2.84Å; G394-K398 VanDerWaalsContact N-O 3.08Å; D396-K398 PolarHBondContact O-N 3.04Å; D396-K398 WeakPolarHBondContact OD1-CB 3.35Å; D396-K398 PolarHBondContact OD1-N 3.31Å; K398-T412 HydrophobicContact CB-CG2 4.08Å; K398-T412 HydrophobicContact CD-CG2 4Å; K398-T412 HydrophobicContact CG-CG2 4.39Å; K398-F413 WeakPolarHBondContact CA-O 3.33Å; K398-T414 HydrophobicContact CD-CG2 4.09Å; K398-T414 HydrophobicContact CG-CG2 4.1Å; K398-I420 WeakPolarHBondContact O-CD1 3.32Å | ||
| 399 | V | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 121.3 | 167 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | V391 T392 T412 F413 I420 I432 Y444 | V391-V399 HydrophobicContact CG1-CG1 3.36Å; T392-V399 WeakPolarHBondContact O-CA 3.41Å; V399-T412 CarbonylContact O-C 3.49Å; V399-T412 WeakPolarHBondContact O-CA 3.19Å; V399-F413 HydrophobicContact CB-CB 4.21Å; V399-F413 HydrophobicContact CB-CD2 4.16Å; V399-F413 HydrophobicContact CG1-CD2 4.18Å; V399-F413 PolarHBondContact N-O 2.93Å; V399-F413 PolarHBondContact O-N 2.77Å; V399-I420 HydrophobicContact CB-CD1 4.41Å; V399-I420 HydrophobicContact CG2-CD1 3.46Å; V399-I420 VanDerWaalsContact CG2-CD1 3.46Å; V399-I420 HydrophobicContact CG2-CG1 4.28Å; V399-I432 HydrophobicContact CG1-CG2 4.45Å; V399-Y444 HydrophobicContact CG2-CE2 4.17Å |
| 400 | K | 95.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 1% | 0.013 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 137 | -179.8 | -71.9 | -178.7 | 173.9 | -81.7 | 0 | 110.7 | Q372 V391 T392 W402 T412 | Q372-K400 VanDerWaalsContact O-CE 3.31Å; Q372-K400 WeakPolarHBondContact O-CE 3.35Å; Q372-K400 PolarHBondContact O-NZ 2.97Å; V391-K400 WeakPolarHBondContact CA-O 3.16Å; T392-K400 PolarHBondContact N-O 2.85Å; T392-K400 PolarHBondContact O-N 2.76Å; K400-W402 HydrophobicContact CB-CZ2 3.9Å; K400-W402 HydrophobicContact CD-CH2 4.26Å; K400-W402 HydrophobicContact CD-CZ2 3.66Å; K400-W402 HydrophobicContact CG-CZ2 4.41Å; K400-T412 HydrophobicContact CG-CG2 3.9Å; K400-T412 PolarHBondContact NZ-OG1 2.83Å |
| 401 | V | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 118.4 | 177.5 | -165.2 | 0 | 0 | 0 | 0 | 109.2 | V391 C409 F410 V411 F413 I432 L446 | V391-V401 HydrophobicContact CG2-CB 4.38Å; V391-V401 HydrophobicContact CG2-CG1 3.93Å; V391-V401 HydrophobicContact CG2-CG2 4.07Å; V401-C409 WeakPolarHBondContact O-CA 3.49Å; V401-F410 HydrophobicContact CB-CE1 4.03Å; V401-F410 HydrophobicContact CB-CZ 4.03Å; V401-F410 HydrophobicContact CG1-CE1 3.57Å; V401-F410 HydrophobicContact CG1-CE2 4.49Å; V401-F410 HydrophobicContact CG1-CZ 3.49Å; V401-F410 VanDerWaalsContact CG1-CZ 3.49Å; V401-F410 WeakPolarHBondContact O-CD1 3.36Å; V401-F410 PolarHBondContact O-N 2.87Å; V401-F410 VanDerWaalsContact O-N 3.16Å; V401-V411 HydrophobicContact CB-CB 4.29Å; V401-V411 HydrophobicContact CG2-CB 4.18Å; V401-V411 HydrophobicContact CG2-CG1 4.4Å; V401-V411 PolarHBondContact N-O 2.99Å; V401-F413 HydrophobicContact CG2-CE2 3.99Å; V401-I432 HydrophobicContact CG2-CD1 3.78Å; V401-L446 HydrophobicContact CG1-CD2 4.47Å; V401-L446 HydrophobicContact CG2-CD2 4.23Å |
| 402 | W | 94.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.015 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 139.4 | -178.6 | -50.1 | 87 | 0 | 0 | 0 | 109.6 | G12 Y389 I390 T392 K400 L408 C409 | G12-W402 VanDerWaalsContact CA-CH2 3.45Å; Y389-W402 CarbonylContact C-O 3.54Å; Y389-W402 VanDerWaalsContact CA-O 3.32Å; Y389-W402 WeakPolarHBondContact CA-O 3.34Å; I390-W402 HydrophobicContact CB-CB 4.36Å; I390-W402 PolarHBondContact N-O 2.81Å; I390-W402 PolarHBondContact O-N 2.91Å; T392-W402 PolarHBondContact OG1-NE1 3.49Å; K400-W402 HydrophobicContact CB-CZ2 3.9Å; K400-W402 HydrophobicContact CD-CH2 4.26Å; K400-W402 HydrophobicContact CD-CZ2 3.66Å; K400-W402 HydrophobicContact CG-CZ2 4.41Å; W402-L408 WeakPolarHBondContact CA-O 3.45Å; W402-C409 HydrophobicContact CD2-CB 4Å; W402-C409 HydrophobicContact CE3-CB 3.55Å; W402-C409 HydrophobicContact CH2-CB 3.72Å; W402-C409 HydrophobicContact CZ2-CB 4.18Å; W402-C409 HydrophobicContact CZ3-CB 3.41Å; W402-C409 VanDerWaalsContact CZ3-CB 3.41Å |
| 403 | N | 91.9 | Very high | 91.8 | Very high | 46 Ų | 46 | 23.2 Ų | 23.2 | 25% | 0.246 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 131.5 | 168.3 | -179.8 | -19 | 0 | 0 | 0 | 109.3 | Y389 N405 S406 G407 L408 F410 | Y389-N403 HydrophobicContact CD1-CB 4.38Å; N403-N405 VanDerWaalsContact C-N 3.33Å; N403-N405 PolarHBondContact O-N 3.19Å; N403-N405 PolarHBondContact OD1-N 2.84Å; N403-S406 VanDerWaalsContact CB-OG 3.29Å; N403-S406 WeakPolarHBondContact CB-OG 3.48Å; N403-G407 WeakPolarHBondContact O-CA 3.23Å; N403-G407 PolarHBondContact O-N 2.86Å; N403-L408 PolarHBondContact N-O 2.89Å; N403-F410 HydrophobicContact CB-CD1 4.32Å; N403-F410 HydrophobicContact CB-CE1 4.42Å |
| 404 | T | 87.9 | Confident | 91.8 | Very high | 37 Ų | 37 | 27.6 Ų | 27.6 | 23% | 0.227 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -30.5 | -178.3 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | Y383 G387 Q388 I390 K852 | Y383-T404 HydrophobicContact CD1-CG2 4.47Å; Y383-T404 HydrophobicContact CE1-CG2 3.94Å; G387-T404 PolarHBondContact O-OG1 3.47Å; Q388-T404 WeakPolarHBondContact O-CB 3.24Å; Q388-T404 WeakPolarHBondContact O-CG2 3.4Å; Q388-T404 PolarHBondContact O-N 2.93Å; Q388-T404 PolarHBondContact O-OG1 3.39Å; I390-T404 HydrophobicContact CD1-CG2 3.75Å; I390-T404 HydrophobicContact CG1-CG2 3.67Å; T404-K852 PolarHBondContact OG1-NZ 2.82Å |
| 405 | N | 84.8 | Confident | 91.9 | Very high | 72 Ų | 72 | 31 Ų | 31 | 39% | 0.385 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -48 | -175.8 | -175.9 | 85.4 | 0 | 0 | 0 | 112 | N403 R856 | N403-N405 VanDerWaalsContact C-N 3.33Å; N403-N405 PolarHBondContact O-N 3.19Å; N403-N405 PolarHBondContact OD1-N 2.84Å; N405-R856 VanDerWaalsContact CG-NH1 3.34Å; N405-R856 PolarHBondContact ND2-NH2 2.84Å; N405-R856 VanDerWaalsContact ND2-NH2 3.18Å; N405-R856 PolarHBondContact OD1-NH1 3.39Å |
| 406 | S | 87.2 | Confident | 92.2 | Very high | 17 Ų | 17 | 30.5 Ų | 30.5 | 12% | 0.119 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -24.9 | 176.8 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | N45 T46 S47 N403 L408 | N45-S406 WeakPolarHBondContact O-CB 3.27Å; T46-S406 CarbonylContact C-O 3.5Å; S47-S406 PolarHBondContact N-O 3.16Å; S47-S406 PolarHBondContact OG-O 2.94Å; S47-S406 VanDerWaalsContact OG-O 3.07Å; N403-S406 VanDerWaalsContact CB-OG 3.29Å; N403-S406 WeakPolarHBondContact CB-OG 3.48Å; S406-L408 PolarHBondContact O-N 2.9Å |
| 407 | G | 85.9 | Confident | 92.4 | Very high | 5 Ų | 5 | 34.7 Ų | 34.7 | 5% | 0.052 | 19% | 0.191 | C | C | . | . | trans | 65.2 | 21.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L11 S47 N403 | L11-G407 WeakPolarHBondContact CD2-O 3.43Å; S47-G407 VanDerWaalsContact OG-C 3.25Å; S47-G407 WeakPolarHBondContact OG-CA 3.44Å; S47-G407 PolarHBondContact OG-O 3.49Å; N403-G407 WeakPolarHBondContact O-CA 3.23Å; N403-G407 PolarHBondContact O-N 2.86Å | ||
| 408 | L | 91.1 | Very high | 92.5 | Very high | 20 Ų | 20 | 36.7 Ų | 36.7 | 11% | 0.105 | 21% | 0.205 | C | C | . | . | trans | -108.2 | 148.7 | 178.7 | -59.4 | 179 | 0 | 0 | 0 | 110.9 | F40 N45 F369 Q371 W402 N403 S406 | F40-L408 HydrophobicContact CD1-CD2 3.89Å; F40-L408 HydrophobicContact CE1-CD2 4.01Å; N45-L408 HydrophobicContact CB-CD1 4.28Å; F369-L408 HydrophobicContact CE2-CD1 4.09Å; F369-L408 HydrophobicContact CE2-CD2 3.64Å; F369-L408 HydrophobicContact CZ-CD2 3.93Å; Q371-L408 HydrophobicContact CG-CD2 4.33Å; W402-L408 WeakPolarHBondContact CA-O 3.45Å; N403-L408 PolarHBondContact N-O 2.89Å; S406-L408 PolarHBondContact O-N 2.9Å | ||
| 409 | C | 93.1 | Very high | 92.4 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 124.3 | 169.9 | 170.1 | 0 | 0 | 0 | 0 | 108.7 | Q371 V401 W402 V411 T412 | Q371-C409 PolarHBondContact NE2-O 3.17Å; Q371-C409 VanDerWaalsContact OE1-N 3.1Å; Q371-C409 PolarHBondContact OE1-O 2.86Å; V401-C409 WeakPolarHBondContact O-CA 3.49Å; W402-C409 HydrophobicContact CD2-CB 4Å; W402-C409 HydrophobicContact CE3-CB 3.55Å; W402-C409 HydrophobicContact CH2-CB 3.72Å; W402-C409 HydrophobicContact CZ2-CB 4.18Å; W402-C409 HydrophobicContact CZ3-CB 3.41Å; W402-C409 VanDerWaalsContact CZ3-CB 3.41Å; C409-V411 PolarHBondContact SG-O 2.77Å; C409-T412 PolarHBondContact SG-OG1 2.57Å |
| 410 | F | 92 | Very high | 92.4 | Very high | 87 Ų | 87 | 35.6 Ų | 35.6 | 38% | 0.382 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -21.7 | 177.5 | 66.1 | -81.8 | 0 | 0 | 0 | 112.7 | Y389 V401 N403 Y449 | Y389-F410 AromaticContact CD1-CE1 3.59Å; Y389-F410 HydrophobicContact CD1-CE1 3.59Å; Y389-F410 AromaticContact CD1-CZ 3.77Å; Y389-F410 HydrophobicContact CD1-CZ 3.77Å; Y389-F410 AromaticContact CE1-CE1 3.81Å; Y389-F410 HydrophobicContact CE1-CE1 3.81Å; Y389-F410 AromaticContact CE1-CZ 3.8Å; Y389-F410 HydrophobicContact CE1-CZ 3.8Å; Y389-F410 HydrophobicContact CG-CZ 4.47Å; V401-F410 HydrophobicContact CB-CE1 4.03Å; V401-F410 HydrophobicContact CB-CZ 4.03Å; V401-F410 HydrophobicContact CG1-CE1 3.57Å; V401-F410 HydrophobicContact CG1-CE2 4.49Å; V401-F410 HydrophobicContact CG1-CZ 3.49Å; V401-F410 VanDerWaalsContact CG1-CZ 3.49Å; V401-F410 WeakPolarHBondContact O-CD1 3.36Å; V401-F410 PolarHBondContact O-N 2.87Å; V401-F410 VanDerWaalsContact O-N 3.16Å; N403-F410 HydrophobicContact CB-CD1 4.32Å; N403-F410 HydrophobicContact CB-CE1 4.42Å; F410-Y449 HydrophobicContact CE2-CE1 4.02Å |
| 411 | V | 93.8 | Very high | 92.3 | Very high | 17 Ų | 17 | 37 Ų | 37 | 10% | 0.103 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 135.4 | 178.3 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | V401 C409 F413 Y449 | V401-V411 HydrophobicContact CB-CB 4.29Å; V401-V411 HydrophobicContact CG2-CB 4.18Å; V401-V411 HydrophobicContact CG2-CG1 4.4Å; V401-V411 PolarHBondContact N-O 2.99Å; C409-V411 PolarHBondContact SG-O 2.77Å; V411-F413 HydrophobicContact CG1-CD1 4.13Å; V411-F413 HydrophobicContact CG1-CD2 4.12Å; V411-F413 HydrophobicContact CG1-CE1 3.66Å; V411-F413 HydrophobicContact CG1-CE2 3.66Å; V411-F413 HydrophobicContact CG1-CG 4.35Å; V411-F413 HydrophobicContact CG1-CZ 3.42Å; V411-F413 VanDerWaalsContact CG1-CZ 3.42Å; V411-Y449 HydrophobicContact CB-CD1 4.35Å; V411-Y449 HydrophobicContact CG1-CD1 4.06Å; V411-Y449 HydrophobicContact CG2-CD1 3.41Å; V411-Y449 VanDerWaalsContact CG2-CD1 3.41Å; V411-Y449 HydrophobicContact CG2-CE1 3.34Å; V411-Y449 HydrophobicContact CG2-CG 4.07Å |
| 412 | T | 94.8 | Very high | 92.3 | Very high | 53 Ų | 53 | 38.2 Ų | 38.2 | 33% | 0.325 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 119.7 | 170.3 | -60.3 | 0 | 0 | 0 | 0 | 108.8 | K398 V399 K400 C409 T414 | K398-T412 HydrophobicContact CB-CG2 4.08Å; K398-T412 HydrophobicContact CD-CG2 4Å; K398-T412 HydrophobicContact CG-CG2 4.39Å; V399-T412 CarbonylContact O-C 3.49Å; V399-T412 WeakPolarHBondContact O-CA 3.19Å; K400-T412 HydrophobicContact CG-CG2 3.9Å; K400-T412 PolarHBondContact NZ-OG1 2.83Å; C409-T412 PolarHBondContact SG-OG1 2.57Å; T412-T414 HydrophobicContact CG2-CG2 3.93Å |
| 413 | F | 96.2 | Very high | 92.4 | Very high | 11 Ų | 11 | 38.1 Ų | 38.1 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 129.5 | 171.1 | -54.8 | -70.1 | 0 | 0 | 0 | 109.6 | K398 V399 V401 V411 I432 Y444 Y449 | K398-F413 WeakPolarHBondContact CA-O 3.33Å; V399-F413 HydrophobicContact CB-CB 4.21Å; V399-F413 HydrophobicContact CB-CD2 4.16Å; V399-F413 HydrophobicContact CG1-CD2 4.18Å; V399-F413 PolarHBondContact N-O 2.93Å; V399-F413 PolarHBondContact O-N 2.77Å; V401-F413 HydrophobicContact CG2-CE2 3.99Å; V411-F413 HydrophobicContact CG1-CD1 4.13Å; V411-F413 HydrophobicContact CG1-CD2 4.12Å; V411-F413 HydrophobicContact CG1-CE1 3.66Å; V411-F413 HydrophobicContact CG1-CE2 3.66Å; V411-F413 HydrophobicContact CG1-CG 4.35Å; V411-F413 HydrophobicContact CG1-CZ 3.42Å; V411-F413 VanDerWaalsContact CG1-CZ 3.42Å; F413-I432 HydrophobicContact CE2-CD1 4.36Å; F413-Y444 HydrophobicContact CB-CD1 4.2Å; F413-Y444 HydrophobicContact CB-CE1 3.77Å; F413-Y444 HydrophobicContact CB-CE2 4.48Å; F413-Y444 AromaticContact CD1-CD1 3.66Å; F413-Y444 HydrophobicContact CD1-CD1 3.66Å; F413-Y444 AromaticContact CD1-CE1 3.99Å; F413-Y444 HydrophobicContact CD1-CE1 3.99Å; F413-Y444 HydrophobicContact CD1-CG 4.29Å; F413-Y444 HydrophobicContact CD2-CD1 4.07Å; F413-Y444 HydrophobicContact CD2-CD2 4.19Å; F413-Y444 HydrophobicContact CD2-CE1 4.44Å; F413-Y444 AromaticContact CD2-CG 3.95Å; F413-Y444 HydrophobicContact CD2-CG 3.95Å; F413-Y444 AromaticContact CE1-CD1 3.95Å; F413-Y444 HydrophobicContact CE1-CD1 3.95Å; F413-Y444 HydrophobicContact CE1-CG 4.35Å; F413-Y444 HydrophobicContact CE2-CD1 4.33Å; F413-Y444 HydrophobicContact CE2-CD2 4.49Å; F413-Y444 HydrophobicContact CE2-CG 4.01Å; F413-Y444 AromaticContact CG-CD1 3.71Å; F413-Y444 HydrophobicContact CG-CD1 3.71Å; F413-Y444 AromaticContact CG-CE1 3.83Å; F413-Y444 HydrophobicContact CG-CE1 3.83Å; F413-Y444 HydrophobicContact CG-CG 4.09Å; F413-Y444 HydrophobicContact CZ-CD1 4.27Å; F413-Y444 HydrophobicContact CZ-CG 4.2Å; F413-Y449 HydrophobicContact CZ-CD1 4.44Å |
| 414 | T | 94.7 | Very high | 92.5 | Very high | 91 Ų | 91 | 37.6 Ų | 37.6 | 56% | 0.558 | 22% | 0.217 | S | C | * | . | trans | -121.6 | 25.4 | -173.6 | 60.7 | 0 | 0 | 0 | 0 | 112.6 | K398 T412 | K398-T414 HydrophobicContact CD-CG2 4.09Å; K398-T414 HydrophobicContact CG-CG2 4.1Å; T412-T414 HydrophobicContact CG2-CG2 3.93Å | ||
| 415 | E | 94 | Very high | 92.9 | Very high | 73 Ų | 73 | 36.6 Ų | 36.6 | 34% | 0.341 | 21% | 0.209 | S | C | . | . | trans | -83.2 | -22.4 | -174.1 | -62.6 | -179.4 | -172.1 | 0 | 0 | 113.6 | R442 Y444 N451 | E415-R442 VanDerWaalsContact O-CZ 3.26Å; E415-R442 PolarHBondContact O-NH1 3.23Å; E415-R442 PolarHBondContact O-NH2 2.84Å; E415-R442 IonicContact OE2-NE 2.72Å; E415-Y444 HydrophobicContact CG-CE1 4.46Å; E415-N451 WeakPolarHBondContact OE1-CB 3.33Å; E415-N451 WeakPolarHBondContact OE2-CB 3.48Å; E415-N451 VanDerWaalsContact OE2-CG 3.25Å; E415-N451 PolarHBondContact OE2-ND2 3.48Å | ||
| 416 | H | 94.9 | Very high | 93.3 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | trans | -73.5 | 136.8 | 173.4 | -77.6 | -74.4 | 0 | 0 | 0 | 110.5 | G397 I420 S434 S436 D438 T440 R442 Y444 | G397-H416 WeakPolarHBondContact O-CB 3.49Å; H416-I420 HydrophobicContact CB-CG1 4.27Å; H416-S434 PolarHBondContact NE2-OG 3.48Å; H416-S436 VanDerWaalsContact CE1-CB 3.44Å; H416-S436 WeakPolarHBondContact CE1-CB 3.37Å; H416-S436 WeakPolarHBondContact ND1-CB 3.5Å; H416-D438 IonicContact CE1-OD1 2.79Å; H416-D438 IonicContact CE1-OD2 2.9Å; H416-D438 IonicContact CG-OD2 3.9Å; H416-D438 IonicContact ND1-OD1 2.69Å; H416-D438 PolarHBondContact ND1-OD1 2.83Å; H416-D438 IonicContact ND1-OD2 3.51Å; H416-D438 PolarHBondContact ND1-OD2 3.32Å; H416-T440 PolarHBondContact CE1-OG1 3.3Å; H416-R442 VanDerWaalsContact CA-NH1 3.31Å; H416-R442 PolarHBondContact CE1-NH1 2.78Å; H416-R442 VanDerWaalsContact CE1-NH1 3.3Å; H416-R442 VanDerWaalsContact CG-NH1 3.27Å; H416-R442 PolarHBondContact ND1-NH1 2.88Å; H416-Y444 PolarHBondContact CD2-OH 2.99Å | ||
| 417 | T | 93.1 | Very high | 93.2 | Very high | 125 Ų | 125 | 35.6 Ų | 35.6 | 77% | 0.767 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -92.5 | -18.9 | 179.6 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | D438 | T417-D438 PolarHBondContact N-OD2 2.71Å; T417-D438 WeakPolarHBondContact OG1-CB 3.5Å |
| 418 | S | 92 | Very high | 93.3 | Very high | 43 Ų | 43 | 38.7 Ų | 38.7 | 30% | 0.301 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -130.2 | 172.5 | -177.9 | -167.1 | 0 | 0 | 0 | 0 | 111.2 | G397 I420 S436 | G397-S418 VanDerWaalsContact CA-O 3.23Å; G397-S418 WeakPolarHBondContact CA-O 3.35Å; S418-I420 PolarHBondContact O-N 3.07Å; S418-S436 PolarHBondContact O-OG 2.83Å; S418-S436 VanDerWaalsContact O-OG 3.04Å |
| 419 | S | 92.2 | Very high | 93.1 | Very high | 23 Ų | 23 | 38.2 Ų | 38.2 | 16% | 0.161 | 23% | 0.229 | C | C | . | . | trans | -54.6 | 135.6 | -176.8 | -55.3 | 0 | 0 | 0 | 0 | 112.3 | D395 S436 L437 | D395-S419 PolarHBondContact O-OG 2.78Å; S419-S436 WeakPolarHBondContact O-CA 3.3Å; S419-S436 PolarHBondContact O-OG 3.27Å; S419-L437 PolarHBondContact O-N 2.84Å | ||
| 420 | I | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 126.7 | 177.8 | -66.2 | 148.1 | 0 | 0 | 0 | 108.3 | A379 G394 G397 K398 V399 H416 S418 V423 A435 | A379-I420 WeakPolarHBondContact CB-O 3.35Å; G394-I420 PolarHBondContact O-N 2.86Å; G394-I420 VanDerWaalsContact O-N 3.08Å; G397-I420 VanDerWaalsContact C-CD1 3.4Å; K398-I420 WeakPolarHBondContact O-CD1 3.32Å; V399-I420 HydrophobicContact CB-CD1 4.41Å; V399-I420 HydrophobicContact CG2-CD1 3.46Å; V399-I420 VanDerWaalsContact CG2-CD1 3.46Å; V399-I420 HydrophobicContact CG2-CG1 4.28Å; H416-I420 HydrophobicContact CB-CG1 4.27Å; S418-I420 PolarHBondContact O-N 3.07Å; I420-V423 HydrophobicContact CG2-CG2 3.62Å; I420-A435 CarbonylContact C-O 3.52Å; I420-A435 WeakPolarHBondContact CA-O 3.18Å; I420-A435 WeakPolarHBondContact CG2-O 3.43Å |
| 421 | T | 93.9 | Very high | 93.1 | Very high | 32 Ų | 32 | 39.8 Ų | 39.8 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -42 | -176.5 | 53.1 | 0 | 0 | 0 | 0 | 112 | A435 L437 F463 S464 | T421-A435 PolarHBondContact N-O 3.33Å; T421-A435 PolarHBondContact OG1-O 3.07Å; T421-L437 HydrophobicContact CG2-CD1 4.43Å; T421-L437 HydrophobicContact CG2-CD2 3.45Å; T421-L437 VanDerWaalsContact CG2-CD2 3.45Å; T421-L437 HydrophobicContact CG2-CG 3.6Å; T421-F463 WeakPolarHBondContact CB-O 3.4Å; T421-F463 WeakPolarHBondContact CG2-O 3.41Å; T421-F463 PolarHBondContact OG1-O 2.75Å; T421-S464 WeakPolarHBondContact CB-O 3.39Å |
| 422 | N | 94.9 | Very high | 93.2 | Very high | 27 Ų | 27 | 39 Ų | 39 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 151.2 | -178 | -153.8 | -11 | 0 | 0 | 0 | 112 | S434 A435 L466 | N422-S434 WeakPolarHBondContact O-CA 3.49Å; N422-A435 PolarHBondContact O-N 3.24Å; N422-L466 HydrophobicContact CB-CB 3.98Å |
| 423 | V | 96.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 138.5 | 178.5 | 178.5 | 0 | 0 | 0 | 0 | 108.6 | S380 V391 I420 I432 V433 | S380-V423 WeakPolarHBondContact OG-CG2 3.45Å; S380-V423 PolarHBondContact OG-N 3.47Å; V391-V423 HydrophobicContact CB-CG1 4.12Å; V391-V423 HydrophobicContact CG1-CG1 3.59Å; I420-V423 HydrophobicContact CG2-CG2 3.62Å; V423-I432 HydrophobicContact CG1-CG2 3.72Å; V423-V433 WeakPolarHBondContact CA-O 3.42Å |
| 424 | T | 95.3 | Very high | 93.3 | Very high | 36 Ų | 36 | 35.9 Ų | 35.9 | 22% | 0.221 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 154 | 174.7 | -166.7 | 0 | 0 | 0 | 0 | 111.4 | V433 L466 V468 | T424-V433 HydrophobicContact CG2-CB 4.24Å; T424-V433 PolarHBondContact N-O 3.5Å; T424-V433 PolarHBondContact O-N 2.8Å; T424-L466 HydrophobicContact CG2-CD2 3.79Å; T424-L466 HydrophobicContact CG2-CG 4.11Å; T424-V468 HydrophobicContact CG2-CB 3.95Å; T424-V468 HydrophobicContact CG2-CG2 3.4Å |
| 425 | F | 94.9 | Very high | 93.4 | Very high | 15 Ų | 15 | 31.6 Ų | 31.6 | 7% | 0.066 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 154.9 | 167.1 | -86 | -87.2 | 0 | 0 | 0 | 110.9 | A382 Y383 V391 I432 L446 | A382-F425 HydrophobicContact CB-CD2 3.87Å; A382-F425 HydrophobicContact CB-CE2 4.45Å; Y383-F425 VanDerWaalsContact C-CD2 3.43Å; Y383-F425 WeakPolarHBondContact O-CD2 2.82Å; V391-F425 HydrophobicContact CB-CE2 3.89Å; V391-F425 HydrophobicContact CB-CZ 4.33Å; V391-F425 HydrophobicContact CG2-CD2 4.32Å; V391-F425 HydrophobicContact CG2-CE1 4.28Å; V391-F425 HydrophobicContact CG2-CE2 3.22Å; V391-F425 HydrophobicContact CG2-CZ 3.2Å; F425-I432 HydrophobicContact CD1-CG1 3.97Å; F425-I432 HydrophobicContact CE1-CD1 4.18Å; F425-I432 HydrophobicContact CE1-CG1 3.57Å; F425-I432 HydrophobicContact CZ-CD1 4.17Å; F425-I432 HydrophobicContact CZ-CG1 3.91Å; F425-L446 HydrophobicContact CE1-CD1 3.72Å; F425-L446 HydrophobicContact CZ-CD1 4.39Å |
| 426 | T | 93.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | trans | -72.3 | 157.6 | 158 | 58 | 0 | 0 | 0 | 0 | 110.3 | P385 S428 G429 V431 V468 | P385-T426 WeakPolarHBondContact CG-O 3.25Å; T426-S428 PolarHBondContact O-N 3.47Å; T426-S428 PolarHBondContact OG1-OG 3.4Å; T426-G429 PolarHBondContact O-N 2.83Å; T426-V431 HydrophobicContact CG2-CB 3.69Å; T426-V431 HydrophobicContact CG2-CG1 3.91Å; T426-V431 PolarHBondContact N-O 3.46Å; T426-V431 PolarHBondContact OG1-O 3.4Å; T426-V468 HydrophobicContact CG2-CG1 4.16Å | ||
| 427 | S | 86.9 | Confident | 93.4 | Very high | 64 Ų | 64 | 29.7 Ų | 29.7 | 45% | 0.448 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.9 | 173.6 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | P385 G429 V470 | P385-S427 WeakPolarHBondContact CG-O 3.14Å; S427-G429 VanDerWaalsContact C-N 3.32Å; S427-V470 WeakPolarHBondContact CB-O 3.32Å; S427-V470 PolarHBondContact OG-O 3.25Å |
| 428 | S | 86.7 | Confident | 93.4 | Very high | 69 Ų | 69 | 25.6 Ų | 25.6 | 48% | 0.483 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -23 | 174.9 | 60.6 | 0 | 0 | 0 | 0 | 113.8 | T426 F430 | T426-S428 PolarHBondContact O-N 3.47Å; T426-S428 PolarHBondContact OG1-OG 3.4Å; S428-F430 VanDerWaalsContact C-N 3.3Å; S428-F430 WeakPolarHBondContact O-CD2 3.46Å; S428-F430 PolarHBondContact O-N 2.89Å |
| 429 | G | 87.1 | Confident | 93.4 | Very high | 11 Ų | 11 | 24 Ų | 24 | 11% | 0.113 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 81.1 | -8 | 177 | 0 | 0 | 0 | 0 | 0 | 116.6 | P385 T426 S427 | P385-G429 VanDerWaalsContact CD-CA 3.49Å; T426-G429 PolarHBondContact O-N 2.83Å; S427-G429 VanDerWaalsContact C-N 3.32Å |
| 430 | F | 90.2 | Very high | 93.6 | Very high | 104 Ų | 104 | 23.8 Ų | 23.8 | 46% | 0.456 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -90.9 | -16.1 | -179.8 | -58.8 | -67 | 0 | 0 | 0 | 114.2 | S428 L446 H447 | S428-F430 VanDerWaalsContact C-N 3.3Å; S428-F430 WeakPolarHBondContact O-CD2 3.46Å; S428-F430 PolarHBondContact O-N 2.89Å; F430-L446 VanDerWaalsContact O-CB 3.3Å; F430-L446 WeakPolarHBondContact O-CB 3.46Å; F430-L446 PolarHBondContact O-N 2.89Å; F430-H447 AromaticContact CD1-CD2 3.94Å; F430-H447 AromaticContact CD1-CE1 3.61Å; F430-H447 AromaticContact CD1-NE2 3.14Å; F430-H447 WeakPolarHBondContact CD1-NE2 3.42Å; F430-H447 AromaticContact CE1-CE1 3.65Å; F430-H447 AromaticContact CE1-NE2 3.39Å; F430-H447 WeakPolarHBondContact CE1-NE2 3.46Å; F430-H447 AromaticContact CG-NE2 3.73Å |
| 431 | V | 94.9 | Very high | 93.6 | Very high | 24 Ų | 24 | 23.8 Ų | 23.8 | 15% | 0.145 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 132.6 | -177.1 | 175.3 | 0 | 0 | 0 | 0 | 110 | T426 V433 A443 Y444 F452 M490 | T426-V431 HydrophobicContact CG2-CB 3.69Å; T426-V431 HydrophobicContact CG2-CG1 3.91Å; T426-V431 PolarHBondContact N-O 3.46Å; T426-V431 PolarHBondContact OG1-O 3.4Å; V431-V433 HydrophobicContact CG1-CG2 4.31Å; V431-A443 HydrophobicContact CG1-CB 4.28Å; V431-Y444 WeakPolarHBondContact CA-O 3.46Å; V431-F452 HydrophobicContact CG1-CE1 3.89Å; V431-F452 HydrophobicContact CG1-CZ 3.99Å; V431-F452 HydrophobicContact CG2-CE1 4.19Å; V431-F452 HydrophobicContact CG2-CZ 4.26Å; V431-M490 HydrophobicContact CG1-CE 4.25Å |
| 432 | I | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 135.7 | 174.2 | -62.1 | 166.2 | 0 | 0 | 0 | 107.9 | V391 V399 V401 F413 V423 F425 A443 Y444 L446 | V391-I432 HydrophobicContact CB-CD1 4.49Å; V391-I432 HydrophobicContact CG1-CD1 4.29Å; V391-I432 HydrophobicContact CG1-CG2 4.04Å; V391-I432 HydrophobicContact CG2-CD1 3.42Å; V391-I432 VanDerWaalsContact CG2-CD1 3.42Å; V391-I432 HydrophobicContact CG2-CG1 3.98Å; V399-I432 HydrophobicContact CG1-CG2 4.45Å; V401-I432 HydrophobicContact CG2-CD1 3.78Å; F413-I432 HydrophobicContact CE2-CD1 4.36Å; V423-I432 HydrophobicContact CG1-CG2 3.72Å; F425-I432 HydrophobicContact CD1-CG1 3.97Å; F425-I432 HydrophobicContact CE1-CD1 4.18Å; F425-I432 HydrophobicContact CE1-CG1 3.57Å; F425-I432 HydrophobicContact CZ-CD1 4.17Å; F425-I432 HydrophobicContact CZ-CG1 3.91Å; I432-A443 CarbonylContact O-C 3.52Å; I432-A443 VanDerWaalsContact O-CA 3.29Å; I432-A443 WeakPolarHBondContact O-CA 3.47Å; I432-Y444 HydrophobicContact CG2-CD2 4.44Å; I432-Y444 PolarHBondContact N-O 3.08Å; I432-Y444 PolarHBondContact O-N 3.46Å; I432-L446 HydrophobicContact CD1-CD1 3.92Å; I432-L446 HydrophobicContact CD1-CD2 3.53Å; I432-L446 HydrophobicContact CD1-CG 3.8Å; I432-L446 HydrophobicContact CG1-CD1 4.11Å; I432-L446 HydrophobicContact CG1-CD2 4.45Å; I432-L446 HydrophobicContact CG1-CG 4.18Å |
| 433 | V | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.3 | 173.1 | -169.2 | 0 | 0 | 0 | 0 | 109.2 | V423 T424 V431 V441 R442 A443 L466 V468 V475 M490 | V423-V433 WeakPolarHBondContact CA-O 3.42Å; T424-V433 HydrophobicContact CG2-CB 4.24Å; T424-V433 PolarHBondContact N-O 3.5Å; T424-V433 PolarHBondContact O-N 2.8Å; V431-V433 HydrophobicContact CG1-CG2 4.31Å; V433-V441 HydrophobicContact CG1-CG1 3.48Å; V433-V441 VanDerWaalsContact CG1-CG1 3.48Å; V433-R442 CarbonylContact C-O 3.54Å; V433-R442 VanDerWaalsContact CA-O 3.29Å; V433-R442 WeakPolarHBondContact CA-O 3.46Å; V433-A443 HydrophobicContact CG2-CB 4.31Å; V433-L466 HydrophobicContact CB-CD2 3.99Å; V433-L466 HydrophobicContact CG1-CD1 3.91Å; V433-L466 HydrophobicContact CG1-CD2 3.78Å; V433-L466 HydrophobicContact CG1-CG 4.38Å; V433-L466 WeakPolarHBondContact O-CD2 3.37Å; V433-V468 HydrophobicContact CB-CG2 4.11Å; V433-V468 HydrophobicContact CG1-CG2 4.46Å; V433-V468 HydrophobicContact CG2-CG2 3.88Å; V433-V475 HydrophobicContact CG1-CG1 3.96Å; V433-M490 HydrophobicContact CG2-CE 3.48Å; V433-M490 VanDerWaalsContact CG2-CE 3.48Å |
| 434 | S | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 141.7 | 177.7 | 58.1 | 0 | 0 | 0 | 0 | 111.4 | H416 N422 V441 R442 Y444 | H416-S434 PolarHBondContact NE2-OG 3.48Å; N422-S434 WeakPolarHBondContact O-CA 3.49Å; S434-V441 CarbonylContact O-C 3.51Å; S434-V441 WeakPolarHBondContact O-CA 3.39Å; S434-V441 WeakPolarHBondContact O-CG1 3.43Å; S434-R442 PolarHBondContact N-O 2.91Å; S434-R442 PolarHBondContact O-N 3.5Å; S434-Y444 VanDerWaalsContact OG-CE2 3.29Å; S434-Y444 WeakPolarHBondContact OG-CE2 3.45Å |
| 435 | A | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 143.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | I420 T421 N422 V441 F463 L466 | I420-A435 CarbonylContact C-O 3.52Å; I420-A435 WeakPolarHBondContact CA-O 3.18Å; I420-A435 WeakPolarHBondContact CG2-O 3.43Å; T421-A435 PolarHBondContact N-O 3.33Å; T421-A435 PolarHBondContact OG1-O 3.07Å; N422-A435 PolarHBondContact O-N 3.24Å; A435-V441 HydrophobicContact CB-CG2 4.1Å; A435-F463 HydrophobicContact CB-CB 4.11Å; A435-L466 HydrophobicContact CB-CB 3.9Å; A435-L466 HydrophobicContact CB-CD1 4.32Å; A435-L466 HydrophobicContact CB-CD2 4.35Å; A435-L466 HydrophobicContact CB-CG 4.43Å |
| 436 | S | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 160 | -177.1 | 174 | 0 | 0 | 0 | 0 | 112.2 | H416 S418 S419 D438 G439 T440 F463 | H416-S436 VanDerWaalsContact CE1-CB 3.44Å; H416-S436 WeakPolarHBondContact CE1-CB 3.37Å; H416-S436 WeakPolarHBondContact ND1-CB 3.5Å; S418-S436 PolarHBondContact O-OG 2.83Å; S418-S436 VanDerWaalsContact O-OG 3.04Å; S419-S436 WeakPolarHBondContact O-CA 3.3Å; S419-S436 PolarHBondContact O-OG 3.27Å; S436-D438 VanDerWaalsContact CB-OD1 3.3Å; S436-D438 WeakPolarHBondContact CB-OD1 3.4Å; S436-D438 PolarHBondContact O-N 2.92Å; S436-D438 PolarHBondContact OG-N 2.93Å; S436-D438 VanDerWaalsContact OG-N 3.14Å; S436-D438 PolarHBondContact OG-OD1 2.89Å; S436-G439 PolarHBondContact O-N 3.24Å; S436-T440 PolarHBondContact N-O 3.45Å; S436-F463 PolarHBondContact O-N 2.81Å |
| 437 | L | 93.3 | Very high | 93.4 | Very high | 44 Ų | 44 | 28.3 Ų | 28.3 | 23% | 0.23 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -7.1 | 169.8 | -59.7 | -179.4 | 0 | 0 | 0 | 113.1 | S419 T421 G439 Q462 | S419-L437 PolarHBondContact O-N 2.84Å; T421-L437 HydrophobicContact CG2-CD1 4.43Å; T421-L437 HydrophobicContact CG2-CD2 3.45Å; T421-L437 VanDerWaalsContact CG2-CD2 3.45Å; T421-L437 HydrophobicContact CG2-CG 3.6Å; L437-G439 PolarHBondContact O-N 2.89Å; L437-Q462 HydrophobicContact CD2-CB 4.11Å |
| 438 | D | 92.9 | Very high | 93.7 | Very high | 39 Ų | 39 | 33.6 Ų | 33.6 | 21% | 0.209 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -6.1 | 170.2 | 70.2 | 6.1 | 0 | 0 | 0 | 113.3 | H416 T417 S436 T440 R442 | H416-D438 IonicContact CE1-OD1 2.79Å; H416-D438 IonicContact CE1-OD2 2.9Å; H416-D438 IonicContact CG-OD2 3.9Å; H416-D438 IonicContact ND1-OD1 2.69Å; H416-D438 PolarHBondContact ND1-OD1 2.83Å; H416-D438 IonicContact ND1-OD2 3.51Å; H416-D438 PolarHBondContact ND1-OD2 3.32Å; T417-D438 PolarHBondContact N-OD2 2.71Å; T417-D438 WeakPolarHBondContact OG1-CB 3.5Å; S436-D438 VanDerWaalsContact CB-OD1 3.3Å; S436-D438 WeakPolarHBondContact CB-OD1 3.4Å; S436-D438 PolarHBondContact O-N 2.92Å; S436-D438 PolarHBondContact OG-N 2.93Å; S436-D438 VanDerWaalsContact OG-N 3.14Å; S436-D438 PolarHBondContact OG-OD1 2.89Å; D438-T440 VanDerWaalsContact CG-OG1 3.25Å; D438-T440 WeakPolarHBondContact OD1-CB 3.14Å; D438-T440 PolarHBondContact OD1-N 3.31Å; D438-T440 PolarHBondContact OD1-OG1 2.84Å; D438-T440 PolarHBondContact OD2-OG1 2.81Å; D438-R442 IonicContact OD2-CZ 3.79Å; D438-R442 IonicContact OD2-NH1 3.44Å; D438-R442 PolarHBondContact OD2-NH1 2.91Å |
| 439 | G | 92.6 | Very high | 94.1 | Very high | 11 Ų | 11 | 36 Ų | 36 | 11% | 0.113 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 80.4 | 21.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S436 L437 A461 F463 | S436-G439 PolarHBondContact O-N 3.24Å; L437-G439 PolarHBondContact O-N 2.89Å; G439-A461 WeakPolarHBondContact CA-O 3.35Å; G439-F463 VanDerWaalsContact C-CE2 3.5Å; G439-F463 VanDerWaalsContact O-CE2 3.26Å; G439-F463 WeakPolarHBondContact O-CE2 3.19Å |
| 440 | T | 95.2 | Very high | 94.5 | Very high | 18 Ų | 18 | 41.7 Ų | 41.7 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 148.7 | 174.2 | 72 | 0 | 0 | 0 | 0 | 111.5 | H416 S436 D438 R442 T454 F455 T456 | H416-T440 PolarHBondContact CE1-OG1 3.3Å; S436-T440 PolarHBondContact N-O 3.45Å; D438-T440 VanDerWaalsContact CG-OG1 3.25Å; D438-T440 WeakPolarHBondContact OD1-CB 3.14Å; D438-T440 PolarHBondContact OD1-N 3.31Å; D438-T440 PolarHBondContact OD1-OG1 2.84Å; D438-T440 PolarHBondContact OD2-OG1 2.81Å; T440-R442 PolarHBondContact OG1-NH1 2.98Å; T440-T454 HydrophobicContact CG2-CG2 4.15Å; T440-F455 WeakPolarHBondContact CA-O 3.47Å; T440-T456 HydrophobicContact CG2-CG2 4.21Å |
| 441 | V | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127 | 163.7 | 179.7 | 0 | 0 | 0 | 0 | 107.1 | V433 S434 A435 T454 F455 F463 L466 V475 A477 W488 | V433-V441 HydrophobicContact CG1-CG1 3.48Å; V433-V441 VanDerWaalsContact CG1-CG1 3.48Å; S434-V441 CarbonylContact O-C 3.51Å; S434-V441 WeakPolarHBondContact O-CA 3.39Å; S434-V441 WeakPolarHBondContact O-CG1 3.43Å; A435-V441 HydrophobicContact CB-CG2 4.1Å; V441-T454 CarbonylContact O-C 3.55Å; V441-F455 HydrophobicContact CB-CB 4.16Å; V441-F455 HydrophobicContact CB-CD2 4.09Å; V441-F455 HydrophobicContact CG1-CD2 3.98Å; V441-F455 PolarHBondContact N-O 3.34Å; V441-F455 WeakPolarHBondContact O-CD2 3.49Å; V441-F455 PolarHBondContact O-N 2.86Å; V441-F463 HydrophobicContact CG2-CD2 3.71Å; V441-F463 HydrophobicContact CG2-CE2 3.98Å; V441-F463 HydrophobicContact CG2-CG 4.19Å; V441-L466 HydrophobicContact CG1-CD1 3.62Å; V441-L466 HydrophobicContact CG2-CD1 4.44Å; V441-V475 HydrophobicContact CG1-CG1 4.1Å; V441-A477 HydrophobicContact CG2-CB 3.73Å; V441-W488 HydrophobicContact CG2-CH2 4.16Å; V441-W488 HydrophobicContact CG2-CZ3 4.14Å |
| 442 | R | 96.4 | Very high | 94.7 | Very high | 35 Ų | 35 | 40 Ų | 40 | 13% | 0.132 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 142.5 | -177.2 | -69.3 | -175.8 | 166.9 | 100.5 | -2.8 | 110.7 | E415 H416 V433 S434 D438 T440 Y444 N451 R453 T454 | E415-R442 VanDerWaalsContact O-CZ 3.26Å; E415-R442 PolarHBondContact O-NH1 3.23Å; E415-R442 PolarHBondContact O-NH2 2.84Å; E415-R442 IonicContact OE2-NE 2.72Å; H416-R442 VanDerWaalsContact CA-NH1 3.31Å; H416-R442 PolarHBondContact CE1-NH1 2.78Å; H416-R442 VanDerWaalsContact CE1-NH1 3.3Å; H416-R442 VanDerWaalsContact CG-NH1 3.27Å; H416-R442 PolarHBondContact ND1-NH1 2.88Å; V433-R442 CarbonylContact C-O 3.54Å; V433-R442 VanDerWaalsContact CA-O 3.29Å; V433-R442 WeakPolarHBondContact CA-O 3.46Å; S434-R442 PolarHBondContact N-O 2.91Å; S434-R442 PolarHBondContact O-N 3.5Å; D438-R442 IonicContact OD2-CZ 3.79Å; D438-R442 IonicContact OD2-NH1 3.44Å; D438-R442 PolarHBondContact OD2-NH1 2.91Å; T440-R442 PolarHBondContact OG1-NH1 2.98Å; R442-Y444 HydrophobicContact CB-CE2 3.97Å; R442-Y444 WeakPolarHBondContact CD-OH 3.27Å; R442-N451 WeakPolarHBondContact CD-ND2 3.26Å; R442-N451 VanDerWaalsContact CG-ND2 3.34Å; R442-N451 WeakPolarHBondContact CG-ND2 3.41Å; R442-R453 CarbonylContact C-O 3.55Å; R442-R453 WeakPolarHBondContact CA-O 3.44Å; R442-T454 HydrophobicContact CG-CG2 4.13Å |
| 443 | A | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | V431 I432 V433 N451 F452 R453 F455 M490 | V431-A443 HydrophobicContact CG1-CB 4.28Å; I432-A443 CarbonylContact O-C 3.52Å; I432-A443 VanDerWaalsContact O-CA 3.29Å; I432-A443 WeakPolarHBondContact O-CA 3.47Å; V433-A443 HydrophobicContact CG2-CB 4.31Å; A443-N451 WeakPolarHBondContact O-CA 3.5Å; A443-N451 PolarHBondContact O-OD1 2.89Å; A443-F452 HydrophobicContact CB-CD1 4.47Å; A443-F452 HydrophobicContact CB-CE1 3.77Å; A443-F452 HydrophobicContact CB-CZ 3.87Å; A443-F452 WeakPolarHBondContact O-CD1 3.25Å; A443-F452 PolarHBondContact O-N 3.42Å; A443-R453 HydrophobicContact CB-CB 4.14Å; A443-R453 PolarHBondContact N-O 3.42Å; A443-F455 HydrophobicContact CB-CE2 4.2Å; A443-M490 HydrophobicContact CB-CE 4.11Å; A443-M490 HydrophobicContact CB-SD 3.8Å |
| 444 | Y | 95.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 134.9 | -177.8 | -56.9 | -78.7 | 0 | 0 | 0 | 110.8 | V399 F413 E415 H416 V431 I432 S434 R442 N451 | V399-Y444 HydrophobicContact CG2-CE2 4.17Å; F413-Y444 HydrophobicContact CB-CD1 4.2Å; F413-Y444 HydrophobicContact CB-CE1 3.77Å; F413-Y444 HydrophobicContact CB-CE2 4.48Å; F413-Y444 AromaticContact CD1-CD1 3.66Å; F413-Y444 HydrophobicContact CD1-CD1 3.66Å; F413-Y444 AromaticContact CD1-CE1 3.99Å; F413-Y444 HydrophobicContact CD1-CE1 3.99Å; F413-Y444 HydrophobicContact CD1-CG 4.29Å; F413-Y444 HydrophobicContact CD2-CD1 4.07Å; F413-Y444 HydrophobicContact CD2-CD2 4.19Å; F413-Y444 HydrophobicContact CD2-CE1 4.44Å; F413-Y444 AromaticContact CD2-CG 3.95Å; F413-Y444 HydrophobicContact CD2-CG 3.95Å; F413-Y444 AromaticContact CE1-CD1 3.95Å; F413-Y444 HydrophobicContact CE1-CD1 3.95Å; F413-Y444 HydrophobicContact CE1-CG 4.35Å; F413-Y444 HydrophobicContact CE2-CD1 4.33Å; F413-Y444 HydrophobicContact CE2-CD2 4.49Å; F413-Y444 HydrophobicContact CE2-CG 4.01Å; F413-Y444 AromaticContact CG-CD1 3.71Å; F413-Y444 HydrophobicContact CG-CD1 3.71Å; F413-Y444 AromaticContact CG-CE1 3.83Å; F413-Y444 HydrophobicContact CG-CE1 3.83Å; F413-Y444 HydrophobicContact CG-CG 4.09Å; F413-Y444 HydrophobicContact CZ-CD1 4.27Å; F413-Y444 HydrophobicContact CZ-CG 4.2Å; E415-Y444 HydrophobicContact CG-CE1 4.46Å; H416-Y444 PolarHBondContact CD2-OH 2.99Å; V431-Y444 WeakPolarHBondContact CA-O 3.46Å; I432-Y444 HydrophobicContact CG2-CD2 4.44Å; I432-Y444 PolarHBondContact N-O 3.08Å; I432-Y444 PolarHBondContact O-N 3.46Å; S434-Y444 VanDerWaalsContact OG-CE2 3.29Å; S434-Y444 WeakPolarHBondContact OG-CE2 3.45Å; R442-Y444 HydrophobicContact CB-CE2 3.97Å; R442-Y444 WeakPolarHBondContact CD-OH 3.27Å; Y444-N451 HydrophobicContact CD1-CB 3.82Å; Y444-N451 HydrophobicContact CE1-CB 3.74Å |
| 445 | D | 94.5 | Very high | 94.5 | Very high | 27 Ų | 27 | 47.8 Ų | 47.8 | 14% | 0.144 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 124.9 | 171.5 | 177 | 7.8 | 0 | 0 | 0 | 109.6 | H447 Y449 R450 F452 | D445-H447 PolarHBondContact OD1-N 2.88Å; D445-Y449 WeakPolarHBondContact O-CA 3.43Å; D445-Y449 PolarHBondContact O-N 3.25Å; D445-R450 PolarHBondContact N-O 3.07Å; D445-F452 HydrophobicContact CB-CD1 3.93Å; D445-F452 HydrophobicContact CB-CE1 4.33Å |
| 446 | L | 91.3 | Very high | 94.4 | Very high | 16 Ų | 16 | 51.7 Ų | 51.7 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -13.7 | 179.1 | -76.5 | 177.3 | 0 | 0 | 0 | 114.5 | V401 F425 F430 I432 Y449 | V401-L446 HydrophobicContact CG1-CD2 4.47Å; V401-L446 HydrophobicContact CG2-CD2 4.23Å; F425-L446 HydrophobicContact CE1-CD1 3.72Å; F425-L446 HydrophobicContact CZ-CD1 4.39Å; F430-L446 VanDerWaalsContact O-CB 3.3Å; F430-L446 WeakPolarHBondContact O-CB 3.46Å; F430-L446 PolarHBondContact O-N 2.89Å; I432-L446 HydrophobicContact CD1-CD1 3.92Å; I432-L446 HydrophobicContact CD1-CD2 3.53Å; I432-L446 HydrophobicContact CD1-CG 3.8Å; I432-L446 HydrophobicContact CG1-CD1 4.11Å; I432-L446 HydrophobicContact CG1-CD2 4.45Å; I432-L446 HydrophobicContact CG1-CG 4.18Å; L446-Y449 HydrophobicContact CD2-CE1 4.3Å; L446-Y449 WeakPolarHBondContact O-CD1 3.35Å; L446-Y449 WeakPolarHBondContact O-CE1 3.21Å; L446-Y449 VanDerWaalsContact O-CZ 3.3Å |
| 447 | H | 90.3 | Very high | 94.1 | Very high | 131 Ų | 131 | 52.2 Ų | 52.2 | 61% | 0.606 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -37.9 | 174.5 | -74.2 | -52.1 | 0 | 0 | 0 | 112.3 | F430 D445 | F430-H447 AromaticContact CD1-CD2 3.94Å; F430-H447 AromaticContact CD1-CE1 3.61Å; F430-H447 AromaticContact CD1-NE2 3.14Å; F430-H447 WeakPolarHBondContact CD1-NE2 3.42Å; F430-H447 AromaticContact CE1-CE1 3.65Å; F430-H447 AromaticContact CE1-NE2 3.39Å; F430-H447 WeakPolarHBondContact CE1-NE2 3.46Å; F430-H447 AromaticContact CG-NE2 3.73Å; D445-H447 PolarHBondContact OD1-N 2.88Å |
| 448 | R | 92.9 | Very high | 93.9 | Very high | 175 Ų | 175 | 55 Ų | 55 | 66% | 0.66 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -5.1 | -176.1 | -60.9 | -177.2 | -176.4 | -164.6 | 3.4 | 113.6 | R450 | R448-R450 VanDerWaalsContact C-N 3.26Å; R448-R450 HydrophobicContact CB-CG 4.14Å; R448-R450 PolarHBondContact O-N 2.9Å |
| 449 | Y | 94.9 | Very high | 93.8 | Very high | 120 Ų | 120 | 62.7 Ų | 62.7 | 47% | 0.471 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 44.1 | -178.8 | -54.8 | -59 | 0 | 0 | 0 | 113.8 | F410 V411 F413 D445 L446 | F410-Y449 HydrophobicContact CE2-CE1 4.02Å; V411-Y449 HydrophobicContact CB-CD1 4.35Å; V411-Y449 HydrophobicContact CG1-CD1 4.06Å; V411-Y449 HydrophobicContact CG2-CD1 3.41Å; V411-Y449 VanDerWaalsContact CG2-CD1 3.41Å; V411-Y449 HydrophobicContact CG2-CE1 3.34Å; V411-Y449 HydrophobicContact CG2-CG 4.07Å; F413-Y449 HydrophobicContact CZ-CD1 4.44Å; D445-Y449 WeakPolarHBondContact O-CA 3.43Å; D445-Y449 PolarHBondContact O-N 3.25Å; L446-Y449 HydrophobicContact CD2-CE1 4.3Å; L446-Y449 WeakPolarHBondContact O-CD1 3.35Å; L446-Y449 WeakPolarHBondContact O-CE1 3.21Å; L446-Y449 VanDerWaalsContact O-CZ 3.3Å |
| 450 | R | 94.1 | Very high | 93.6 | Very high | 130 Ų | 130 | 68.7 Ų | 68.7 | 49% | 0.491 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 150.7 | 177.3 | 69.1 | 178.2 | -173.9 | 151.2 | 3 | 110.8 | D445 R448 F452 | D445-R450 PolarHBondContact N-O 3.07Å; R448-R450 VanDerWaalsContact C-N 3.26Å; R448-R450 HydrophobicContact CB-CG 4.14Å; R448-R450 PolarHBondContact O-N 2.9Å; R450-F452 PolarHBondContact O-N 2.98Å |
| 451 | N | 95.2 | Very high | 93.3 | Very high | 27 Ų | 27 | 68.1 Ų | 68.1 | 14% | 0.144 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 127.1 | 159.3 | 178.5 | -19.8 | 0 | 0 | 0 | 109.4 | E415 R442 A443 Y444 R453 T454 | E415-N451 WeakPolarHBondContact OE1-CB 3.33Å; E415-N451 WeakPolarHBondContact OE2-CB 3.48Å; E415-N451 VanDerWaalsContact OE2-CG 3.25Å; E415-N451 PolarHBondContact OE2-ND2 3.48Å; R442-N451 WeakPolarHBondContact CD-ND2 3.26Å; R442-N451 VanDerWaalsContact CG-ND2 3.34Å; R442-N451 WeakPolarHBondContact CG-ND2 3.41Å; A443-N451 WeakPolarHBondContact O-CA 3.5Å; A443-N451 PolarHBondContact O-OD1 2.89Å; Y444-N451 HydrophobicContact CD1-CB 3.82Å; Y444-N451 HydrophobicContact CE1-CB 3.74Å; N451-R453 WeakPolarHBondContact OD1-CA 3.41Å; N451-R453 PolarHBondContact OD1-N 2.98Å; N451-R453 PolarHBondContact OD1-O 3.01Å; N451-T454 PolarHBondContact ND2-OG1 2.9Å; N451-T454 VanDerWaalsContact ND2-OG1 3.07Å |
| 452 | F | 94.4 | Very high | 93.2 | Very high | 65 Ų | 65 | 72 Ų | 72 | 29% | 0.285 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -15.5 | 175.4 | 72.4 | -81.5 | 0 | 0 | 0 | 112.8 | V431 A443 D445 R450 M490 | V431-F452 HydrophobicContact CG1-CE1 3.89Å; V431-F452 HydrophobicContact CG1-CZ 3.99Å; V431-F452 HydrophobicContact CG2-CE1 4.19Å; V431-F452 HydrophobicContact CG2-CZ 4.26Å; A443-F452 HydrophobicContact CB-CD1 4.47Å; A443-F452 HydrophobicContact CB-CE1 3.77Å; A443-F452 HydrophobicContact CB-CZ 3.87Å; A443-F452 WeakPolarHBondContact O-CD1 3.25Å; A443-F452 PolarHBondContact O-N 3.42Å; D445-F452 HydrophobicContact CB-CD1 3.93Å; D445-F452 HydrophobicContact CB-CE1 4.33Å; R450-F452 PolarHBondContact O-N 2.98Å; F452-M490 HydrophobicContact CE2-SD 4.25Å; F452-M490 HydrophobicContact CZ-SD 3.9Å |
| 453 | R | 94.5 | Very high | 93.1 | Very high | 97 Ų | 97 | 70.3 Ų | 70.3 | 37% | 0.366 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 131.8 | 174 | -64.9 | -64.1 | -179.6 | -150.5 | 6.3 | 111.8 | R442 A443 N451 F455 Q491 | R442-R453 CarbonylContact C-O 3.55Å; R442-R453 WeakPolarHBondContact CA-O 3.44Å; A443-R453 HydrophobicContact CB-CB 4.14Å; A443-R453 PolarHBondContact N-O 3.42Å; N451-R453 WeakPolarHBondContact OD1-CA 3.41Å; N451-R453 PolarHBondContact OD1-N 2.98Å; N451-R453 PolarHBondContact OD1-O 3.01Å; R453-F455 HydrophobicContact CB-CE1 4.34Å; R453-F455 HydrophobicContact CB-CE2 4.1Å; R453-F455 HydrophobicContact CB-CZ 3.85Å; R453-F455 HydrophobicContact CG-CZ 4.36Å; R453-Q491 PolarHBondContact NH2-O 2.8Å |
| 454 | T | 95.4 | Very high | 92.9 | Very high | 66 Ų | 66 | 71.5 Ų | 71.5 | 41% | 0.405 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 118.6 | 166 | -57.5 | 0 | 0 | 0 | 0 | 107.7 | T440 V441 R442 N451 T456 | T440-T454 HydrophobicContact CG2-CG2 4.15Å; V441-T454 CarbonylContact O-C 3.55Å; R442-T454 HydrophobicContact CG-CG2 4.13Å; N451-T454 PolarHBondContact ND2-OG1 2.9Å; N451-T454 VanDerWaalsContact ND2-OG1 3.07Å; T454-T456 HydrophobicContact CG2-CG2 4.35Å |
| 455 | F | 95.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 71.5 Ų | 71.5 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 134.4 | 175.4 | -48.6 | -80.5 | 0 | 0 | 0 | 109.3 | T440 V441 A443 R453 V475 W488 M490 | T440-F455 WeakPolarHBondContact CA-O 3.47Å; V441-F455 HydrophobicContact CB-CB 4.16Å; V441-F455 HydrophobicContact CB-CD2 4.09Å; V441-F455 HydrophobicContact CG1-CD2 3.98Å; V441-F455 PolarHBondContact N-O 3.34Å; V441-F455 WeakPolarHBondContact O-CD2 3.49Å; V441-F455 PolarHBondContact O-N 2.86Å; A443-F455 HydrophobicContact CB-CE2 4.2Å; R453-F455 HydrophobicContact CB-CE1 4.34Å; R453-F455 HydrophobicContact CB-CE2 4.1Å; R453-F455 HydrophobicContact CB-CZ 3.85Å; R453-F455 HydrophobicContact CG-CZ 4.36Å; F455-V475 HydrophobicContact CE2-CG2 4.17Å; F455-V475 HydrophobicContact CZ-CG2 4.19Å; F455-W488 HydrophobicContact CB-CD2 3.77Å; F455-W488 HydrophobicContact CB-CE3 4.3Å; F455-W488 HydrophobicContact CB-CG 3.88Å; F455-W488 HydrophobicContact CB-CZ2 4.28Å; F455-W488 HydrophobicContact CD1-CB 3.46Å; F455-W488 VanDerWaalsContact CD1-CB 3.46Å; F455-W488 AromaticContact CD1-CD1 3.84Å; F455-W488 HydrophobicContact CD1-CD2 4.32Å; F455-W488 AromaticContact CD1-CG 3.61Å; F455-W488 HydrophobicContact CD1-CG 3.61Å; F455-W488 HydrophobicContact CE1-CB 3.78Å; F455-W488 HydrophobicContact CE1-CG 4.42Å; F455-W488 HydrophobicContact CG-CB 4.13Å; F455-W488 HydrophobicContact CG-CD2 4.19Å; F455-W488 AromaticContact CG-CG 3.97Å; F455-W488 HydrophobicContact CG-CG 3.97Å; F455-M490 HydrophobicContact CE2-SD 4.19Å; F455-M490 HydrophobicContact CZ-CE 4.49Å; F455-M490 HydrophobicContact CZ-SD 3.74Å |
| 456 | T | 93.6 | Very high | 92.8 | Very high | 82 Ų | 82 | 70.4 Ų | 70.4 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 149.5 | 179.6 | 56.9 | 0 | 0 | 0 | 0 | 109.3 | T440 T454 W488 | T440-T456 HydrophobicContact CG2-CG2 4.21Å; T454-T456 HydrophobicContact CG2-CG2 4.35Å; T456-W488 PolarHBondContact O-NE1 2.73Å |
| 457 | S | 90.7 | Very high | 92.9 | Very high | 12 Ų | 12 | 70 Ų | 70 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | trans | -82.7 | 154.4 | 169.5 | 47.5 | 0 | 0 | 0 | 0 | 110.8 | R459 | S457-R459 VanDerWaalsContact CB-O 3.25Å; S457-R459 WeakPolarHBondContact CB-O 3.32Å; S457-R459 PolarHBondContact O-N 3.22Å; S457-R459 PolarHBondContact OG-O 3.31Å | ||
| 458 | P | 89.1 | Confident | 93.1 | Very high | 102 Ų | 102 | 64.6 Ų | 64.6 | 66% | 0.662 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -62 | -32.5 | 178.1 | -23.2 | 34.5 | 0 | 0 | 0 | 113 | L495 | P458-L495 HydrophobicContact CG-CD2 3.71Š|
| 459 | R | 89.4 | Confident | 93.1 | Very high | 201 Ų | 201 | 56.5 Ų | 56.5 | 76% | 0.758 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -110.6 | 135.2 | 168.9 | -65.8 | -178.9 | -174.3 | 150.4 | 2.2 | 108.3 | S457 A461 | S457-R459 VanDerWaalsContact CB-O 3.25Å; S457-R459 WeakPolarHBondContact CB-O 3.32Å; S457-R459 PolarHBondContact O-N 3.22Å; S457-R459 PolarHBondContact OG-O 3.31Å; R459-A461 PolarHBondContact O-N 2.89Å; R459-A461 VanDerWaalsContact O-N 3.07Å |
| 460 | P | 88.3 | Confident | 92.7 | Very high | 136 Ų | 136 | 53.7 Ų | 53.7 | 88% | 0.883 | 28% | 0.275 | S | S | * | . | trans | -55.5 | 117.5 | 175.7 | -23.7 | 33.3 | 0 | 0 | 0 | 110.3 | ||||
| 461 | A | 90.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 50.8 Ų | 50.8 | 6% | 0.058 | 28% | 0.275 | C | S | . | . | trans | -134.3 | 143.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | G439 R459 A479 | G439-A461 WeakPolarHBondContact CA-O 3.35Å; R459-A461 PolarHBondContact O-N 2.89Å; R459-A461 VanDerWaalsContact O-N 3.07Å; A461-A479 HydrophobicContact CB-CB 4.05Å | ||
| 462 | Q | 93.2 | Very high | 92 | Very high | 80 Ų | 80 | 50 Ų | 50 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | trans | -85.1 | 127.8 | 177.8 | -59.1 | -175.8 | -2.8 | 0 | 0 | 110.2 | L437 A479 Q480 | L437-Q462 HydrophobicContact CD2-CB 4.11Å; Q462-A479 WeakPolarHBondContact O-CA 3.5Å; Q462-Q480 PolarHBondContact O-N 3.35Å | ||
| 463 | F | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 123 | -177.9 | -61.9 | -58.5 | 0 | 0 | 0 | 111.6 | T421 A435 S436 G439 V441 A477 G478 A479 F486 W488 | T421-F463 WeakPolarHBondContact CB-O 3.4Å; T421-F463 WeakPolarHBondContact CG2-O 3.41Å; T421-F463 PolarHBondContact OG1-O 2.75Å; A435-F463 HydrophobicContact CB-CB 4.11Å; S436-F463 PolarHBondContact O-N 2.81Å; G439-F463 VanDerWaalsContact C-CE2 3.5Å; G439-F463 VanDerWaalsContact O-CE2 3.26Å; G439-F463 WeakPolarHBondContact O-CE2 3.19Å; V441-F463 HydrophobicContact CG2-CD2 3.71Å; V441-F463 HydrophobicContact CG2-CE2 3.98Å; V441-F463 HydrophobicContact CG2-CG 4.19Å; F463-A477 HydrophobicContact CB-CB 4.42Å; F463-A477 HydrophobicContact CD1-CB 3.82Å; F463-A477 HydrophobicContact CE1-CB 4.3Å; F463-A477 HydrophobicContact CG-CB 4.11Å; F463-G478 WeakPolarHBondContact CA-O 3.46Å; F463-A479 HydrophobicContact CD1-CB 4.49Å; F463-F486 AromaticContact CE1-CD2 3.64Å; F463-F486 HydrophobicContact CE1-CD2 3.64Å; F463-F486 HydrophobicContact CE1-CE2 4.15Å; F463-F486 HydrophobicContact CE1-CG 4.26Å; F463-F486 HydrophobicContact CZ-CD2 4.43Å; F463-W488 AromaticContact CE1-CH2 3.82Å; F463-W488 HydrophobicContact CE1-CH2 3.82Å; F463-W488 HydrophobicContact CE1-CZ2 4.45Å; F463-W488 HydrophobicContact CE2-CH2 4.19Å; F463-W488 AromaticContact CZ-CH2 3.58Å; F463-W488 HydrophobicContact CZ-CH2 3.58Å; F463-W488 AromaticContact CZ-CZ2 3.89Å; F463-W488 HydrophobicContact CZ-CZ2 3.89Å |
| 464 | S | 91.9 | Very high | 91.7 | Very high | 25 Ų | 25 | 48.1 Ų | 48.1 | 18% | 0.175 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -32.2 | 179.9 | 57.2 | 0 | 0 | 0 | 0 | 113 | T421 G478 V506 | T421-S464 WeakPolarHBondContact CB-O 3.39Å; S464-G478 PolarHBondContact N-O 2.86Å; S464-G478 PolarHBondContact OG-O 3.4Å; S464-V506 PolarHBondContact OG-O 3.18Å |
| 465 | S | 92.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 155.6 | -170 | 58.6 | 0 | 0 | 0 | 0 | 111.4 | A477 G478 | S465-A477 VanDerWaalsContact O-CA 3.27Å; S465-A477 WeakPolarHBondContact O-CA 3.42Å; S465-A477 WeakPolarHBondContact O-CB 3.16Å; S465-G478 PolarHBondContact O-N 3.43Å |
| 466 | L | 95.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 140.1 | -174.8 | -179.7 | 72.4 | 0 | 0 | 0 | 108.8 | N422 T424 V433 A435 V441 V475 S476 A477 | N422-L466 HydrophobicContact CB-CB 3.98Å; T424-L466 HydrophobicContact CG2-CD2 3.79Å; T424-L466 HydrophobicContact CG2-CG 4.11Å; V433-L466 HydrophobicContact CB-CD2 3.99Å; V433-L466 HydrophobicContact CG1-CD1 3.91Å; V433-L466 HydrophobicContact CG1-CD2 3.78Å; V433-L466 HydrophobicContact CG1-CG 4.38Å; V433-L466 WeakPolarHBondContact O-CD2 3.37Å; A435-L466 HydrophobicContact CB-CB 3.9Å; A435-L466 HydrophobicContact CB-CD1 4.32Å; A435-L466 HydrophobicContact CB-CD2 4.35Å; A435-L466 HydrophobicContact CB-CG 4.43Å; V441-L466 HydrophobicContact CG1-CD1 3.62Å; V441-L466 HydrophobicContact CG2-CD1 4.44Å; L466-V475 HydrophobicContact CD1-CG1 3.82Å; L466-S476 WeakPolarHBondContact CA-O 3.34Å; L466-A477 HydrophobicContact CD1-CB 4.31Å |
| 467 | A | 94.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 41 Ų | 41 | 5% | 0.05 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 151.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | S476 L509 F511 L518 | A467-S476 PolarHBondContact N-O 3.5Å; A467-S476 PolarHBondContact O-N 2.81Å; A467-S476 VanDerWaalsContact O-O 3.09Å; A467-S476 PolarHBondContact O-OG 2.68Å; A467-L509 HydrophobicContact CB-CB 3.78Å; A467-F511 HydrophobicContact CB-CD2 3.56Å; A467-F511 HydrophobicContact CB-CE2 3.97Å; A467-L518 HydrophobicContact CB-CD1 4.22Å |
| 468 | V | 94.2 | Very high | 91.8 | Very high | 18 Ų | 18 | 40.4 Ų | 40.4 | 11% | 0.109 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 141.9 | 178.5 | 172.8 | 0 | 0 | 0 | 0 | 108.5 | T424 T426 V433 V475 F511 | T424-V468 HydrophobicContact CG2-CB 3.95Å; T424-V468 HydrophobicContact CG2-CG2 3.4Å; T426-V468 HydrophobicContact CG2-CG1 4.16Å; V433-V468 HydrophobicContact CB-CG2 4.11Å; V433-V468 HydrophobicContact CG1-CG2 4.46Å; V433-V468 HydrophobicContact CG2-CG2 3.88Å; V468-V475 HydrophobicContact CG2-CG1 4.34Å; V468-V475 HydrophobicContact CG2-CG2 4.27Å; V468-F511 WeakPolarHBondContact O-CD2 3.23Å |
| 469 | D | 92.1 | Very high | 92 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 3% | 0.032 | 19% | 0.191 | C | C | . | . | trans | -69.9 | 158.6 | 179.3 | -179.6 | 48.6 | 0 | 0 | 0 | 112.3 | S471 G472 L474 F511 S516 | D469-S471 PolarHBondContact O-N 2.98Å; D469-S471 VanDerWaalsContact OD2-CB 3.31Å; D469-S471 WeakPolarHBondContact OD2-CB 3.49Å; D469-S471 PolarHBondContact OD2-N 3Å; D469-S471 PolarHBondContact OD2-OG 2.92Å; D469-G472 WeakPolarHBondContact O-CA 3.31Å; D469-G472 PolarHBondContact O-N 3.4Å; D469-L474 HydrophobicContact CB-CB 3.86Å; D469-L474 PolarHBondContact N-O 2.92Å; D469-F511 HydrophobicContact CB-CD1 4.15Å; D469-F511 HydrophobicContact CB-CE1 3.99Å; D469-F511 HydrophobicContact CB-CE2 4.44Å; D469-F511 HydrophobicContact CB-CG 4.42Å; D469-F511 HydrophobicContact CB-CZ 4.16Å; D469-S516 PolarHBondContact OD1-OG 2.78Å | ||
| 470 | V | 87 | Confident | 91.9 | Very high | 60 Ų | 60 | 30 Ų | 30 | 36% | 0.364 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -30.2 | 180 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | S427 G472 S512 P513 | S427-V470 WeakPolarHBondContact CB-O 3.32Å; S427-V470 PolarHBondContact OG-O 3.25Å; V470-G472 PolarHBondContact O-N 3.21Å; V470-S512 WeakPolarHBondContact CG2-O 3.44Å; V470-P513 WeakPolarHBondContact CG2-O 3.33Å |
| 471 | S | 87.1 | Confident | 91.9 | Very high | 69 Ų | 69 | 27.9 Ų | 27.9 | 48% | 0.483 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -23.2 | 172.2 | 68.1 | 0 | 0 | 0 | 0 | 113 | D469 E473 | D469-S471 PolarHBondContact O-N 2.98Å; D469-S471 VanDerWaalsContact OD2-CB 3.31Å; D469-S471 WeakPolarHBondContact OD2-CB 3.49Å; D469-S471 PolarHBondContact OD2-N 3Å; D469-S471 PolarHBondContact OD2-OG 2.92Å; S471-E473 VanDerWaalsContact C-N 3.27Å; S471-E473 PolarHBondContact OG-N 2.9Å; S471-E473 VanDerWaalsContact OG-N 3.14Å |
| 472 | G | 86.8 | Confident | 91.7 | Very high | 12 Ų | 12 | 29.7 Ų | 29.7 | 12% | 0.124 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 77.6 | 5.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D469 V470 M490 | D469-G472 WeakPolarHBondContact O-CA 3.31Å; D469-G472 PolarHBondContact O-N 3.4Å; V470-G472 PolarHBondContact O-N 3.21Å; G472-M490 WeakPolarHBondContact O-CB 3.42Å |
| 473 | E | 90 | Very high | 91.7 | Very high | 98 Ų | 98 | 29.5 Ų | 29.5 | 46% | 0.458 | 17% | 0.165 | S | C | . | . | trans | -85.6 | -29.3 | -178.8 | -62.7 | -167.3 | 155.7 | 0 | 0 | 113.5 | S471 S489 M490 Q491 | S471-E473 VanDerWaalsContact C-N 3.27Å; S471-E473 PolarHBondContact OG-N 2.9Å; S471-E473 VanDerWaalsContact OG-N 3.14Å; E473-S489 CarbonylContact O-C 3.59Å; E473-S489 WeakPolarHBondContact O-CA 3.44Å; E473-M490 WeakPolarHBondContact O-CB 3.28Å; E473-M490 PolarHBondContact O-N 2.76Å; E473-Q491 PolarHBondContact OE1-NE2 3.49Å | ||
| 474 | L | 93.3 | Very high | 91.6 | Very high | 23 Ų | 23 | 32.8 Ų | 32.8 | 12% | 0.12 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 135.3 | -176.7 | -61.8 | 175.2 | 0 | 0 | 0 | 111.3 | D469 L487 L496 M532 W536 | D469-L474 HydrophobicContact CB-CB 3.86Å; D469-L474 PolarHBondContact N-O 2.92Å; L474-L487 HydrophobicContact CB-CD1 4.14Å; L474-L487 HydrophobicContact CD2-CD2 4.36Å; L474-L487 HydrophobicContact CD2-CG 4.48Å; L474-L496 HydrophobicContact CD2-CD1 3.42Å; L474-L496 VanDerWaalsContact CD2-CD1 3.42Å; L474-M532 HydrophobicContact CD1-CB 4.31Å; L474-W536 HydrophobicContact CD1-CH2 3.94Å; L474-W536 HydrophobicContact CD1-CZ3 4.05Å; L474-W536 HydrophobicContact CD2-CH2 4.23Å |
| 475 | V | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.5 | 174.2 | -177.3 | 0 | 0 | 0 | 0 | 108.2 | V433 V441 F455 L466 V468 L487 W488 M490 | V433-V475 HydrophobicContact CG1-CG1 3.96Å; V441-V475 HydrophobicContact CG1-CG1 4.1Å; F455-V475 HydrophobicContact CE2-CG2 4.17Å; F455-V475 HydrophobicContact CZ-CG2 4.19Å; L466-V475 HydrophobicContact CD1-CG1 3.82Å; V468-V475 HydrophobicContact CG2-CG1 4.34Å; V468-V475 HydrophobicContact CG2-CG2 4.27Å; V475-L487 WeakPolarHBondContact O-CA 3.38Å; V475-W488 HydrophobicContact CG1-CE3 4.45Å; V475-W488 PolarHBondContact N-O 2.97Å; V475-W488 PolarHBondContact O-N 3.48Å; V475-M490 HydrophobicContact CG2-CB 4.36Å; V475-M490 HydrophobicContact CG2-CE 3.33Å; V475-M490 HydrophobicContact CG2-SD 4.29Å |
| 476 | S | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 135.8 | 175.6 | 66.7 | 0 | 0 | 0 | 0 | 111 | L466 A467 F486 F511 | L466-S476 WeakPolarHBondContact CA-O 3.34Å; A467-S476 PolarHBondContact N-O 3.5Å; A467-S476 PolarHBondContact O-N 2.81Å; A467-S476 VanDerWaalsContact O-O 3.09Å; A467-S476 PolarHBondContact O-OG 2.68Å; S476-F486 CarbonylContact C-O 3.53Å; S476-F486 VanDerWaalsContact CA-O 3.25Å; S476-F486 WeakPolarHBondContact CA-O 3.33Å; S476-F511 VanDerWaalsContact OG-CE2 3.26Å; S476-F511 WeakPolarHBondContact OG-CE2 3.15Å |
| 477 | A | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 140.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V441 F463 S465 L466 I485 F486 W488 | V441-A477 HydrophobicContact CG2-CB 3.73Å; F463-A477 HydrophobicContact CB-CB 4.42Å; F463-A477 HydrophobicContact CD1-CB 3.82Å; F463-A477 HydrophobicContact CE1-CB 4.3Å; F463-A477 HydrophobicContact CG-CB 4.11Å; S465-A477 VanDerWaalsContact O-CA 3.27Å; S465-A477 WeakPolarHBondContact O-CA 3.42Å; S465-A477 WeakPolarHBondContact O-CB 3.16Å; L466-A477 HydrophobicContact CD1-CB 4.31Å; A477-I485 WeakPolarHBondContact O-CA 3.32Å; A477-F486 PolarHBondContact N-O 2.95Å; A477-F486 PolarHBondContact O-N 3.35Å; A477-W488 HydrophobicContact CB-CH2 3.91Å; A477-W488 HydrophobicContact CB-CZ3 3.55Å |
| 478 | G | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 129.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | F463 S464 S465 | F463-G478 WeakPolarHBondContact CA-O 3.46Å; S464-G478 PolarHBondContact N-O 2.86Å; S464-G478 PolarHBondContact OG-O 3.4Å; S465-G478 PolarHBondContact O-N 3.43Å |
| 479 | A | 92 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 141.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A461 Q462 F463 S482 E484 F486 | A461-A479 HydrophobicContact CB-CB 4.05Å; Q462-A479 WeakPolarHBondContact O-CA 3.5Å; F463-A479 HydrophobicContact CD1-CB 4.49Å; A479-S482 VanDerWaalsContact CB-OG 3.23Å; A479-S482 WeakPolarHBondContact CB-OG 3.48Å; A479-E484 PolarHBondContact N-O 3.22Å; A479-F486 HydrophobicContact CB-CD2 4.35Å; A479-F486 HydrophobicContact CB-CE2 3.81Å |
| 480 | Q | 88.3 | Confident | 91.9 | Very high | 84 Ų | 84 | 31.7 Ų | 31.7 | 39% | 0.393 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -77.5 | -38.3 | 174.9 | -171.1 | 172.9 | -20.5 | 0 | 0 | 111.8 | Q462 F483 P505 | Q462-Q480 PolarHBondContact O-N 3.35Å; Q480-F483 WeakPolarHBondContact O-CD1 3.29Å; Q480-F483 WeakPolarHBondContact O-CE1 3.47Å; Q480-P505 HydrophobicContact CG-CB 4.44Å |
| 481 | D | 87.4 | Confident | 92 | Very high | 92 Ų | 92 | 34.8 Ų | 34.8 | 49% | 0.492 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -90.5 | -41.7 | -171.1 | -60.6 | -31.3 | 0 | 0 | 0 | 113.4 | F483 | D481-F483 WeakPolarHBondContact O-CE1 3.42Š|
| 482 | S | 87 | Confident | 92.2 | Very high | 45 Ų | 45 | 35.1 Ų | 35.1 | 32% | 0.315 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -91 | -8.1 | -176.4 | 65.3 | 0 | 0 | 0 | 0 | 114 | A479 E484 | A479-S482 VanDerWaalsContact CB-OG 3.23Å; A479-S482 WeakPolarHBondContact CB-OG 3.48Å; S482-E484 PolarHBondContact O-N 2.81Å |
| 483 | F | 92.2 | Very high | 92.4 | Very high | 75 Ų | 75 | 35.8 Ų | 35.8 | 33% | 0.329 | 19% | 0.189 | S | C | . | . | trans | 60.8 | 2.2 | -179 | -42.4 | -28.2 | 0 | 0 | 0 | 115.1 | Q480 D481 G504 P505 | Q480-F483 WeakPolarHBondContact O-CD1 3.29Å; Q480-F483 WeakPolarHBondContact O-CE1 3.47Å; D481-F483 WeakPolarHBondContact O-CE1 3.42Å; F483-G504 WeakPolarHBondContact CB-O 3.15Å; F483-P505 HydrophobicContact CD1-CB 4.27Å; F483-P505 HydrophobicContact CD1-CG 3.93Å; F483-P505 HydrophobicContact CE1-CB 4.43Å; F483-P505 HydrophobicContact CE1-CG 3.64Å | ||
| 484 | E | 93 | Very high | 92.5 | Very high | 69 Ų | 69 | 40.1 Ų | 40.1 | 32% | 0.322 | 20% | 0.201 | S | C | . | . | trans | -85 | 153.2 | 177.8 | -69.7 | 166.1 | 169.3 | 0 | 0 | 110.9 | A479 S482 F486 V498 | A479-E484 PolarHBondContact N-O 3.22Å; S482-E484 PolarHBondContact O-N 2.81Å; E484-F486 HydrophobicContact CB-CE2 4.13Å; E484-F486 HydrophobicContact CB-CZ 4.3Å; E484-V498 HydrophobicContact CB-CG1 3.69Å; E484-V498 HydrophobicContact CG-CG1 3.88Å | ||
| 485 | I | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 124.2 | 171.1 | -54.4 | 161.2 | 0 | 0 | 0 | 107.7 | A477 L499 V506 L509 L518 W530 | A477-I485 WeakPolarHBondContact O-CA 3.32Å; I485-L499 HydrophobicContact CB-CB 4.14Å; I485-L499 HydrophobicContact CB-CD1 4.41Å; I485-L499 HydrophobicContact CG2-CD1 4.34Å; I485-L499 PolarHBondContact N-O 2.76Å; I485-L499 VanDerWaalsContact N-O 3.08Å; I485-L499 PolarHBondContact O-N 3.12Å; I485-V506 HydrophobicContact CD1-CG2 4.38Å; I485-V506 HydrophobicContact CG1-CG1 4.3Å; I485-V506 HydrophobicContact CG1-CG2 3.88Å; I485-L509 HydrophobicContact CD1-CD2 3.83Å; I485-L509 HydrophobicContact CG1-CD2 4.17Å; I485-L509 HydrophobicContact CG2-CD1 3.92Å; I485-L509 HydrophobicContact CG2-CD2 4.23Å; I485-L518 HydrophobicContact CG2-CD2 4.24Å; I485-W530 HydrophobicContact CD1-CZ2 4.23Å |
| 486 | F | 95.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 135.6 | 179.1 | -65.7 | -89.6 | 0 | 0 | 0 | 109.8 | F463 S476 A477 A479 E484 W488 L495 V498 | F463-F486 AromaticContact CE1-CD2 3.64Å; F463-F486 HydrophobicContact CE1-CD2 3.64Å; F463-F486 HydrophobicContact CE1-CE2 4.15Å; F463-F486 HydrophobicContact CE1-CG 4.26Å; F463-F486 HydrophobicContact CZ-CD2 4.43Å; S476-F486 CarbonylContact C-O 3.53Å; S476-F486 VanDerWaalsContact CA-O 3.25Å; S476-F486 WeakPolarHBondContact CA-O 3.33Å; A477-F486 PolarHBondContact N-O 2.95Å; A477-F486 PolarHBondContact O-N 3.35Å; A479-F486 HydrophobicContact CB-CD2 4.35Å; A479-F486 HydrophobicContact CB-CE2 3.81Å; E484-F486 HydrophobicContact CB-CE2 4.13Å; E484-F486 HydrophobicContact CB-CZ 4.3Å; F486-W488 HydrophobicContact CB-CE3 4.3Å; F486-W488 HydrophobicContact CB-CH2 3.24Å; F486-W488 HydrophobicContact CB-CZ2 3.46Å; F486-W488 VanDerWaalsContact CB-CZ2 3.46Å; F486-W488 HydrophobicContact CB-CZ3 3.69Å; F486-W488 HydrophobicContact CG-CH2 4.1Å; F486-W488 HydrophobicContact CG-CZ2 4.11Å; F486-W488 WeakPolarHBondContact O-CZ3 3.05Å; F486-L495 HydrophobicContact CB-CD1 3.98Å; F486-L495 HydrophobicContact CD1-CD1 3.89Å; F486-L495 HydrophobicContact CD1-CD2 4.41Å; F486-L495 HydrophobicContact CG-CD1 4.45Å; F486-V498 HydrophobicContact CD1-CG1 4.31Å; F486-V498 HydrophobicContact CD1-CG2 3.83Å; F486-V498 HydrophobicContact CE1-CG1 4.03Å; F486-V498 HydrophobicContact CE1-CG2 3.86Å; F486-V498 HydrophobicContact CZ-CG1 4.42Å |
| 487 | L | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.1 | 178.4 | -173.8 | 73.1 | 0 | 0 | 0 | 110.7 | L474 V475 L495 L496 E497 M532 W536 | L474-L487 HydrophobicContact CB-CD1 4.14Å; L474-L487 HydrophobicContact CD2-CD2 4.36Å; L474-L487 HydrophobicContact CD2-CG 4.48Å; V475-L487 WeakPolarHBondContact O-CA 3.38Å; L487-L495 WeakPolarHBondContact O-CD1 3.43Å; L487-L496 HydrophobicContact CD2-CB 4.35Å; L487-L496 HydrophobicContact CD2-CD1 4.22Å; L487-L496 HydrophobicContact CG-CD1 4.44Å; L487-L496 PolarHBondContact O-N 3.27Å; L487-E497 PolarHBondContact N-O 2.88Å; L487-E497 PolarHBondContact O-N 2.94Å; L487-M532 HydrophobicContact CD1-CE 3.43Å; L487-M532 VanDerWaalsContact CD1-CE 3.43Å; L487-M532 HydrophobicContact CD2-CE 3.86Å; L487-M532 HydrophobicContact CG-CE 4.24Å; L487-W536 HydrophobicContact CD2-CD2 4.36Å; L487-W536 HydrophobicContact CD2-CE3 3.47Å; L487-W536 VanDerWaalsContact CD2-CE3 3.47Å; L487-W536 HydrophobicContact CD2-CH2 3.65Å; L487-W536 HydrophobicContact CD2-CZ2 4.5Å; L487-W536 HydrophobicContact CD2-CZ3 3.06Å; L487-W536 HydrophobicContact CG-CZ3 4.48Å |
| 488 | W | 95.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 153.4 | 176.5 | -56.9 | -94.2 | 0 | 0 | 0 | 111.9 | V441 F455 T456 F463 V475 A477 F486 R494 L495 | V441-W488 HydrophobicContact CG2-CH2 4.16Å; V441-W488 HydrophobicContact CG2-CZ3 4.14Å; F455-W488 HydrophobicContact CB-CD2 3.77Å; F455-W488 HydrophobicContact CB-CE3 4.3Å; F455-W488 HydrophobicContact CB-CG 3.88Å; F455-W488 HydrophobicContact CB-CZ2 4.28Å; F455-W488 HydrophobicContact CD1-CB 3.46Å; F455-W488 VanDerWaalsContact CD1-CB 3.46Å; F455-W488 AromaticContact CD1-CD1 3.84Å; F455-W488 HydrophobicContact CD1-CD2 4.32Å; F455-W488 AromaticContact CD1-CG 3.61Å; F455-W488 HydrophobicContact CD1-CG 3.61Å; F455-W488 HydrophobicContact CE1-CB 3.78Å; F455-W488 HydrophobicContact CE1-CG 4.42Å; F455-W488 HydrophobicContact CG-CB 4.13Å; F455-W488 HydrophobicContact CG-CD2 4.19Å; F455-W488 AromaticContact CG-CG 3.97Å; F455-W488 HydrophobicContact CG-CG 3.97Å; T456-W488 PolarHBondContact O-NE1 2.73Å; F463-W488 AromaticContact CE1-CH2 3.82Å; F463-W488 HydrophobicContact CE1-CH2 3.82Å; F463-W488 HydrophobicContact CE1-CZ2 4.45Å; F463-W488 HydrophobicContact CE2-CH2 4.19Å; F463-W488 AromaticContact CZ-CH2 3.58Å; F463-W488 HydrophobicContact CZ-CH2 3.58Å; F463-W488 AromaticContact CZ-CZ2 3.89Å; F463-W488 HydrophobicContact CZ-CZ2 3.89Å; V475-W488 HydrophobicContact CG1-CE3 4.45Å; V475-W488 PolarHBondContact N-O 2.97Å; V475-W488 PolarHBondContact O-N 3.48Å; A477-W488 HydrophobicContact CB-CH2 3.91Å; A477-W488 HydrophobicContact CB-CZ3 3.55Å; F486-W488 HydrophobicContact CB-CE3 4.3Å; F486-W488 HydrophobicContact CB-CH2 3.24Å; F486-W488 HydrophobicContact CB-CZ2 3.46Å; F486-W488 VanDerWaalsContact CB-CZ2 3.46Å; F486-W488 HydrophobicContact CB-CZ3 3.69Å; F486-W488 HydrophobicContact CG-CH2 4.1Å; F486-W488 HydrophobicContact CG-CZ2 4.11Å; F486-W488 WeakPolarHBondContact O-CZ3 3.05Å; W488-R494 WeakPolarHBondContact CA-O 3.5Å; W488-L495 VanDerWaalsContact CD1-CA 3.43Å; W488-L495 HydrophobicContact CD2-CD1 4.14Å; W488-L495 HydrophobicContact CG-CD1 4.2Å; W488-L495 HydrophobicContact CZ2-CD1 4.26Å |
| 489 | S | 94.1 | Very high | 92.1 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 11% | 0.112 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 125.5 | 166.6 | 164.6 | 0 | 0 | 0 | 0 | 110 | E473 Q491 T492 G493 R494 | E473-S489 CarbonylContact O-C 3.59Å; E473-S489 WeakPolarHBondContact O-CA 3.44Å; S489-Q491 PolarHBondContact O-N 2.95Å; S489-T492 WeakPolarHBondContact CB-OG1 3.33Å; S489-T492 PolarHBondContact OG-N 3.48Å; S489-T492 PolarHBondContact OG-OG1 3.12Å; S489-T492 VanDerWaalsContact OG-OG1 3.07Å; S489-G493 WeakPolarHBondContact O-CA 3.49Å; S489-G493 PolarHBondContact O-N 3.15Å; S489-R494 PolarHBondContact N-O 2.8Å |
| 490 | M | 92.3 | Very high | 92.1 | Very high | 15 Ų | 15 | 54.8 Ų | 54.8 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -41.1 | 179.8 | -176.5 | 63.4 | 81.8 | 0 | 0 | 112.3 | V431 V433 A443 F452 F455 G472 E473 V475 | V431-M490 HydrophobicContact CG1-CE 4.25Å; V433-M490 HydrophobicContact CG2-CE 3.48Å; V433-M490 VanDerWaalsContact CG2-CE 3.48Å; A443-M490 HydrophobicContact CB-CE 4.11Å; A443-M490 HydrophobicContact CB-SD 3.8Å; F452-M490 HydrophobicContact CE2-SD 4.25Å; F452-M490 HydrophobicContact CZ-SD 3.9Å; F455-M490 HydrophobicContact CE2-SD 4.19Å; F455-M490 HydrophobicContact CZ-CE 4.49Å; F455-M490 HydrophobicContact CZ-SD 3.74Å; G472-M490 WeakPolarHBondContact O-CB 3.42Å; E473-M490 WeakPolarHBondContact O-CB 3.28Å; E473-M490 PolarHBondContact O-N 2.76Å; V475-M490 HydrophobicContact CG2-CB 4.36Å; V475-M490 HydrophobicContact CG2-CE 3.33Å; V475-M490 HydrophobicContact CG2-SD 4.29Å |
| 491 | Q | 90.9 | Very high | 92 | Very high | 124 Ų | 124 | 52.5 Ų | 52.5 | 58% | 0.579 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -49.2 | -177.7 | -64.8 | 176.6 | 7.2 | 0 | 0 | 111.3 | R453 E473 S489 | R453-Q491 PolarHBondContact NH2-O 2.8Å; E473-Q491 PolarHBondContact OE1-NE2 3.49Å; S489-Q491 PolarHBondContact O-N 2.95Å |
| 492 | T | 91.1 | Very high | 92.3 | Very high | 77 Ų | 77 | 48.9 Ų | 48.9 | 47% | 0.472 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -24.8 | -173.7 | 64.6 | 0 | 0 | 0 | 0 | 113.5 | S489 R494 | S489-T492 WeakPolarHBondContact CB-OG1 3.33Å; S489-T492 PolarHBondContact OG-N 3.48Å; S489-T492 PolarHBondContact OG-OG1 3.12Å; S489-T492 VanDerWaalsContact OG-OG1 3.07Å; T492-R494 PolarHBondContact O-N 2.9Å; T492-R494 PolarHBondContact OG1-N 3.45Å |
| 493 | G | 90.2 | Very high | 92.5 | Very high | 25 Ų | 25 | 54.8 Ų | 54.8 | 26% | 0.258 | 29% | 0.29 | S | S | . | . | trans | 76.3 | 0.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S489 | S489-G493 WeakPolarHBondContact O-CA 3.49Å; S489-G493 PolarHBondContact O-N 3.15Å | ||
| 494 | R | 92.3 | Very high | 92.5 | Very high | 189 Ų | 189 | 51.5 Ų | 51.5 | 71% | 0.713 | 28% | 0.278 | S | S | * | . | trans | -86.5 | 145.3 | -175.8 | -65.1 | -175.9 | 179.8 | 178.5 | 0.6 | 111 | W488 S489 T492 L496 | W488-R494 WeakPolarHBondContact CA-O 3.5Å; S489-R494 PolarHBondContact N-O 2.8Å; T492-R494 PolarHBondContact O-N 2.9Å; T492-R494 PolarHBondContact OG1-N 3.45Å; R494-L496 PolarHBondContact O-N 2.91Å | ||
| 495 | L | 94 | Very high | 92.6 | Very high | 57 Ų | 57 | 49.5 Ų | 49.5 | 30% | 0.298 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 122.6 | 165.3 | -175.8 | 74.9 | 0 | 0 | 0 | 107.6 | P458 F486 L487 W488 V498 | P458-L495 HydrophobicContact CG-CD2 3.71Å; F486-L495 HydrophobicContact CB-CD1 3.98Å; F486-L495 HydrophobicContact CD1-CD1 3.89Å; F486-L495 HydrophobicContact CD1-CD2 4.41Å; F486-L495 HydrophobicContact CG-CD1 4.45Å; L487-L495 WeakPolarHBondContact O-CD1 3.43Å; W488-L495 VanDerWaalsContact CD1-CA 3.43Å; W488-L495 HydrophobicContact CD2-CD1 4.14Å; W488-L495 HydrophobicContact CG-CD1 4.2Å; W488-L495 HydrophobicContact CZ2-CD1 4.26Å; L495-V498 HydrophobicContact CD2-CG2 3.81Å; L495-V498 HydrophobicContact CG-CG2 4.5Å |
| 496 | L | 92.1 | Very high | 92.6 | Very high | 72 Ų | 72 | 49.5 Ų | 49.5 | 38% | 0.377 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -58.9 | 176.5 | -65.4 | 176.9 | 0 | 0 | 0 | 109.4 | L474 L487 R494 | L474-L496 HydrophobicContact CD2-CD1 3.42Å; L474-L496 VanDerWaalsContact CD2-CD1 3.42Å; L487-L496 HydrophobicContact CD2-CB 4.35Å; L487-L496 HydrophobicContact CD2-CD1 4.22Å; L487-L496 HydrophobicContact CG-CD1 4.44Å; L487-L496 PolarHBondContact O-N 3.27Å; R494-L496 PolarHBondContact O-N 2.91Å |
| 497 | E | 91.9 | Very high | 92.4 | Very high | 97 Ų | 97 | 50.5 Ų | 50.5 | 45% | 0.453 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 160.1 | -174.2 | -81.2 | -58.6 | 160.9 | 0 | 0 | 112.3 | L487 W536 | L487-E497 PolarHBondContact N-O 2.88Å; L487-E497 PolarHBondContact O-N 2.94Å; E497-W536 HydrophobicContact CG-CG 4.38Å |
| 498 | V | 93.8 | Very high | 92.4 | Very high | 49 Ų | 49 | 51.1 Ų | 51.1 | 30% | 0.297 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 106.7 | 172.2 | -175.7 | 0 | 0 | 0 | 0 | 108 | E484 F486 L495 G500 | E484-V498 HydrophobicContact CB-CG1 3.69Å; E484-V498 HydrophobicContact CG-CG1 3.88Å; F486-V498 HydrophobicContact CD1-CG1 4.31Å; F486-V498 HydrophobicContact CD1-CG2 3.83Å; F486-V498 HydrophobicContact CE1-CG1 4.03Å; F486-V498 HydrophobicContact CE1-CG2 3.86Å; F486-V498 HydrophobicContact CZ-CG1 4.42Å; L495-V498 HydrophobicContact CD2-CG2 3.81Å; L495-V498 HydrophobicContact CG-CG2 4.5Å; V498-G500 PolarHBondContact O-N 3.41Å |
| 499 | L | 92.1 | Very high | 92.4 | Very high | 9 Ų | 9 | 51.5 Ų | 51.5 | 5% | 0.047 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 107.1 | -178.8 | -49.6 | 175.1 | 0 | 0 | 0 | 109 | I485 L518 W530 M532 W536 | I485-L499 HydrophobicContact CB-CB 4.14Å; I485-L499 HydrophobicContact CB-CD1 4.41Å; I485-L499 HydrophobicContact CG2-CD1 4.34Å; I485-L499 PolarHBondContact N-O 2.76Å; I485-L499 VanDerWaalsContact N-O 3.08Å; I485-L499 PolarHBondContact O-N 3.12Å; L499-L518 HydrophobicContact CD1-CD2 4.28Å; L499-W530 HydrophobicContact CB-CE3 4.13Å; L499-W530 HydrophobicContact CB-CH2 4.03Å; L499-W530 HydrophobicContact CB-CZ2 4.45Å; L499-W530 HydrophobicContact CB-CZ3 3.84Å; L499-W530 HydrophobicContact CD1-CD2 4.02Å; L499-W530 HydrophobicContact CD1-CE3 4.07Å; L499-W530 HydrophobicContact CD1-CG 4.21Å; L499-W530 HydrophobicContact CD2-CE3 4.24Å; L499-W530 HydrophobicContact CD2-CZ3 4.44Å; L499-W530 HydrophobicContact CG-CE3 4.38Å; L499-M532 HydrophobicContact CD1-CE 4.43Å; L499-M532 HydrophobicContact CD1-SD 4.43Å; L499-W536 HydrophobicContact CD2-CB 4.06Å; L499-W536 WeakPolarHBondContact CD2-O 3.34Å |
| 500 | G | 90.1 | Very high | 92.4 | Very high | 47 Ų | 47 | 52.1 Ų | 52.1 | 49% | 0.485 | 29% | 0.289 | S | S | . | . | trans | -98.1 | 144.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V498 | V498-G500 PolarHBondContact O-N 3.41Š| ||
| 501 | G | 87 | Confident | 92.5 | Very high | 36 Ų | 36 | 52.1 Ų | 52.1 | 37% | 0.371 | 29% | 0.288 | S | S | . | . | trans | 157.3 | -23.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R528 | G501-R528 VanDerWaalsContact C-CZ 3.4Å; G501-R528 PolarHBondContact O-NH1 3.05Å; G501-R528 PolarHBondContact O-NH2 3.39Å | ||
| 502 | H | 93 | Very high | 92.6 | Very high | 17 Ų | 17 | 46.3 Ų | 46.3 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | trans | -67.3 | 145.6 | 172.8 | -79.8 | -64.3 | 0 | 0 | 0 | 111.6 | S520 S522 D524 | H502-S520 PolarHBondContact NE2-OG 2.77Å; H502-S522 VanDerWaalsContact ND1-CB 3.26Å; H502-S522 WeakPolarHBondContact ND1-CB 3.42Å; H502-D524 WeakPolarHBondContact CA-OD2 3.26Å; H502-D524 IonicContact CE1-OD2 2.95Å; H502-D524 IonicContact CG-OD2 3.89Å; H502-D524 IonicContact ND1-OD1 2.75Å; H502-D524 IonicContact ND1-OD2 3.85Å; H502-D524 PolarHBondContact ND1-OD2 2.96Å | ||
| 503 | E | 92.4 | Very high | 92.4 | Very high | 168 Ų | 168 | 45.1 Ų | 45.1 | 79% | 0.785 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -98 | -0.1 | 179.4 | -63.8 | -175.7 | 171.2 | 0 | 0 | 112.7 | D524 | E503-D524 HydrophobicContact CB-CB 4.06Å; E503-D524 PolarHBondContact N-OD2 3.32Å; E503-D524 VanDerWaalsContact N-OD2 3.13Å |
| 504 | G | 92.6 | Very high | 92.2 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -151.6 | 175.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | F483 V506 S522 | F483-G504 WeakPolarHBondContact CB-O 3.15Å; G504-V506 PolarHBondContact O-N 2.99Å; G504-S522 PolarHBondContact O-OG 3.23Å |
| 505 | P | 93.9 | Very high | 91.8 | Very high | 26 Ų | 26 | 43.5 Ų | 43.5 | 17% | 0.169 | 26% | 0.256 | C | S | . | . | trans | -53.6 | 133.5 | -176.3 | -25 | 31.4 | 0 | 0 | 0 | 113 | Q480 F483 S507 S522 W523 | Q480-P505 HydrophobicContact CG-CB 4.44Å; F483-P505 HydrophobicContact CD1-CB 4.27Å; F483-P505 HydrophobicContact CD1-CG 3.93Å; F483-P505 HydrophobicContact CE1-CB 4.43Å; F483-P505 HydrophobicContact CE1-CG 3.64Å; P505-S507 PolarHBondContact O-N 3.07Å; P505-S522 WeakPolarHBondContact O-CA 3.5Å; P505-S522 PolarHBondContact O-OG 2.89Å; P505-W523 HydrophobicContact CG-CE3 4.23Å; P505-W523 PolarHBondContact O-N 3.02Å | ||
| 506 | V | 94.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 116.1 | 173.3 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | S464 I485 G504 L509 A521 | S464-V506 PolarHBondContact OG-O 3.18Å; I485-V506 HydrophobicContact CD1-CG2 4.38Å; I485-V506 HydrophobicContact CG1-CG1 4.3Å; I485-V506 HydrophobicContact CG1-CG2 3.88Å; G504-V506 PolarHBondContact O-N 2.99Å; V506-L509 HydrophobicContact CG1-CD2 3.83Å; V506-L509 HydrophobicContact CG1-CG 4.03Å; V506-A521 WeakPolarHBondContact CA-O 3.35Å |
| 507 | S | 93 | Very high | 91.4 | Very high | 27 Ų | 27 | 38.9 Ų | 38.9 | 19% | 0.189 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -36.7 | -176 | 58.2 | 0 | 0 | 0 | 0 | 112.1 | P505 A521 G548 L549 | P505-S507 PolarHBondContact O-N 3.07Å; S507-A521 PolarHBondContact N-O 3.32Å; S507-A521 PolarHBondContact OG-O 2.89Å; S507-G548 WeakPolarHBondContact CB-O 3.3Å; S507-G548 PolarHBondContact OG-O 2.89Å; S507-L549 WeakPolarHBondContact CB-O 3.09Å; S507-L549 PolarHBondContact OG-O 2.83Å |
| 508 | S | 93.8 | Very high | 91.5 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 10% | 0.098 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 143.3 | -173.5 | -167.4 | 0 | 0 | 0 | 0 | 111.8 | A521 V551 | S508-A521 PolarHBondContact O-N 3.46Å; S508-V551 PolarHBondContact OG-N 3.48Å |
| 509 | L | 95.6 | Very high | 91.6 | Very high | 9 Ų | 9 | 32 Ų | 32 | 5% | 0.047 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140 | 175.6 | -68.2 | 175.6 | 0 | 0 | 0 | 108.7 | A467 I485 V506 L518 A519 S520 | A467-L509 HydrophobicContact CB-CB 3.78Å; I485-L509 HydrophobicContact CD1-CD2 3.83Å; I485-L509 HydrophobicContact CG1-CD2 4.17Å; I485-L509 HydrophobicContact CG2-CD1 3.92Å; I485-L509 HydrophobicContact CG2-CD2 4.23Å; V506-L509 HydrophobicContact CG1-CD2 3.83Å; V506-L509 HydrophobicContact CG1-CG 4.03Å; L509-L518 HydrophobicContact CB-CD1 4.3Å; L509-L518 HydrophobicContact CD2-CD1 4.32Å; L509-L518 HydrophobicContact CD2-CD2 4.33Å; L509-L518 HydrophobicContact CD2-CG 4.46Å; L509-A519 WeakPolarHBondContact CA-O 3.08Å; L509-S520 VanDerWaalsContact CD2-CB 3.45Å |
| 510 | C | 94.8 | Very high | 91.8 | Very high | 28 Ų | 28 | 31.5 Ų | 31.5 | 19% | 0.189 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 129.4 | 174.6 | -166 | 0 | 0 | 0 | 0 | 109.7 | A519 V551 Y553 | C510-A519 PolarHBondContact N-O 2.98Å; C510-A519 PolarHBondContact O-N 2.8Å; C510-V551 HydrophobicContact CB-CG1 4.31Å; C510-Y553 HydrophobicContact CB-CD2 4.1Å; C510-Y553 WeakPolarHBondContact O-CE2 3.49Å |
| 511 | F | 94.1 | Very high | 92 | Very high | 15 Ų | 15 | 29.3 Ų | 29.3 | 7% | 0.066 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 146.9 | 169.8 | -83.3 | -84.7 | 0 | 0 | 0 | 110.5 | A467 V468 D469 S476 L518 M532 Y553 | A467-F511 HydrophobicContact CB-CD2 3.56Å; A467-F511 HydrophobicContact CB-CE2 3.97Å; V468-F511 WeakPolarHBondContact O-CD2 3.23Å; D469-F511 HydrophobicContact CB-CD1 4.15Å; D469-F511 HydrophobicContact CB-CE1 3.99Å; D469-F511 HydrophobicContact CB-CE2 4.44Å; D469-F511 HydrophobicContact CB-CG 4.42Å; D469-F511 HydrophobicContact CB-CZ 4.16Å; S476-F511 VanDerWaalsContact OG-CE2 3.26Å; S476-F511 WeakPolarHBondContact OG-CE2 3.15Å; F511-L518 HydrophobicContact CD1-CB 4.15Å; F511-L518 HydrophobicContact CD1-CD1 4.29Å; F511-L518 HydrophobicContact CD2-CD1 3.87Å; F511-L518 HydrophobicContact CE1-CB 3.94Å; F511-L518 HydrophobicContact CE1-CD1 4.27Å; F511-L518 HydrophobicContact CE2-CD1 3.84Å; F511-L518 HydrophobicContact CG-CD1 4.1Å; F511-L518 HydrophobicContact CZ-CB 4.33Å; F511-L518 HydrophobicContact CZ-CD1 4.04Å; F511-M532 HydrophobicContact CE1-CE 3.93Å; F511-M532 HydrophobicContact CE1-CG 4Å; F511-M532 HydrophobicContact CZ-CE 3.82Å; F511-Y553 VanDerWaalsContact C-CD2 3.5Å; F511-Y553 VanDerWaalsContact O-CD2 3.3Å; F511-Y553 WeakPolarHBondContact O-CD2 3.45Å |
| 512 | S | 91.9 | Very high | 92.4 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | trans | -67.1 | 137.8 | 169.1 | 167.2 | 0 | 0 | 0 | 0 | 109.9 | V470 V514 Q515 I517 | V470-S512 WeakPolarHBondContact CG2-O 3.44Å; S512-V514 PolarHBondContact O-N 2.85Å; S512-Q515 CarbonylContact C-O 3.32Å; S512-Q515 WeakPolarHBondContact CB-O 3.36Å; S512-Q515 PolarHBondContact OG-N 2.81Å; S512-Q515 PolarHBondContact OG-O 2.84Å; S512-I517 PolarHBondContact N-O 3.43Å | ||
| 513 | P | 86.9 | Confident | 92.5 | Very high | 52 Ų | 52 | 32.8 Ų | 32.8 | 34% | 0.338 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -75 | -11.8 | -177.6 | 29 | -34.7 | 0 | 0 | 0 | 113.8 | V470 R554 P555 | V470-P513 WeakPolarHBondContact CG2-O 3.33Å; P513-R554 WeakPolarHBondContact CG-O 3.4Å; P513-P555 WeakPolarHBondContact CG-O 3.35Å |
| 514 | V | 85.9 | Confident | 92.5 | Very high | 101 Ų | 101 | 26 Ų | 26 | 61% | 0.612 | 14% | 0.143 | S | C | * | . | S | Bend | trans | -117.1 | -38.7 | -176.4 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | S512 | S512-V514 PolarHBondContact O-N 2.85Š|
| 515 | Q | 85.2 | Confident | 92.6 | Very high | 79 Ų | 79 | 32.6 Ų | 32.6 | 37% | 0.369 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -114 | 148.3 | -178.8 | -61.9 | 178.6 | -6.2 | 0 | 0 | 108.9 | S512 I517 | S512-Q515 CarbonylContact C-O 3.32Å; S512-Q515 WeakPolarHBondContact CB-O 3.36Å; S512-Q515 PolarHBondContact OG-N 2.81Å; S512-Q515 PolarHBondContact OG-O 2.84Å; Q515-I517 HydrophobicContact CB-CD1 4.25Å; Q515-I517 HydrophobicContact CB-CG1 4.09Å; Q515-I517 PolarHBondContact O-N 2.8Å |
| 516 | S | 86.5 | Confident | 92.7 | Very high | 26 Ų | 26 | 32.9 Ų | 32.9 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -78.4 | 55 | 173.6 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | D469 M532 | D469-S516 PolarHBondContact OD1-OG 2.78Å; S516-M532 WeakPolarHBondContact O-CB 3.33Å; S516-M532 VanDerWaalsContact O-CG 3.29Å; S516-M532 WeakPolarHBondContact O-CG 3.46Å; S516-M532 PolarHBondContact O-N 3.08Å |
| 517 | I | 91.3 | Very high | 92.7 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 128.2 | 173.1 | -61.3 | 178.4 | 0 | 0 | 0 | 108 | S512 Q515 L529 W530 K539 | S512-I517 PolarHBondContact N-O 3.43Å; Q515-I517 HydrophobicContact CB-CD1 4.25Å; Q515-I517 HydrophobicContact CB-CG1 4.09Å; Q515-I517 PolarHBondContact O-N 2.8Å; I517-L529 HydrophobicContact CG2-CB 4.14Å; I517-L529 HydrophobicContact CG2-CD2 4.46Å; I517-W530 WeakPolarHBondContact CA-O 3.42Å; I517-W530 WeakPolarHBondContact CG2-O 3.45Å; I517-K539 HydrophobicContact CD1-CD 4.36Å |
| 518 | L | 94.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 129.7 | 174.1 | 176.5 | 67.6 | 0 | 0 | 0 | 109.5 | A467 I485 L499 L509 F511 L529 W530 M532 | A467-L518 HydrophobicContact CB-CD1 4.22Å; I485-L518 HydrophobicContact CG2-CD2 4.24Å; L499-L518 HydrophobicContact CD1-CD2 4.28Å; L509-L518 HydrophobicContact CB-CD1 4.3Å; L509-L518 HydrophobicContact CD2-CD1 4.32Å; L509-L518 HydrophobicContact CD2-CD2 4.33Å; L509-L518 HydrophobicContact CD2-CG 4.46Å; F511-L518 HydrophobicContact CD1-CB 4.15Å; F511-L518 HydrophobicContact CD1-CD1 4.29Å; F511-L518 HydrophobicContact CD2-CD1 3.87Å; F511-L518 HydrophobicContact CE1-CB 3.94Å; F511-L518 HydrophobicContact CE1-CD1 4.27Å; F511-L518 HydrophobicContact CE2-CD1 3.84Å; F511-L518 HydrophobicContact CG-CD1 4.1Å; F511-L518 HydrophobicContact CZ-CB 4.33Å; F511-L518 HydrophobicContact CZ-CD1 4.04Å; L518-L529 CarbonylContact O-C 3.54Å; L518-L529 WeakPolarHBondContact O-CA 2.99Å; L518-W530 HydrophobicContact CB-CB 4.23Å; L518-W530 PolarHBondContact N-O 3.24Å; L518-W530 PolarHBondContact O-N 3.14Å; L518-M532 HydrophobicContact CB-CE 4.09Å; L518-M532 HydrophobicContact CB-CG 4.19Å; L518-M532 HydrophobicContact CB-SD 4.04Å; L518-M532 HydrophobicContact CD2-CE 3.85Å; L518-M532 HydrophobicContact CD2-SD 4.47Å |
| 519 | A | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 129.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110 | L509 C510 V527 R528 L529 V551 Y553 L560 | L509-A519 WeakPolarHBondContact CA-O 3.08Å; C510-A519 PolarHBondContact N-O 2.98Å; C510-A519 PolarHBondContact O-N 2.8Å; A519-V527 HydrophobicContact CB-CG1 4.5Å; A519-R528 WeakPolarHBondContact CA-O 3.48Å; A519-L529 HydrophobicContact CB-CD2 3.73Å; A519-V551 HydrophobicContact CB-CG1 3.89Å; A519-Y553 HydrophobicContact CB-CE2 3.54Å; A519-L560 HydrophobicContact CB-CD1 3.96Å; A519-L560 HydrophobicContact CB-CD2 4.27Å |
| 520 | S | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 129.7 | 174.7 | 61.7 | 0 | 0 | 0 | 0 | 111.4 | H502 L509 V527 R528 W530 | H502-S520 PolarHBondContact NE2-OG 2.77Å; L509-S520 VanDerWaalsContact CD2-CB 3.45Å; S520-V527 CarbonylContact O-C 3.44Å; S520-V527 WeakPolarHBondContact O-CA 3.33Å; S520-V527 WeakPolarHBondContact O-CG1 3.29Å; S520-R528 PolarHBondContact N-O 2.98Å; S520-R528 PolarHBondContact O-N 3.3Å; S520-R528 PolarHBondContact OG-O 3.1Å; S520-W530 PolarHBondContact OG-NE1 2.8Å |
| 521 | A | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 143.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V506 S507 S508 V527 V551 | V506-A521 WeakPolarHBondContact CA-O 3.35Å; S507-A521 PolarHBondContact N-O 3.32Å; S507-A521 PolarHBondContact OG-O 2.89Å; S508-A521 PolarHBondContact O-N 3.46Å; A521-V527 HydrophobicContact CB-CG2 4.12Å; A521-V551 HydrophobicContact CB-CB 4.48Å; A521-V551 HydrophobicContact CB-CG2 3.23Å |
| 522 | S | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 162.7 | 177.1 | 173 | 0 | 0 | 0 | 0 | 111.6 | H502 G504 P505 D524 R525 T526 G548 | H502-S522 VanDerWaalsContact ND1-CB 3.26Å; H502-S522 WeakPolarHBondContact ND1-CB 3.42Å; G504-S522 PolarHBondContact O-OG 3.23Å; P505-S522 WeakPolarHBondContact O-CA 3.5Å; P505-S522 PolarHBondContact O-OG 2.89Å; S522-D524 VanDerWaalsContact CB-OD1 3.32Å; S522-D524 WeakPolarHBondContact CB-OD1 3.32Å; S522-D524 PolarHBondContact O-N 3.4Å; S522-D524 PolarHBondContact OG-N 2.64Å; S522-R525 PolarHBondContact O-N 3.3Å; S522-T526 PolarHBondContact N-O 2.95Å; S522-G548 PolarHBondContact O-N 2.97Å |
| 523 | W | 94.4 | Very high | 91.5 | Very high | 126 Ų | 126 | 38.9 Ų | 38.9 | 48% | 0.477 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -4.9 | 170.5 | -65.4 | 5.2 | 0 | 0 | 0 | 113.2 | P505 R525 D547 | P505-W523 HydrophobicContact CG-CE3 4.23Å; P505-W523 PolarHBondContact O-N 3.02Å; W523-R525 PolarHBondContact O-N 2.9Å; W523-R525 VanDerWaalsContact O-N 3.11Å; W523-D547 HydrophobicContact CB-CB 4.23Å; W523-D547 HydrophobicContact CG-CB 4.34Å |
| 524 | D | 94.3 | Very high | 90.9 | Very high | 26 Ų | 26 | 43.4 Ų | 43.4 | 14% | 0.139 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 3.8 | 170 | 67.3 | 10.6 | 0 | 0 | 0 | 114.1 | H502 E503 S522 T526 | H502-D524 WeakPolarHBondContact CA-OD2 3.26Å; H502-D524 IonicContact CE1-OD2 2.95Å; H502-D524 IonicContact CG-OD2 3.89Å; H502-D524 IonicContact ND1-OD1 2.75Å; H502-D524 IonicContact ND1-OD2 3.85Å; H502-D524 PolarHBondContact ND1-OD2 2.96Å; E503-D524 HydrophobicContact CB-CB 4.06Å; E503-D524 PolarHBondContact N-OD2 3.32Å; E503-D524 VanDerWaalsContact N-OD2 3.13Å; S522-D524 VanDerWaalsContact CB-OD1 3.32Å; S522-D524 WeakPolarHBondContact CB-OD1 3.32Å; S522-D524 PolarHBondContact O-N 3.4Å; S522-D524 PolarHBondContact OG-N 2.64Å; D524-T526 VanDerWaalsContact C-N 3.28Å; D524-T526 WeakPolarHBondContact OD1-CA 3.38Å; D524-T526 WeakPolarHBondContact OD1-CB 3.38Å; D524-T526 PolarHBondContact OD1-N 2.76Å; D524-T526 PolarHBondContact OD1-OG1 3Å; D524-T526 PolarHBondContact OD2-OG1 2.85Å |
| 525 | R | 94.7 | Very high | 90.1 | Very high | 145 Ų | 145 | 41.2 Ų | 41.2 | 55% | 0.547 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 66.9 | 27.6 | -176.4 | -48 | 170.3 | -74.1 | -179.2 | -5.2 | 112.6 | S522 W523 L544 D547 | S522-R525 PolarHBondContact O-N 3.3Å; W523-R525 PolarHBondContact O-N 2.9Å; W523-R525 VanDerWaalsContact O-N 3.11Å; R525-L544 WeakPolarHBondContact O-CA 3.43Å; R525-L544 VanDerWaalsContact O-CB 3.32Å; R525-L544 WeakPolarHBondContact O-CB 3.46Å; R525-L544 PolarHBondContact O-N 3.48Å; R525-D547 WeakPolarHBondContact CG-OD1 3.38Å |
| 526 | T | 94.8 | Very high | 89.9 | Confident | 32 Ų | 32 | 41.3 Ų | 41.3 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 150 | 174.9 | 75.3 | 0 | 0 | 0 | 0 | 111.8 | S522 D524 L542 | S522-T526 PolarHBondContact N-O 2.95Å; D524-T526 VanDerWaalsContact C-N 3.28Å; D524-T526 WeakPolarHBondContact OD1-CA 3.38Å; D524-T526 WeakPolarHBondContact OD1-CB 3.38Å; D524-T526 PolarHBondContact OD1-N 2.76Å; D524-T526 PolarHBondContact OD1-OG1 3Å; D524-T526 PolarHBondContact OD2-OG1 2.85Å; T526-L542 WeakPolarHBondContact CA-O 3.19Å |
| 527 | V | 95.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.1 | 159.7 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | A519 S520 A521 L542 L544 V551 L560 V562 | A519-V527 HydrophobicContact CB-CG1 4.5Å; S520-V527 CarbonylContact O-C 3.44Å; S520-V527 WeakPolarHBondContact O-CA 3.33Å; S520-V527 WeakPolarHBondContact O-CG1 3.29Å; A521-V527 HydrophobicContact CB-CG2 4.12Å; V527-L542 HydrophobicContact CB-CB 4.17Å; V527-L542 HydrophobicContact CB-CD1 4.33Å; V527-L542 HydrophobicContact CG1-CD1 4.34Å; V527-L542 PolarHBondContact N-O 3.34Å; V527-L542 PolarHBondContact O-N 2.8Å; V527-L544 HydrophobicContact CG2-CD1 3.79Å; V527-L544 HydrophobicContact CG2-CD2 4.13Å; V527-L544 HydrophobicContact CG2-CG 4.12Å; V527-V551 HydrophobicContact CG1-CG2 4.44Å; V527-V551 HydrophobicContact CG2-CG2 4.28Å; V527-L560 HydrophobicContact CG1-CD2 4.02Å; V527-V562 HydrophobicContact CG2-CB 4.49Å; V527-V562 HydrophobicContact CG2-CG1 3.81Å; V527-V562 HydrophobicContact CG2-CG2 3.91Å |
| 528 | R | 95 | Very high | 89.5 | Confident | 42 Ų | 42 | 48.4 Ų | 48.4 | 16% | 0.158 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 137.2 | 176.8 | -60.2 | -171.4 | 178.8 | -162.6 | 3.1 | 110.3 | G501 A519 S520 W530 V538 T541 | G501-R528 VanDerWaalsContact C-CZ 3.4Å; G501-R528 PolarHBondContact O-NH1 3.05Å; G501-R528 PolarHBondContact O-NH2 3.39Å; A519-R528 WeakPolarHBondContact CA-O 3.48Å; S520-R528 PolarHBondContact N-O 2.98Å; S520-R528 PolarHBondContact O-N 3.3Å; S520-R528 PolarHBondContact OG-O 3.1Å; R528-W530 HydrophobicContact CB-CZ2 4.11Å; R528-V538 HydrophobicContact CB-CG1 4.29Å; R528-T541 HydrophobicContact CG-CG2 4.02Å |
| 529 | L | 94.4 | Very high | 89 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 123 | 171.8 | -59.5 | -178 | 0 | 0 | 0 | 108.1 | I517 L518 A519 V538 K539 E540 L560 P574 | I517-L529 HydrophobicContact CG2-CB 4.14Å; I517-L529 HydrophobicContact CG2-CD2 4.46Å; L518-L529 CarbonylContact O-C 3.54Å; L518-L529 WeakPolarHBondContact O-CA 2.99Å; A519-L529 HydrophobicContact CB-CD2 3.73Å; L529-V538 CarbonylContact O-C 3.57Å; L529-K539 WeakPolarHBondContact O-CB 3.43Å; L529-K539 PolarHBondContact O-N 3.17Å; L529-E540 PolarHBondContact N-O 3.48Å; L529-E540 PolarHBondContact O-N 3.11Å; L529-L560 HydrophobicContact CD2-CD2 4.37Å; L529-P574 HydrophobicContact CD1-CB 3.84Å |
| 530 | W | 92.8 | Very high | 88.8 | Confident | 6 Ų | 6 | 56 Ų | 56 | 2% | 0.023 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.7 | -179.4 | -51.4 | 83.8 | 0 | 0 | 0 | 109.2 | I485 L499 I517 L518 S520 R528 M532 V538 | I485-W530 HydrophobicContact CD1-CZ2 4.23Å; L499-W530 HydrophobicContact CB-CE3 4.13Å; L499-W530 HydrophobicContact CB-CH2 4.03Å; L499-W530 HydrophobicContact CB-CZ2 4.45Å; L499-W530 HydrophobicContact CB-CZ3 3.84Å; L499-W530 HydrophobicContact CD1-CD2 4.02Å; L499-W530 HydrophobicContact CD1-CE3 4.07Å; L499-W530 HydrophobicContact CD1-CG 4.21Å; L499-W530 HydrophobicContact CD2-CE3 4.24Å; L499-W530 HydrophobicContact CD2-CZ3 4.44Å; L499-W530 HydrophobicContact CG-CE3 4.38Å; I517-W530 WeakPolarHBondContact CA-O 3.42Å; I517-W530 WeakPolarHBondContact CG2-O 3.45Å; L518-W530 HydrophobicContact CB-CB 4.23Å; L518-W530 PolarHBondContact N-O 3.24Å; L518-W530 PolarHBondContact O-N 3.14Å; S520-W530 PolarHBondContact OG-NE1 2.8Å; R528-W530 HydrophobicContact CB-CZ2 4.11Å; W530-M532 HydrophobicContact CB-SD 4.07Å; W530-V538 HydrophobicContact CD2-CG2 4.14Å; W530-V538 HydrophobicContact CE3-CB 4.44Å; W530-V538 HydrophobicContact CE3-CG2 3.62Å; W530-V538 HydrophobicContact CH2-CG2 3.38Å; W530-V538 HydrophobicContact CZ2-CG2 3.9Å; W530-V538 HydrophobicContact CZ3-CB 4.41Å; W530-V538 HydrophobicContact CZ3-CG2 3.23Å |
| 531 | D | 89.8 | Confident | 88.7 | Confident | 34 Ų | 34 | 59.9 Ų | 59.9 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 117.6 | 173.6 | -156.7 | -31 | 0 | 0 | 0 | 109.7 | L533 W536 Q537 K539 | D531-L533 PolarHBondContact OD1-N 2.98Å; D531-W536 WeakPolarHBondContact O-CA 3.48Å; D531-W536 PolarHBondContact O-N 2.91Å; D531-Q537 PolarHBondContact N-O 2.79Å; D531-K539 HydrophobicContact CB-CB 4.46Å |
| 532 | M | 85.7 | Confident | 88.6 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -11.5 | -171.6 | -52.5 | -64.1 | -98.4 | 0 | 0 | 112.6 | L474 L487 L499 F511 S516 L518 W530 W536 | L474-M532 HydrophobicContact CD1-CB 4.31Å; L487-M532 HydrophobicContact CD1-CE 3.43Å; L487-M532 VanDerWaalsContact CD1-CE 3.43Å; L487-M532 HydrophobicContact CD2-CE 3.86Å; L487-M532 HydrophobicContact CG-CE 4.24Å; L499-M532 HydrophobicContact CD1-CE 4.43Å; L499-M532 HydrophobicContact CD1-SD 4.43Å; F511-M532 HydrophobicContact CE1-CE 3.93Å; F511-M532 HydrophobicContact CE1-CG 4Å; F511-M532 HydrophobicContact CZ-CE 3.82Å; S516-M532 WeakPolarHBondContact O-CB 3.33Å; S516-M532 VanDerWaalsContact O-CG 3.29Å; S516-M532 WeakPolarHBondContact O-CG 3.46Å; S516-M532 PolarHBondContact O-N 3.08Å; L518-M532 HydrophobicContact CB-CE 4.09Å; L518-M532 HydrophobicContact CB-CG 4.19Å; L518-M532 HydrophobicContact CB-SD 4.04Å; L518-M532 HydrophobicContact CD2-CE 3.85Å; L518-M532 HydrophobicContact CD2-SD 4.47Å; W530-M532 HydrophobicContact CB-SD 4.07Å; M532-W536 HydrophobicContact CB-CE3 4.13Å; M532-W536 HydrophobicContact CB-CZ3 3.67Å; M532-W536 HydrophobicContact CE-CE3 4.34Å; M532-W536 HydrophobicContact CE-CZ3 4.1Å; M532-W536 HydrophobicContact CG-CZ3 4.38Å; M532-W536 WeakPolarHBondContact O-CH2 3.31Å; M532-W536 WeakPolarHBondContact O-CZ3 3.47Å; M532-W536 HydrophobicContact SD-CE3 3.87Å; M532-W536 HydrophobicContact SD-CZ3 4.01Å |
| 533 | L | 79.8 | Confident | 88.5 | Confident | 136 Ų | 136 | 64.3 Ų | 64.3 | 71% | 0.712 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -38.4 | -177.9 | -73.3 | 164.5 | 0 | 0 | 0 | 112.6 | D531 | D531-L533 PolarHBondContact OD1-N 2.98Š|
| 534 | D | 74.1 | Confident | 88.5 | Confident | 147 Ų | 147 | 59.4 Ų | 59.4 | 79% | 0.786 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -54.4 | -164 | -133 | 14.4 | 0 | 0 | 0 | 113.1 | ||
| 535 | S | 69.9 | Low | 88.3 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 39% | 0.392 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.8 | -0.9 | -168.1 | 64.8 | 0 | 0 | 0 | 0 | 116.2 | Q537 | S535-Q537 WeakPolarHBondContact O-CG 3.42Å; S535-Q537 PolarHBondContact O-N 2.86Å; S535-Q537 WeakPolarHBondContact OG-CB 3.09Å |
| 536 | W | 80.4 | Confident | 88.2 | Confident | 81 Ų | 81 | 56 Ų | 56 | 31% | 0.307 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 55.9 | 15.9 | -172.6 | -46.3 | 103.9 | 0 | 0 | 0 | 113.6 | L474 L487 E497 L499 D531 M532 | L474-W536 HydrophobicContact CD1-CH2 3.94Å; L474-W536 HydrophobicContact CD1-CZ3 4.05Å; L474-W536 HydrophobicContact CD2-CH2 4.23Å; L487-W536 HydrophobicContact CD2-CD2 4.36Å; L487-W536 HydrophobicContact CD2-CE3 3.47Å; L487-W536 VanDerWaalsContact CD2-CE3 3.47Å; L487-W536 HydrophobicContact CD2-CH2 3.65Å; L487-W536 HydrophobicContact CD2-CZ2 4.5Å; L487-W536 HydrophobicContact CD2-CZ3 3.06Å; L487-W536 HydrophobicContact CG-CZ3 4.48Å; E497-W536 HydrophobicContact CG-CG 4.38Å; L499-W536 HydrophobicContact CD2-CB 4.06Å; L499-W536 WeakPolarHBondContact CD2-O 3.34Å; D531-W536 WeakPolarHBondContact O-CA 3.48Å; D531-W536 PolarHBondContact O-N 2.91Å; M532-W536 HydrophobicContact CB-CE3 4.13Å; M532-W536 HydrophobicContact CB-CZ3 3.67Å; M532-W536 HydrophobicContact CE-CE3 4.34Å; M532-W536 HydrophobicContact CE-CZ3 4.1Å; M532-W536 HydrophobicContact CG-CZ3 4.38Å; M532-W536 WeakPolarHBondContact O-CH2 3.31Å; M532-W536 WeakPolarHBondContact O-CZ3 3.47Å; M532-W536 HydrophobicContact SD-CE3 3.87Å; M532-W536 HydrophobicContact SD-CZ3 4.01Å |
| 537 | Q | 83.7 | Confident | 88.2 | Confident | 132 Ų | 132 | 56.8 Ų | 56.8 | 62% | 0.617 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -91.4 | 160.8 | -179.1 | -63.9 | -173.9 | 3.6 | 0 | 0 | 111.3 | D531 S535 K539 | D531-Q537 PolarHBondContact N-O 2.79Å; S535-Q537 WeakPolarHBondContact O-CG 3.42Å; S535-Q537 PolarHBondContact O-N 2.86Å; S535-Q537 WeakPolarHBondContact OG-CB 3.09Å; Q537-K539 PolarHBondContact O-N 2.82Å |
| 538 | V | 84.4 | Confident | 88 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 29% | 0.291 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 117.9 | 168.2 | -177.2 | 0 | 0 | 0 | 0 | 108 | R528 L529 W530 T541 | R528-V538 HydrophobicContact CB-CG1 4.29Å; L529-V538 CarbonylContact O-C 3.57Å; W530-V538 HydrophobicContact CD2-CG2 4.14Å; W530-V538 HydrophobicContact CE3-CB 4.44Å; W530-V538 HydrophobicContact CE3-CG2 3.62Å; W530-V538 HydrophobicContact CH2-CG2 3.38Å; W530-V538 HydrophobicContact CZ2-CG2 3.9Å; W530-V538 HydrophobicContact CZ3-CB 4.41Å; W530-V538 HydrophobicContact CZ3-CG2 3.23Å; V538-T541 HydrophobicContact CG1-CG2 3.64Å |
| 539 | K | 85.4 | Confident | 88 | Confident | 96 Ų | 96 | 56.2 Ų | 56.2 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | -54.3 | 172.6 | -174 | 174.2 | -178.7 | 165.9 | 0 | 110.3 | I517 L529 D531 Q537 | I517-K539 HydrophobicContact CD1-CD 4.36Å; L529-K539 WeakPolarHBondContact O-CB 3.43Å; L529-K539 PolarHBondContact O-N 3.17Å; D531-K539 HydrophobicContact CB-CB 4.46Å; Q537-K539 PolarHBondContact O-N 2.82Å |
| 540 | E | 90.4 | Very high | 87.9 | Confident | 63 Ų | 63 | 56.8 Ų | 56.8 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 152.3 | -178 | -72.4 | -178.4 | 156.2 | 0 | 0 | 111.4 | L529 A577 | L529-E540 PolarHBondContact N-O 3.48Å; L529-E540 PolarHBondContact O-N 3.11Å; E540-A577 HydrophobicContact CB-CB 4.39Å; E540-A577 HydrophobicContact CG-CB 4.47Å; E540-A577 WeakPolarHBondContact OE2-CB 3.45Å |
| 541 | T | 92.6 | Very high | 88 | Confident | 82 Ų | 82 | 56.8 Ų | 56.8 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127 | 175 | 58.7 | 0 | 0 | 0 | 0 | 110.2 | R528 V538 | R528-T541 HydrophobicContact CG-CG2 4.02Å; V538-T541 HydrophobicContact CG1-CG2 3.64Å |
| 542 | L | 93.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116.6 | 180 | -50.3 | 176.2 | 0 | 0 | 0 | 108.9 | T526 V527 L560 W572 A577 | T526-L542 WeakPolarHBondContact CA-O 3.19Å; V527-L542 HydrophobicContact CB-CB 4.17Å; V527-L542 HydrophobicContact CB-CD1 4.33Å; V527-L542 HydrophobicContact CG1-CD1 4.34Å; V527-L542 PolarHBondContact N-O 3.34Å; V527-L542 PolarHBondContact O-N 2.8Å; L542-L560 HydrophobicContact CD1-CD2 4.15Å; L542-W572 HydrophobicContact CB-CD2 4.45Å; L542-W572 HydrophobicContact CB-CE3 4.34Å; L542-W572 HydrophobicContact CB-CZ3 4.45Å; L542-W572 HydrophobicContact CD1-CB 4.01Å; L542-W572 HydrophobicContact CD1-CD2 4.16Å; L542-W572 HydrophobicContact CD1-CE3 4.31Å; L542-W572 HydrophobicContact CD1-CG 4.03Å; L542-W572 HydrophobicContact CD2-CE3 3.93Å; L542-W572 HydrophobicContact CD2-CZ3 4.29Å; L542-W572 HydrophobicContact CG-CE3 4.42Å; L542-A577 HydrophobicContact CD2-CB 3.43Å; L542-A577 VanDerWaalsContact CD2-CB 3.43Å |
| 543 | P | 93.3 | Very high | 88.7 | Confident | 93 Ų | 93 | 56.2 Ų | 56.2 | 60% | 0.604 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 133.8 | 176.7 | 30.7 | -32.8 | 0 | 0 | 0 | 111.1 | W572 | P543-W572 WeakPolarHBondContact O-CH2 3.39Å; P543-W572 WeakPolarHBondContact O-CZ2 3.39Å |
| 544 | L | 93.3 | Very high | 89.2 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 12% | 0.115 | 28% | 0.276 | C | S | . | . | trans | -105.2 | 161.7 | 176 | -57.6 | 175.7 | 0 | 0 | 0 | 111.7 | R525 V527 S546 V562 T564 W572 | R525-L544 WeakPolarHBondContact O-CA 3.43Å; R525-L544 VanDerWaalsContact O-CB 3.32Å; R525-L544 WeakPolarHBondContact O-CB 3.46Å; R525-L544 PolarHBondContact O-N 3.48Å; V527-L544 HydrophobicContact CG2-CD1 3.79Å; V527-L544 HydrophobicContact CG2-CD2 4.13Å; V527-L544 HydrophobicContact CG2-CG 4.12Å; L544-S546 WeakPolarHBondContact CB-O 3.23Å; L544-V562 HydrophobicContact CD1-CG1 3.84Å; L544-V562 HydrophobicContact CD2-CB 4.32Å; L544-V562 HydrophobicContact CD2-CG1 3.96Å; L544-T564 HydrophobicContact CD1-CG2 4.49Å; L544-W572 HydrophobicContact CD2-CZ2 4.47Å | ||
| 545 | T | 91.1 | Very high | 89.9 | Confident | 91 Ų | 91 | 46.8 Ų | 46.8 | 56% | 0.558 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -71 | -33.5 | 175.3 | 57.5 | 0 | 0 | 0 | 0 | 112.8 | E568 | T545-E568 PolarHBondContact OG1-OE2 2.96Š|
| 546 | S | 92.4 | Very high | 90.7 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -151.9 | 179.6 | -179.7 | 56 | 0 | 0 | 0 | 0 | 110.3 | L544 G548 T564 N566 | L544-S546 WeakPolarHBondContact CB-O 3.23Å; S546-G548 PolarHBondContact O-N 3Å; S546-T564 VanDerWaalsContact OG-CB 3.28Å; S546-T564 WeakPolarHBondContact OG-CB 3.41Å; S546-T564 PolarHBondContact OG-OG1 2.74Å; S546-N566 WeakPolarHBondContact CB-ND2 3.41Å; S546-N566 PolarHBondContact OG-N 2.78Å; S546-N566 PolarHBondContact OG-ND2 3.02Å |
| 547 | D | 93.9 | Very high | 91.1 | Very high | 48 Ų | 48 | 42.5 Ų | 42.5 | 26% | 0.257 | 23% | 0.231 | S | C | . | . | trans | -53.4 | 129.3 | -174.5 | -54.8 | 1.5 | 0 | 0 | 0 | 111 | W523 R525 T564 L565 | W523-D547 HydrophobicContact CB-CB 4.23Å; W523-D547 HydrophobicContact CG-CB 4.34Å; R525-D547 WeakPolarHBondContact CG-OD1 3.38Å; D547-T564 CarbonylContact O-C 3.56Å; D547-T564 WeakPolarHBondContact O-CA 3.41Å; D547-L565 HydrophobicContact CB-CB 4.15Å; D547-L565 HydrophobicContact CB-CD2 4.4Å; D547-L565 PolarHBondContact O-N 3.02Å | ||
| 548 | G | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 127.3 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | S507 S522 S546 | S507-G548 WeakPolarHBondContact CB-O 3.3Å; S507-G548 PolarHBondContact OG-O 2.89Å; S522-G548 PolarHBondContact O-N 2.97Å; S546-G548 PolarHBondContact O-N 3Å |
| 549 | L | 93 | Very high | 91.7 | Very high | 29 Ų | 29 | 41.5 Ų | 41.5 | 15% | 0.152 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -44.1 | -178.7 | -64 | 178.8 | 0 | 0 | 0 | 112.8 | S507 A563 L565 S609 F610 | S507-L549 WeakPolarHBondContact CB-O 3.09Å; S507-L549 PolarHBondContact OG-O 2.83Å; L549-A563 PolarHBondContact N-O 2.78Å; L549-L565 HydrophobicContact CD1-CB 4.35Å; L549-L565 HydrophobicContact CD1-CD1 4.05Å; L549-L565 HydrophobicContact CD2-CD1 4.48Å; L549-S609 WeakPolarHBondContact CD1-OG 3.33Å; L549-F610 WeakPolarHBondContact CD1-O 3.27Å |
| 550 | C | 93.6 | Very high | 92.2 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 9% | 0.088 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 141.8 | -176 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | V562 A563 T611 L613 | C550-V562 WeakPolarHBondContact O-CA 3.08Å; C550-A563 HydrophobicContact CB-CB 4.28Å; C550-A563 PolarHBondContact O-N 3.18Å; C550-T611 WeakPolarHBondContact CB-O 3.19Å; C550-L613 PolarHBondContact SG-N 2.73Å |
| 551 | V | 95.1 | Very high | 92.4 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 139.7 | 175.9 | 175.6 | 0 | 0 | 0 | 0 | 109.3 | S508 C510 A519 A521 V527 L560 A561 V562 | S508-V551 PolarHBondContact OG-N 3.48Å; C510-V551 HydrophobicContact CB-CG1 4.31Å; A519-V551 HydrophobicContact CB-CG1 3.89Å; A521-V551 HydrophobicContact CB-CB 4.48Å; A521-V551 HydrophobicContact CB-CG2 3.23Å; V527-V551 HydrophobicContact CG1-CG2 4.44Å; V527-V551 HydrophobicContact CG2-CG2 4.28Å; V551-L560 HydrophobicContact CG1-CD1 3.46Å; V551-L560 VanDerWaalsContact CG1-CD1 3.46Å; V551-L560 HydrophobicContact CG1-CD2 4.1Å; V551-L560 HydrophobicContact CG1-CG 3.91Å; V551-A561 WeakPolarHBondContact CA-O 3.4Å; V551-V562 HydrophobicContact CG2-CG1 4.05Å; V551-V562 HydrophobicContact CG2-CG2 4.16Å |
| 552 | T | 94.6 | Very high | 92.5 | Very high | 15 Ų | 15 | 30 Ų | 30 | 9% | 0.092 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 139.4 | 174.4 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | A561 L613 Y615 I622 | T552-A561 HydrophobicContact CG2-CB 3.94Å; T552-A561 PolarHBondContact N-O 2.81Å; T552-A561 PolarHBondContact O-N 3.43Å; T552-L613 HydrophobicContact CG2-CB 3.61Å; T552-L613 HydrophobicContact CG2-CD1 4.43Å; T552-Y615 HydrophobicContact CG2-CD2 3.6Å; T552-Y615 HydrophobicContact CG2-CE2 3.73Å; T552-Y615 WeakPolarHBondContact O-CE2 3.37Å; T552-I622 HydrophobicContact CG2-CD1 4.29Å |
| 553 | Y | 94.1 | Very high | 92.6 | Very high | 13 Ų | 13 | 30 Ų | 30 | 5% | 0.051 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 145.8 | 171.7 | -85.9 | -81.4 | 0 | 0 | 0 | 111.2 | C510 F511 A519 L560 P574 Y615 | C510-Y553 HydrophobicContact CB-CD2 4.1Å; C510-Y553 WeakPolarHBondContact O-CE2 3.49Å; F511-Y553 VanDerWaalsContact C-CD2 3.5Å; F511-Y553 VanDerWaalsContact O-CD2 3.3Å; F511-Y553 WeakPolarHBondContact O-CD2 3.45Å; A519-Y553 HydrophobicContact CB-CE2 3.54Å; Y553-L560 HydrophobicContact CD1-CD1 3.72Å; Y553-L560 HydrophobicContact CD2-CD1 3.74Å; Y553-L560 HydrophobicContact CE1-CD1 3.67Å; Y553-L560 HydrophobicContact CE2-CD1 3.68Å; Y553-L560 HydrophobicContact CG-CD1 3.76Å; Y553-P574 HydrophobicContact CE1-CB 4.26Å; Y553-P574 HydrophobicContact CE1-CG 4.16Å; Y553-Y615 VanDerWaalsContact C-CD2 3.41Å; Y553-Y615 VanDerWaalsContact O-CD2 3.24Å; Y553-Y615 WeakPolarHBondContact O-CD2 3.44Å |
| 554 | R | 91.8 | Very high | 92.7 | Very high | 43 Ų | 43 | 25.6 Ų | 25.6 | 16% | 0.162 | 14% | 0.136 | C | C | . | . | trans | -66.2 | 144.6 | 163.1 | -174.2 | 175 | 163.2 | 173 | -4.6 | 109.4 | P513 D556 G557 E559 Y615 G619 | P513-R554 WeakPolarHBondContact CG-O 3.4Å; R554-D556 IonicContact CZ-OD2 2.81Å; R554-D556 VanDerWaalsContact CZ-OD2 3.3Å; R554-D556 IonicContact NE-OD2 2.79Å; R554-D556 PolarHBondContact NE-OD2 2.92Å; R554-D556 IonicContact NH2-OD2 2.82Å; R554-D556 PolarHBondContact NH2-OD2 3Å; R554-D556 PolarHBondContact O-N 2.95Å; R554-G557 PolarHBondContact O-N 3.02Å; R554-E559 HydrophobicContact CB-CB 4.15Å; R554-E559 WeakPolarHBondContact CB-O 3.41Å; R554-E559 WeakPolarHBondContact CD-OE2 3.23Å; R554-E559 IonicContact CZ-OE2 2.69Å; R554-E559 PolarHBondContact N-O 3.16Å; R554-E559 IonicContact NH1-OE2 3.47Å; R554-E559 PolarHBondContact NH1-OE2 3.24Å; R554-Y615 HydrophobicContact CB-CD1 4.11Å; R554-Y615 HydrophobicContact CB-CD2 4.4Å; R554-Y615 HydrophobicContact CB-CE1 3.96Å; R554-Y615 HydrophobicContact CB-CE2 4.27Å; R554-Y615 HydrophobicContact CB-CG 4.31Å; R554-Y615 HydrophobicContact CG-CD1 4.14Å; R554-Y615 HydrophobicContact CG-CE1 4.22Å; R554-G619 PolarHBondContact NE-O 2.94Å | ||
| 555 | P | 88.3 | Confident | 92.6 | Very high | 42 Ų | 42 | 28 Ų | 28 | 27% | 0.273 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -28.1 | 179.2 | -29.2 | 36.1 | 0 | 0 | 0 | 114.9 | P513 G557 S616 | P513-P555 WeakPolarHBondContact CG-O 3.35Å; P555-G557 VanDerWaalsContact C-N 3.33Å; P555-S616 WeakPolarHBondContact CG-O 3.44Å |
| 556 | D | 86.4 | Confident | 92.5 | Very high | 44 Ų | 44 | 27.3 Ų | 27.3 | 24% | 0.235 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -13 | 177.3 | -57.8 | -37.9 | 0 | 0 | 0 | 113.8 | R554 Q558 A841 | R554-D556 IonicContact CZ-OD2 2.81Å; R554-D556 VanDerWaalsContact CZ-OD2 3.3Å; R554-D556 IonicContact NE-OD2 2.79Å; R554-D556 PolarHBondContact NE-OD2 2.92Å; R554-D556 IonicContact NH2-OD2 2.82Å; R554-D556 PolarHBondContact NH2-OD2 3Å; R554-D556 PolarHBondContact O-N 2.95Å; D556-Q558 HydrophobicContact CB-CG 4.46Å; D556-Q558 PolarHBondContact O-N 2.85Å; D556-A841 VanDerWaalsContact OD1-CB 3.24Å; D556-A841 WeakPolarHBondContact OD1-CB 3.37Å |
| 557 | G | 88.3 | Confident | 92.3 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 72.5 | 3.3 | -177 | 0 | 0 | 0 | 0 | 0 | 115.8 | R554 P555 P574 Q575 | R554-G557 PolarHBondContact O-N 3.02Å; P555-G557 VanDerWaalsContact C-N 3.33Å; G557-P574 WeakPolarHBondContact O-CG 3.05Å; G557-Q575 PolarHBondContact O-NE2 2.88Å |
| 558 | Q | 88.9 | Confident | 92.3 | Very high | 121 Ų | 121 | 27.3 Ų | 27.3 | 57% | 0.565 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -86.1 | -18.1 | -179 | -66.3 | -175 | -5.3 | 0 | 0 | 114.3 | D556 P574 | D556-Q558 HydrophobicContact CB-CG 4.46Å; D556-Q558 PolarHBondContact O-N 2.85Å; Q558-P574 WeakPolarHBondContact O-CD 3.46Å |
| 559 | E | 92.8 | Very high | 92.3 | Very high | 37 Ų | 37 | 27.3 Ų | 27.3 | 17% | 0.173 | 14% | 0.139 | C | C | . | . | trans | -137.6 | 146.6 | -177.6 | -68.7 | 178 | 141.9 | 0 | 0 | 110.4 | R554 W572 | R554-E559 HydrophobicContact CB-CB 4.15Å; R554-E559 WeakPolarHBondContact CB-O 3.41Å; R554-E559 WeakPolarHBondContact CD-OE2 3.23Å; R554-E559 IonicContact CZ-OE2 2.69Å; R554-E559 PolarHBondContact N-O 3.16Å; R554-E559 IonicContact NH1-OE2 3.47Å; R554-E559 PolarHBondContact NH1-OE2 3.24Å; E559-W572 CarbonylContact C-O 3.53Å; E559-W572 WeakPolarHBondContact CA-O 3.34Å | ||
| 560 | L | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 128.5 | 178.3 | -171.8 | 78 | 0 | 0 | 0 | 108.6 | A519 V527 L529 L542 V551 Y553 V562 F571 W572 | A519-L560 HydrophobicContact CB-CD1 3.96Å; A519-L560 HydrophobicContact CB-CD2 4.27Å; V527-L560 HydrophobicContact CG1-CD2 4.02Å; L529-L560 HydrophobicContact CD2-CD2 4.37Å; L542-L560 HydrophobicContact CD1-CD2 4.15Å; V551-L560 HydrophobicContact CG1-CD1 3.46Å; V551-L560 VanDerWaalsContact CG1-CD1 3.46Å; V551-L560 HydrophobicContact CG1-CD2 4.1Å; V551-L560 HydrophobicContact CG1-CG 3.91Å; Y553-L560 HydrophobicContact CD1-CD1 3.72Å; Y553-L560 HydrophobicContact CD2-CD1 3.74Å; Y553-L560 HydrophobicContact CE1-CD1 3.67Å; Y553-L560 HydrophobicContact CE2-CD1 3.68Å; Y553-L560 HydrophobicContact CG-CD1 3.76Å; L560-V562 HydrophobicContact CD2-CG2 4.1Å; L560-V562 HydrophobicContact CG-CG2 4.33Å; L560-F571 CarbonylContact O-C 3.52Å; L560-F571 WeakPolarHBondContact O-CA 3.48Å; L560-W572 HydrophobicContact CB-CB 4.35Å; L560-W572 PolarHBondContact N-O 3.22Å; L560-W572 PolarHBondContact O-N 3.37Å |
| 561 | A | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 138.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V551 T552 I569 S570 F571 L613 Y615 I622 | V551-A561 WeakPolarHBondContact CA-O 3.4Å; T552-A561 HydrophobicContact CG2-CB 3.94Å; T552-A561 PolarHBondContact N-O 2.81Å; T552-A561 PolarHBondContact O-N 3.43Å; A561-I569 HydrophobicContact CB-CG2 4.34Å; A561-S570 WeakPolarHBondContact CA-O 3.43Å; A561-F571 HydrophobicContact CB-CD1 3.85Å; A561-F571 HydrophobicContact CB-CE1 3.85Å; A561-L613 HydrophobicContact CB-CD1 4.22Å; A561-Y615 HydrophobicContact CB-CE2 3.49Å; A561-Y615 VanDerWaalsContact CB-CE2 3.49Å; A561-Y615 VanDerWaalsContact CB-OH 3.3Å; A561-Y615 WeakPolarHBondContact CB-OH 3.46Å; A561-Y615 PolarHBondContact N-OH 3.22Å; A561-I622 HydrophobicContact CB-CD1 3.36Å |
| 562 | V | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 123.4 | 179.6 | -171.5 | 0 | 0 | 0 | 0 | 109.5 | V527 L544 C550 V551 L560 I569 S570 | V527-V562 HydrophobicContact CG2-CB 4.49Å; V527-V562 HydrophobicContact CG2-CG1 3.81Å; V527-V562 HydrophobicContact CG2-CG2 3.91Å; L544-V562 HydrophobicContact CD1-CG1 3.84Å; L544-V562 HydrophobicContact CD2-CB 4.32Å; L544-V562 HydrophobicContact CD2-CG1 3.96Å; C550-V562 WeakPolarHBondContact O-CA 3.08Å; V551-V562 HydrophobicContact CG2-CG1 4.05Å; V551-V562 HydrophobicContact CG2-CG2 4.16Å; L560-V562 HydrophobicContact CD2-CG2 4.1Å; L560-V562 HydrophobicContact CG-CG2 4.33Å; V562-I569 WeakPolarHBondContact O-CA 3.46Å; V562-S570 PolarHBondContact N-O 3.33Å; V562-S570 PolarHBondContact O-N 3.35Å; V562-S570 PolarHBondContact O-OG 2.61Å |
| 563 | A | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 131.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L549 C550 F610 L613 | L549-A563 PolarHBondContact N-O 2.78Å; C550-A563 HydrophobicContact CB-CB 4.28Å; C550-A563 PolarHBondContact O-N 3.18Å; A563-F610 HydrophobicContact CB-CB 4.2Å; A563-L613 HydrophobicContact CB-CD1 3.54Å; A563-L613 HydrophobicContact CB-CD2 4.31Å; A563-L613 HydrophobicContact CB-CG 3.78Å |
| 564 | T | 94.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 160.2 | 178.3 | 71.6 | 0 | 0 | 0 | 0 | 111.8 | L544 S546 D547 N566 G567 E568 | L544-T564 HydrophobicContact CD1-CG2 4.49Å; S546-T564 VanDerWaalsContact OG-CB 3.28Å; S546-T564 WeakPolarHBondContact OG-CB 3.41Å; S546-T564 PolarHBondContact OG-OG1 2.74Å; D547-T564 CarbonylContact O-C 3.56Å; D547-T564 WeakPolarHBondContact O-CA 3.41Å; T564-N566 PolarHBondContact O-N 2.84Å; T564-G567 PolarHBondContact O-N 2.92Å; T564-E568 PolarHBondContact N-O 3.4Å; T564-E568 PolarHBondContact OG1-N 3.39Å; T564-E568 PolarHBondContact OG1-O 2.94Å |
| 565 | L | 92.3 | Very high | 92 | Very high | 72 Ų | 72 | 28.3 Ų | 28.3 | 38% | 0.377 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.3 | 178 | -174.1 | 63 | 0 | 0 | 0 | 113.3 | D547 L549 G567 S609 | D547-L565 HydrophobicContact CB-CB 4.15Å; D547-L565 HydrophobicContact CB-CD2 4.4Å; D547-L565 PolarHBondContact O-N 3.02Å; L549-L565 HydrophobicContact CD1-CB 4.35Å; L549-L565 HydrophobicContact CD1-CD1 4.05Å; L549-L565 HydrophobicContact CD2-CD1 4.48Å; L565-G567 PolarHBondContact O-N 3.5Å; L565-S609 WeakPolarHBondContact O-CB 3.42Å |
| 566 | N | 89.5 | Confident | 92.1 | Very high | 77 Ų | 77 | 30.1 Ų | 30.1 | 41% | 0.412 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -7 | 174.8 | -71 | -16.3 | 0 | 0 | 0 | 114 | S546 T564 E568 | S546-N566 WeakPolarHBondContact CB-ND2 3.41Å; S546-N566 PolarHBondContact OG-N 2.78Å; S546-N566 PolarHBondContact OG-ND2 3.02Å; T564-N566 PolarHBondContact O-N 2.84Å; N566-E568 HydrophobicContact CB-CG 4.32Å |
| 567 | G | 87.9 | Confident | 92.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 82 | 20.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T564 L565 G585 R586 | T564-G567 PolarHBondContact O-N 2.92Å; L565-G567 PolarHBondContact O-N 3.5Å; G567-G585 PolarHBondContact O-N 3.15Å; G567-R586 PolarHBondContact O-N 2.62Å |
| 568 | E | 92.5 | Very high | 92.3 | Very high | 58 Ų | 58 | 32.7 Ų | 32.7 | 27% | 0.271 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 145 | 173.9 | -57 | 179.9 | 156.4 | 0 | 0 | 110.1 | T545 T564 N566 I583 T584 | T545-E568 PolarHBondContact OG1-OE2 2.96Å; T564-E568 PolarHBondContact N-O 3.4Å; T564-E568 PolarHBondContact OG1-N 3.39Å; T564-E568 PolarHBondContact OG1-O 2.94Å; N566-E568 HydrophobicContact CB-CG 4.32Å; E568-I583 CarbonylContact C-O 3.59Å; E568-I583 WeakPolarHBondContact CA-O 3.43Å; E568-T584 HydrophobicContact CG-CG2 4.14Å |
| 569 | I | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 114.9 | 170.8 | -55.9 | 171.4 | 0 | 0 | 0 | 106.4 | A561 V562 F571 S582 I583 F610 L613 I622 A624 Y634 | A561-I569 HydrophobicContact CB-CG2 4.34Å; V562-I569 WeakPolarHBondContact O-CA 3.46Å; I569-F571 HydrophobicContact CG2-CE1 4.13Å; I569-F571 HydrophobicContact CG2-CE2 4.46Å; I569-F571 HydrophobicContact CG2-CZ 3.96Å; I569-S582 CarbonylContact O-C 3.58Å; I569-S582 VanDerWaalsContact O-CA 3.27Å; I569-S582 WeakPolarHBondContact O-CA 3.38Å; I569-I583 HydrophobicContact CB-CB 4.44Å; I569-I583 PolarHBondContact N-O 3.34Å; I569-I583 PolarHBondContact O-N 2.91Å; I569-F610 HydrophobicContact CD1-CD2 4.17Å; I569-F610 HydrophobicContact CD1-CE2 4.26Å; I569-F610 HydrophobicContact CG1-CD2 4.08Å; I569-F610 HydrophobicContact CG1-CE2 4.41Å; I569-L613 HydrophobicContact CD1-CD2 3.85Å; I569-L613 HydrophobicContact CG1-CD2 4.17Å; I569-L613 HydrophobicContact CG2-CD1 4.08Å; I569-I622 HydrophobicContact CG2-CD1 4.29Å; I569-A624 HydrophobicContact CD1-CB 3.73Å; I569-Y634 HydrophobicContact CD1-CD2 4.02Å; I569-Y634 HydrophobicContact CD1-CE2 3.81Å |
| 570 | S | 94.8 | Very high | 92.4 | Very high | 9 Ų | 9 | 33.1 Ų | 33.1 | 6% | 0.063 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 138.7 | 178 | 61.2 | 0 | 0 | 0 | 0 | 110.6 | A561 V562 W572 | A561-S570 WeakPolarHBondContact CA-O 3.43Å; V562-S570 PolarHBondContact N-O 3.33Å; V562-S570 PolarHBondContact O-N 3.35Å; V562-S570 PolarHBondContact O-OG 2.61Å; S570-W572 PolarHBondContact OG-NE1 3.05Å |
| 571 | F | 95.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 134 | 178.5 | -58.7 | -74.8 | 0 | 0 | 0 | 110.3 | L560 A561 I569 Q579 T580 G581 I583 Y615 I622 I636 | L560-F571 CarbonylContact O-C 3.52Å; L560-F571 WeakPolarHBondContact O-CA 3.48Å; A561-F571 HydrophobicContact CB-CD1 3.85Å; A561-F571 HydrophobicContact CB-CE1 3.85Å; I569-F571 HydrophobicContact CG2-CE1 4.13Å; I569-F571 HydrophobicContact CG2-CE2 4.46Å; I569-F571 HydrophobicContact CG2-CZ 3.96Å; F571-Q579 CarbonylContact O-C 3.59Å; F571-Q579 WeakPolarHBondContact O-CA 3.27Å; F571-Q579 WeakPolarHBondContact O-CG 3.28Å; F571-T580 WeakPolarHBondContact CB-OG1 3.25Å; F571-T580 PolarHBondContact O-N 3.17Å; F571-T580 PolarHBondContact O-OG1 3.3Å; F571-G581 PolarHBondContact N-O 3.15Å; F571-I583 HydrophobicContact CE2-CD1 3.52Å; F571-I583 HydrophobicContact CE2-CG1 3.84Å; F571-I583 HydrophobicContact CZ-CD1 3.75Å; F571-Y615 WeakPolarHBondContact CD1-OH 3.17Å; F571-I622 HydrophobicContact CE1-CD1 4.11Å; F571-I622 HydrophobicContact CE1-CG2 4.39Å; F571-I622 HydrophobicContact CZ-CG2 4.15Å; F571-I636 HydrophobicContact CD1-CG2 4.38Å; F571-I636 HydrophobicContact CE1-CG1 4.06Å; F571-I636 HydrophobicContact CE1-CG2 4.25Å; F571-I636 HydrophobicContact CZ-CG1 4.17Å; F571-I636 HydrophobicContact CZ-CG2 4.38Å |
| 572 | W | 95.2 | Very high | 92.1 | Very high | 20 Ų | 20 | 36.3 Ų | 36.3 | 8% | 0.076 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 141.2 | -174.2 | -63.2 | 85.7 | 0 | 0 | 0 | 110.7 | L542 P543 L544 E559 L560 S570 Q579 | L542-W572 HydrophobicContact CB-CD2 4.45Å; L542-W572 HydrophobicContact CB-CE3 4.34Å; L542-W572 HydrophobicContact CB-CZ3 4.45Å; L542-W572 HydrophobicContact CD1-CB 4.01Å; L542-W572 HydrophobicContact CD1-CD2 4.16Å; L542-W572 HydrophobicContact CD1-CE3 4.31Å; L542-W572 HydrophobicContact CD1-CG 4.03Å; L542-W572 HydrophobicContact CD2-CE3 3.93Å; L542-W572 HydrophobicContact CD2-CZ3 4.29Å; L542-W572 HydrophobicContact CG-CE3 4.42Å; P543-W572 WeakPolarHBondContact O-CH2 3.39Å; P543-W572 WeakPolarHBondContact O-CZ2 3.39Å; L544-W572 HydrophobicContact CD2-CZ2 4.47Å; E559-W572 CarbonylContact C-O 3.53Å; E559-W572 WeakPolarHBondContact CA-O 3.34Å; L560-W572 HydrophobicContact CB-CB 4.35Å; L560-W572 PolarHBondContact N-O 3.22Å; L560-W572 PolarHBondContact O-N 3.37Å; S570-W572 PolarHBondContact OG-NE1 3.05Å; W572-Q579 HydrophobicContact CD2-CB 4.07Å; W572-Q579 HydrophobicContact CD2-CG 4.3Å; W572-Q579 HydrophobicContact CE3-CB 3.85Å; W572-Q579 HydrophobicContact CH2-CB 3.85Å; W572-Q579 HydrophobicContact CH2-CG 4.41Å; W572-Q579 HydrophobicContact CZ2-CB 4.05Å; W572-Q579 HydrophobicContact CZ2-CG 4.12Å; W572-Q579 HydrophobicContact CZ3-CB 3.75Å |
| 573 | S | 93.1 | Very high | 92 | Very high | 18 Ų | 18 | 36.8 Ų | 36.8 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 120.2 | 167.3 | 165.7 | 0 | 0 | 0 | 0 | 108.9 | Q575 T576 A577 T578 | S573-Q575 VanDerWaalsContact C-N 3.31Å; S573-Q575 PolarHBondContact O-N 2.79Å; S573-T576 VanDerWaalsContact CB-OG1 3.23Å; S573-T576 WeakPolarHBondContact CB-OG1 3.25Å; S573-T576 PolarHBondContact OG-OG1 3.2Å; S573-A577 WeakPolarHBondContact O-CA 3.22Å; S573-A577 PolarHBondContact O-N 2.87Å; S573-T578 PolarHBondContact N-O 3.41Å |
| 574 | P | 89.8 | Confident | 91.8 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -14.4 | -176.6 | 30.8 | -32.3 | 0 | 0 | 0 | 113.6 | L529 Y553 G557 Q558 | L529-P574 HydrophobicContact CD1-CB 3.84Å; Y553-P574 HydrophobicContact CE1-CB 4.26Å; Y553-P574 HydrophobicContact CE1-CG 4.16Å; G557-P574 WeakPolarHBondContact O-CG 3.05Å; Q558-P574 WeakPolarHBondContact O-CD 3.46Å |
| 575 | Q | 87.7 | Confident | 91.4 | Very high | 86 Ų | 86 | 41.3 Ų | 41.3 | 40% | 0.402 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -26.4 | 176.4 | -64.2 | 80.3 | 18.8 | 0 | 0 | 113 | G557 S573 | G557-Q575 PolarHBondContact O-NE2 2.88Å; S573-Q575 VanDerWaalsContact C-N 3.31Å; S573-Q575 PolarHBondContact O-N 2.79Å |
| 576 | T | 88.9 | Confident | 91 | Very high | 80 Ų | 80 | 42.5 Ų | 42.5 | 49% | 0.491 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -5 | -175 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | S573 T578 | S573-T576 VanDerWaalsContact CB-OG1 3.23Å; S573-T576 WeakPolarHBondContact CB-OG1 3.25Å; S573-T576 PolarHBondContact OG-OG1 3.2Å; T576-T578 WeakPolarHBondContact O-CG2 3.45Å; T576-T578 PolarHBondContact O-N 3.39Å; T576-T578 PolarHBondContact OG1-OG1 2.92Å |
| 577 | A | 88.1 | Confident | 90.9 | Very high | 28 Ų | 28 | 46.4 Ų | 46.4 | 23% | 0.231 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 24.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115 | E540 L542 S573 | E540-A577 HydrophobicContact CB-CB 4.39Å; E540-A577 HydrophobicContact CG-CB 4.47Å; E540-A577 WeakPolarHBondContact OE2-CB 3.45Å; L542-A577 HydrophobicContact CD2-CB 3.43Å; L542-A577 VanDerWaalsContact CD2-CB 3.43Å; S573-A577 WeakPolarHBondContact O-CA 3.22Å; S573-A577 PolarHBondContact O-N 2.87Å |
| 578 | T | 91.1 | Very high | 90.9 | Very high | 73 Ų | 73 | 48.4 Ų | 48.4 | 45% | 0.448 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 136.8 | -179.3 | 54.5 | 0 | 0 | 0 | 0 | 111.2 | S573 T576 T580 | S573-T578 PolarHBondContact N-O 3.41Å; T576-T578 WeakPolarHBondContact O-CG2 3.45Å; T576-T578 PolarHBondContact O-N 3.39Å; T576-T578 PolarHBondContact OG1-OG1 2.92Å; T578-T580 PolarHBondContact O-N 2.88Å |
| 579 | Q | 92.8 | Very high | 90.4 | Very high | 97 Ų | 97 | 45.7 Ų | 45.7 | 45% | 0.453 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 120.6 | 170.3 | -167.1 | -179.7 | -7.4 | 0 | 0 | 109.8 | F571 W572 G581 | F571-Q579 CarbonylContact O-C 3.59Å; F571-Q579 WeakPolarHBondContact O-CA 3.27Å; F571-Q579 WeakPolarHBondContact O-CG 3.28Å; W572-Q579 HydrophobicContact CD2-CB 4.07Å; W572-Q579 HydrophobicContact CD2-CG 4.3Å; W572-Q579 HydrophobicContact CE3-CB 3.85Å; W572-Q579 HydrophobicContact CH2-CB 3.85Å; W572-Q579 HydrophobicContact CH2-CG 4.41Å; W572-Q579 HydrophobicContact CZ2-CB 4.05Å; W572-Q579 HydrophobicContact CZ2-CG 4.12Å; W572-Q579 HydrophobicContact CZ3-CB 3.75Å; Q579-G581 PolarHBondContact NE2-O 3.33Å |
| 580 | T | 91.7 | Very high | 89.9 | Confident | 70 Ų | 70 | 50.9 Ų | 50.9 | 43% | 0.429 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -31 | 178.2 | 55.7 | 0 | 0 | 0 | 0 | 112.1 | F571 T578 | F571-T580 WeakPolarHBondContact CB-OG1 3.25Å; F571-T580 PolarHBondContact O-N 3.17Å; F571-T580 PolarHBondContact O-OG1 3.3Å; T578-T580 PolarHBondContact O-N 2.88Å |
| 581 | G | 90.6 | Very high | 89.2 | Confident | 10 Ų | 10 | 50.9 Ų | 50.9 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.2 | 174.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | F571 Q579 | F571-G581 PolarHBondContact N-O 3.15Å; Q579-G581 PolarHBondContact NE2-O 3.33Å |
| 582 | S | 93.1 | Very high | 88.7 | Confident | 57 Ų | 57 | 51 Ų | 51 | 40% | 0.399 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 146.7 | 170.5 | 54.8 | 0 | 0 | 0 | 0 | 111.8 | I569 | I569-S582 CarbonylContact O-C 3.58Å; I569-S582 VanDerWaalsContact O-CA 3.27Å; I569-S582 WeakPolarHBondContact O-CA 3.38Å |
| 583 | I | 94 | Very high | 88.4 | Confident | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.4 | 175 | -64.9 | 169.9 | 0 | 0 | 0 | 108.6 | E568 I569 F571 Y634 Q639 | E568-I583 CarbonylContact C-O 3.59Å; E568-I583 WeakPolarHBondContact CA-O 3.43Å; I569-I583 HydrophobicContact CB-CB 4.44Å; I569-I583 PolarHBondContact N-O 3.34Å; I569-I583 PolarHBondContact O-N 2.91Å; F571-I583 HydrophobicContact CE2-CD1 3.52Å; F571-I583 HydrophobicContact CE2-CG1 3.84Å; F571-I583 HydrophobicContact CZ-CD1 3.75Å; I583-Y634 HydrophobicContact CD1-CD1 4.32Å; I583-Y634 HydrophobicContact CD1-CG 4.13Å; I583-Y634 HydrophobicContact CG2-CD1 3.75Å; I583-Y634 HydrophobicContact CG2-CE1 3.75Å; I583-Y634 HydrophobicContact CG2-CG 4.31Å; I583-Q639 HydrophobicContact CD1-CB 4.33Å; I583-Q639 HydrophobicContact CG1-CB 3.93Å; I583-Q639 HydrophobicContact CG1-CG 4.35Å |
| 584 | T | 90.6 | Very high | 88.1 | Confident | 95 Ų | 95 | 55.1 Ų | 55.1 | 58% | 0.583 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 85.1 | 178.8 | 48.1 | 0 | 0 | 0 | 0 | 110.8 | E568 R586 | E568-T584 HydrophobicContact CG-CG2 4.14Å; T584-R586 VanDerWaalsContact C-N 3.35Å; T584-R586 PolarHBondContact O-N 3.21Å |
| 585 | G | 85.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 13.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | G567 H587 D588 L589 F610 | G567-G585 PolarHBondContact O-N 3.15Å; G585-H587 VanDerWaalsContact C-N 3.33Å; G585-H587 PolarHBondContact O-N 3.21Å; G585-D588 PolarHBondContact O-N 2.82Å; G585-D588 VanDerWaalsContact O-N 3.17Å; G585-L589 PolarHBondContact O-N 3.13Å; G585-F610 WeakPolarHBondContact O-CZ 3.49Å |
| 586 | R | 84.3 | Confident | 87.7 | Confident | 98 Ų | 98 | 55.8 Ų | 55.8 | 37% | 0.37 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -39.3 | -176.3 | -171.2 | -174.4 | -164.6 | 172.2 | 14.5 | 113.5 | G567 T584 D588 K606 | G567-R586 PolarHBondContact O-N 2.62Å; T584-R586 VanDerWaalsContact C-N 3.35Å; T584-R586 PolarHBondContact O-N 3.21Å; R586-D588 VanDerWaalsContact C-N 3.32Å; R586-K606 PolarHBondContact NH2-O 2.87Å |
| 587 | H | 85.8 | Confident | 87.6 | Confident | 159 Ų | 159 | 53.8 Ų | 53.8 | 74% | 0.736 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -27.5 | 179.2 | -70.3 | -68.5 | 0 | 0 | 0 | 112.1 | G585 L589 E590 | G585-H587 VanDerWaalsContact C-N 3.33Å; G585-H587 PolarHBondContact O-N 3.21Å; H587-L589 VanDerWaalsContact C-N 3.33Å; H587-L589 PolarHBondContact O-N 3.21Å; H587-E590 PolarHBondContact O-N 2.69Å |
| 588 | D | 88.4 | Confident | 87.6 | Confident | 41 Ų | 41 | 62.3 Ų | 62.3 | 22% | 0.219 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -27.6 | -175.4 | -56.2 | -29.7 | 0 | 0 | 0 | 112.2 | G585 R586 E590 Y634 L641 K644 | G585-D588 PolarHBondContact O-N 2.82Å; G585-D588 VanDerWaalsContact O-N 3.17Å; R586-D588 VanDerWaalsContact C-N 3.32Å; D588-E590 PolarHBondContact O-N 3.3Å; D588-E590 VanDerWaalsContact O-N 3.16Å; D588-Y634 WeakPolarHBondContact OD2-CE1 3.34Å; D588-Y634 PolarHBondContact OD2-OH 3.43Å; D588-Y634 VanDerWaalsContact OD2-OH 3.1Å; D588-L641 HydrophobicContact CB-CD2 4.37Å; D588-K644 WeakPolarHBondContact O-CE 3.39Å; D588-K644 PolarHBondContact O-NZ 3.5Å |
| 589 | L | 82.7 | Confident | 87.5 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -6.1 | 178.4 | -83.3 | 168.4 | 0 | 0 | 0 | 114.6 | G585 H587 T591 F610 S628 | G585-L589 PolarHBondContact O-N 3.13Å; H587-L589 VanDerWaalsContact C-N 3.33Å; H587-L589 PolarHBondContact O-N 3.21Å; L589-T591 PolarHBondContact O-N 2.78Å; L589-F610 HydrophobicContact CD1-CD1 3.93Å; L589-F610 HydrophobicContact CD1-CD2 4.22Å; L589-F610 HydrophobicContact CD1-CE1 3.75Å; L589-F610 HydrophobicContact CD1-CE2 4.02Å; L589-F610 HydrophobicContact CD1-CG 4.16Å; L589-F610 HydrophobicContact CD1-CZ 3.77Å; L589-F610 HydrophobicContact CD2-CD1 3.74Å; L589-F610 HydrophobicContact CD2-CE1 3.41Å; L589-F610 VanDerWaalsContact CD2-CE1 3.41Å; L589-F610 HydrophobicContact CD2-CZ 4.13Å; L589-F610 HydrophobicContact CG-CD1 4Å; L589-F610 HydrophobicContact CG-CE1 3.41Å; L589-F610 VanDerWaalsContact CG-CE1 3.41Å; L589-F610 HydrophobicContact CG-CE2 4.33Å; L589-F610 HydrophobicContact CG-CZ 3.58Å; L589-S628 WeakPolarHBondContact O-CB 3.38Å; L589-S628 PolarHBondContact O-OG 2.84Å |
| 590 | E | 83.6 | Confident | 87.4 | Confident | 110 Ų | 110 | 62.2 Ų | 62.2 | 51% | 0.514 | 32% | 0.317 | S | S | . | . | trans | 10.4 | 99.2 | 178.4 | -79.8 | 171.7 | -144.6 | 0 | 0 | 115 | H587 D588 S628 F630 K644 | H587-E590 PolarHBondContact O-N 2.69Å; D588-E590 PolarHBondContact O-N 3.3Å; D588-E590 VanDerWaalsContact O-N 3.16Å; E590-S628 PolarHBondContact O-OG 3.46Å; E590-F630 HydrophobicContact CB-CD2 3.81Å; E590-F630 HydrophobicContact CB-CE2 3.5Å; E590-F630 VanDerWaalsContact CB-CE2 3.5Å; E590-F630 HydrophobicContact CG-CE2 4.49Å; E590-F630 WeakPolarHBondContact O-CD2 3.45Å; E590-F630 WeakPolarHBondContact O-CE2 3.17Å; E590-F630 VanDerWaalsContact OE2-CE2 3.28Å; E590-F630 WeakPolarHBondContact OE2-CE2 3.38Å; E590-F630 WeakPolarHBondContact OE2-CZ 3.35Å; E590-K644 VanDerWaalsContact CB-NZ 3.32Å; E590-K644 IonicContact OE1-NZ 2.69Å; E590-K644 PolarHBondContact OE1-NZ 3.46Å; E590-K644 IonicContact OE2-NZ 2.83Å; E590-K644 PolarHBondContact OE2-NZ 3.47Å | ||
| 591 | T | 81.6 | Confident | 87.2 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | trans | -104.3 | 136.6 | -169.4 | 64.2 | 0 | 0 | 0 | 0 | 110.4 | L589 A601 A605 K608 | L589-T591 PolarHBondContact O-N 2.78Å; T591-A601 WeakPolarHBondContact O-CB 3.47Å; T591-A605 HydrophobicContact CG2-CB 4.29Å; T591-A605 WeakPolarHBondContact OG1-CA 3.38Å; T591-A605 VanDerWaalsContact OG1-CB 3.24Å; T591-A605 WeakPolarHBondContact OG1-CB 3.18Å; T591-K608 HydrophobicContact CG2-CB 4Å; T591-K608 HydrophobicContact CG2-CD 3.43Å; T591-K608 VanDerWaalsContact CG2-CD 3.43Å; T591-K608 HydrophobicContact CG2-CG 3.9Å | ||
| 592 | G | 84.3 | Confident | 87 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 166.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A655 E657 | G592-A655 WeakPolarHBondContact CA-O 3.35Å; G592-A655 PolarHBondContact N-O 3.45Å; G592-E657 CarbonylContact C-O 3.6Å; G592-E657 WeakPolarHBondContact CA-O 3.41Å |
| 593 | R | 88.7 | Confident | 86.8 | Confident | 79 Ų | 79 | 67.5 Ų | 67.5 | 30% | 0.298 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -91.5 | 130.6 | 176.4 | -177.2 | 178.6 | 178.4 | -175.1 | -1.4 | 109.6 | D597 I599 A601 E657 L660 | R593-D597 HydrophobicContact CG-CB 4.19Å; R593-D597 PolarHBondContact NE-O 2.75Å; R593-D597 VanDerWaalsContact NE-O 3.11Å; R593-D597 PolarHBondContact NH2-O 3.08Å; R593-I599 PolarHBondContact NE-O 2.88Å; R593-A601 HydrophobicContact CB-CB 4.09Å; R593-E657 PolarHBondContact N-O 3.19Å; R593-L660 HydrophobicContact CG-CD1 4.12Å |
| 594 | K | 86 | Confident | 86.4 | Confident | 44 Ų | 44 | 68 Ų | 68 | 19% | 0.191 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 150.3 | 172.7 | -63.2 | 179 | 176.6 | -167.5 | 0 | 111.1 | T596 D597 D654 A655 E704 | K594-T596 PolarHBondContact O-N 2.84Å; K594-D597 HydrophobicContact CB-CB 4.01Å; K594-D597 PolarHBondContact O-N 2.89Å; K594-D654 VanDerWaalsContact CA-OD1 3.32Å; K594-D654 WeakPolarHBondContact CA-OD1 2.8Å; K594-D654 VanDerWaalsContact CB-OD2 3.32Å; K594-D654 WeakPolarHBondContact CB-OD2 3.43Å; K594-D654 WeakPolarHBondContact CG-OD2 3.13Å; K594-A655 HydrophobicContact CG-CB 3.81Å; K594-E704 VanDerWaalsContact CE-OE2 3.26Å; K594-E704 WeakPolarHBondContact CE-OE2 3.47Å; K594-E704 IonicContact NZ-OE2 3.69Å; K594-E704 PolarHBondContact NZ-OE2 2.81Å |
| 595 | E | 84.6 | Confident | 86 | Confident | 38 Ų | 38 | 64.4 Ų | 64.4 | 18% | 0.178 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27.4 | 173.6 | -68.4 | 177.8 | 173.6 | 0 | 0 | 112.3 | D654 L660 A672 L673 K702 | E595-D654 PolarHBondContact N-OD1 2.53Å; E595-L660 HydrophobicContact CG-CD2 4.46Å; E595-A672 VanDerWaalsContact CD-CB 3.47Å; E595-A672 WeakPolarHBondContact OE1-CB 3.17Å; E595-A672 WeakPolarHBondContact OE2-CB 3.41Å; E595-L673 HydrophobicContact CB-CD2 4.36Å; E595-L673 HydrophobicContact CB-CG 4.39Å; E595-K702 IonicContact OE1-NZ 3.81Å; E595-K702 PolarHBondContact OE1-NZ 3Å; E595-K702 IonicContact OE2-NZ 3.98Å |
| 596 | T | 84.9 | Confident | 85.8 | Confident | 68 Ų | 68 | 69.6 Ų | 69.6 | 42% | 0.417 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -15.4 | 175.7 | 56.4 | 0 | 0 | 0 | 0 | 114 | K594 K598 L673 F701 | K594-T596 PolarHBondContact O-N 2.84Å; T596-K598 PolarHBondContact O-N 2.94Å; T596-L673 HydrophobicContact CG2-CD1 4Å; T596-L673 HydrophobicContact CG2-CD2 3.76Å; T596-F701 HydrophobicContact CG2-CE2 4.29Å |
| 597 | D | 86.7 | Confident | 85.6 | Confident | 37 Ų | 37 | 67.8 Ų | 67.8 | 20% | 0.198 | 35% | 0.345 | C | S | . | . | trans | -76.6 | 120.8 | -174.3 | -81.1 | -11.4 | 0 | 0 | 0 | 111.5 | R593 K594 I599 | R593-D597 HydrophobicContact CG-CB 4.19Å; R593-D597 PolarHBondContact NE-O 2.75Å; R593-D597 VanDerWaalsContact NE-O 3.11Å; R593-D597 PolarHBondContact NH2-O 3.08Å; K594-D597 HydrophobicContact CB-CB 4.01Å; K594-D597 PolarHBondContact O-N 2.89Å; D597-I599 VanDerWaalsContact C-N 3.3Å; D597-I599 HydrophobicContact CB-CG1 4.44Å | ||
| 598 | K | 87.6 | Confident | 85.5 | Confident | 207 Ų | 207 | 61.4 Ų | 61.4 | 90% | 0.9 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -80.5 | -11.1 | 172.3 | -63.6 | -176.4 | -179.6 | -179.3 | 0 | 113.5 | T596 | T596-K598 PolarHBondContact O-N 2.94Š|
| 599 | I | 90.8 | Very high | 85.6 | Confident | 82 Ų | 82 | 59.7 Ų | 59.7 | 42% | 0.421 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -97.1 | 160.7 | 177.9 | 61.1 | 172.7 | 0 | 0 | 0 | 110.9 | R593 D597 Q603 | R593-I599 PolarHBondContact NE-O 2.88Å; D597-I599 VanDerWaalsContact C-N 3.3Å; D597-I599 HydrophobicContact CB-CG1 4.44Å; I599-Q603 HydrophobicContact CB-CB 4.46Å; I599-Q603 HydrophobicContact CD1-CG 4.44Å |
| 600 | T | 90.1 | Very high | 86.1 | Confident | 87 Ų | 87 | 59.6 Ų | 59.6 | 53% | 0.534 | 31% | 0.306 | S | S | . | . | trans | -72 | 153.3 | 174.5 | 58.6 | 0 | 0 | 0 | 0 | 111.1 | K602 Q603 S604 | T600-K602 VanDerWaalsContact C-N 3.25Å; T600-K602 PolarHBondContact O-N 2.89Å; T600-Q603 PolarHBondContact O-N 2.98Å; T600-S604 PolarHBondContact O-N 3.18Å | ||
| 601 | A | 87.3 | Confident | 86.6 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 3% | 0.033 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -51.9 | -42.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T591 R593 Q603 S604 A605 E658 | T591-A601 WeakPolarHBondContact O-CB 3.47Å; R593-A601 HydrophobicContact CB-CB 4.09Å; A601-Q603 VanDerWaalsContact C-N 3.29Å; A601-Q603 PolarHBondContact O-N 3.24Å; A601-S604 PolarHBondContact O-N 3.16Å; A601-S604 VanDerWaalsContact O-N 3.14Å; A601-A605 WeakPolarHBondContact O-CB 3.27Å; A601-A605 PolarHBondContact O-N 3.08Å; A601-E658 HydrophobicContact CB-CB 4.34Å; A601-E658 HydrophobicContact CB-CG 3.43Å; A601-E658 VanDerWaalsContact CB-CG 3.43Å |
| 602 | K | 87.4 | Confident | 87.1 | Confident | 146 Ų | 146 | 56.1 Ų | 56.1 | 64% | 0.635 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.2 | -34.4 | 177.8 | -65.9 | -175.6 | 179.7 | -180 | 0 | 113.7 | T600 E658 | T600-K602 VanDerWaalsContact C-N 3.25Å; T600-K602 PolarHBondContact O-N 2.89Å; K602-E658 WeakPolarHBondContact CE-OE1 3.32Å |
| 603 | Q | 88.7 | Confident | 87.6 | Confident | 97 Ų | 97 | 55.9 Ų | 55.9 | 45% | 0.453 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -78.9 | -35.3 | 175.8 | -171.2 | 68.6 | 5.7 | 0 | 0 | 111 | I599 T600 A601 K606 | I599-Q603 HydrophobicContact CB-CB 4.46Å; I599-Q603 HydrophobicContact CD1-CG 4.44Å; T600-Q603 PolarHBondContact O-N 2.98Å; A601-Q603 VanDerWaalsContact C-N 3.29Å; A601-Q603 PolarHBondContact O-N 3.24Å; Q603-K606 VanDerWaalsContact O-CB 3.28Å; Q603-K606 WeakPolarHBondContact O-CB 3.24Å; Q603-K606 PolarHBondContact O-N 3.08Å; Q603-K606 VanDerWaalsContact OE1-CE 3.3Å |
| 604 | S | 85.3 | Confident | 87.9 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 15% | 0.154 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 173.8 | -169.9 | 0 | 0 | 0 | 0 | 111.8 | T600 A601 K606 G607 | T600-S604 PolarHBondContact O-N 3.18Å; A601-S604 PolarHBondContact O-N 3.16Å; A601-S604 VanDerWaalsContact O-N 3.14Å; S604-K606 PolarHBondContact O-N 3.03Å; S604-G607 PolarHBondContact O-N 3.3Å |
| 605 | A | 82 | Confident | 88.3 | Confident | 20 Ų | 20 | 51 Ų | 51 | 17% | 0.165 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -54.1 | -27.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T591 A601 G607 K608 | T591-A605 HydrophobicContact CG2-CB 4.29Å; T591-A605 WeakPolarHBondContact OG1-CA 3.38Å; T591-A605 VanDerWaalsContact OG1-CB 3.24Å; T591-A605 WeakPolarHBondContact OG1-CB 3.18Å; A601-A605 WeakPolarHBondContact O-CB 3.27Å; A601-A605 PolarHBondContact O-N 3.08Å; A605-G607 PolarHBondContact O-N 3.24Å; A605-K608 PolarHBondContact O-N 3.22Å |
| 606 | K | 80.5 | Confident | 88.6 | Confident | 108 Ų | 108 | 49.2 Ų | 49.2 | 47% | 0.47 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -62.9 | -27.6 | 178 | -70.2 | -174.8 | -177.8 | 167.3 | 0 | 113.3 | R586 Q603 S604 | R586-K606 PolarHBondContact NH2-O 2.87Å; Q603-K606 VanDerWaalsContact O-CB 3.28Å; Q603-K606 WeakPolarHBondContact O-CB 3.24Å; Q603-K606 PolarHBondContact O-N 3.08Å; Q603-K606 VanDerWaalsContact OE1-CE 3.3Å; S604-K606 PolarHBondContact O-N 3.03Å |
| 607 | G | 80.1 | Confident | 88.7 | Confident | 60 Ų | 60 | 46.7 Ų | 46.7 | 62% | 0.619 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -94.3 | 1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S604 A605 | S604-G607 PolarHBondContact O-N 3.3Å; A605-G607 PolarHBondContact O-N 3.24Å |
| 608 | K | 85.1 | Confident | 88.5 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | trans | -100.6 | 145.5 | -176.1 | -53.6 | -144.5 | -156.2 | 176.1 | 0 | 111.7 | T591 A605 H627 | T591-K608 HydrophobicContact CG2-CB 4Å; T591-K608 HydrophobicContact CG2-CD 3.43Å; T591-K608 VanDerWaalsContact CG2-CD 3.43Å; T591-K608 HydrophobicContact CG2-CG 3.9Å; A605-K608 PolarHBondContact O-N 3.22Å; K608-H627 HydrophobicContact CD-CB 4.08Å; K608-H627 WeakPolarHBondContact CD-O 3.41Å; K608-H627 PolarHBondContact NZ-O 3.49Å | ||
| 609 | S | 90.4 | Very high | 88.5 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.028 | 20% | 0.202 | C | C | . | . | trans | -143.3 | 167.4 | -173.8 | 61 | 0 | 0 | 0 | 0 | 111.7 | L549 L565 | L549-S609 WeakPolarHBondContact CD1-OG 3.33Å; L565-S609 WeakPolarHBondContact O-CB 3.42Å | ||
| 610 | F | 93.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 127.6 | 168.1 | -58.7 | -71.4 | 0 | 0 | 0 | 109.5 | L549 A563 I569 G585 L589 A624 G625 Y634 | L549-F610 WeakPolarHBondContact CD1-O 3.27Å; A563-F610 HydrophobicContact CB-CB 4.2Å; I569-F610 HydrophobicContact CD1-CD2 4.17Å; I569-F610 HydrophobicContact CD1-CE2 4.26Å; I569-F610 HydrophobicContact CG1-CD2 4.08Å; I569-F610 HydrophobicContact CG1-CE2 4.41Å; G585-F610 WeakPolarHBondContact O-CZ 3.49Å; L589-F610 HydrophobicContact CD1-CD1 3.93Å; L589-F610 HydrophobicContact CD1-CD2 4.22Å; L589-F610 HydrophobicContact CD1-CE1 3.75Å; L589-F610 HydrophobicContact CD1-CE2 4.02Å; L589-F610 HydrophobicContact CD1-CG 4.16Å; L589-F610 HydrophobicContact CD1-CZ 3.77Å; L589-F610 HydrophobicContact CD2-CD1 3.74Å; L589-F610 HydrophobicContact CD2-CE1 3.41Å; L589-F610 VanDerWaalsContact CD2-CE1 3.41Å; L589-F610 HydrophobicContact CD2-CZ 4.13Å; L589-F610 HydrophobicContact CG-CD1 4Å; L589-F610 HydrophobicContact CG-CE1 3.41Å; L589-F610 VanDerWaalsContact CG-CE1 3.41Å; L589-F610 HydrophobicContact CG-CE2 4.33Å; L589-F610 HydrophobicContact CG-CZ 3.58Å; F610-A624 HydrophobicContact CD1-CB 3.49Å; F610-A624 VanDerWaalsContact CD1-CB 3.49Å; F610-A624 HydrophobicContact CD2-CB 4.49Å; F610-A624 HydrophobicContact CE1-CB 3.7Å; F610-A624 HydrophobicContact CG-CB 3.93Å; F610-A624 HydrophobicContact CZ-CB 4.33Å; F610-G625 CarbonylContact C-O 3.52Å; F610-G625 WeakPolarHBondContact CA-O 3.33Å; F610-Y634 HydrophobicContact CZ-CE2 4.37Å; F610-Y634 WeakPolarHBondContact CZ-OH 3.34Å |
| 611 | T | 92.3 | Very high | 88.4 | Confident | 41 Ų | 41 | 31.5 Ų | 31.5 | 25% | 0.252 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -18.9 | 176.4 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | C550 G625 G626 H627 V707 | C550-T611 WeakPolarHBondContact CB-O 3.19Å; T611-G625 PolarHBondContact N-O 2.93Å; T611-G626 WeakPolarHBondContact OG1-CA 3.35Å; T611-H627 WeakPolarHBondContact CG2-CE1 3.48Å; T611-H627 WeakPolarHBondContact CG2-ND1 3.5Å; T611-V707 PolarHBondContact OG1-O 3.12Å |
| 612 | A | 93.3 | Very high | 88.8 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 3% | 0.033 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 130.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | G625 L710 | A612-G625 PolarHBondContact N-O 3.02Å; A612-G625 PolarHBondContact O-N 3.05Å; A612-L710 HydrophobicContact CB-CB 4.35Å; A612-L710 HydrophobicContact CB-CD1 4.37Å; A612-L710 HydrophobicContact CB-CG 4.33Å |
| 613 | L | 95.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 149.1 | 171.4 | -65.5 | -178.2 | 0 | 0 | 0 | 110.3 | C550 T552 A561 A563 I569 I622 L623 A624 R711 | C550-L613 PolarHBondContact SG-N 2.73Å; T552-L613 HydrophobicContact CG2-CB 3.61Å; T552-L613 HydrophobicContact CG2-CD1 4.43Å; A561-L613 HydrophobicContact CB-CD1 4.22Å; A563-L613 HydrophobicContact CB-CD1 3.54Å; A563-L613 HydrophobicContact CB-CD2 4.31Å; A563-L613 HydrophobicContact CB-CG 3.78Å; I569-L613 HydrophobicContact CD1-CD2 3.85Å; I569-L613 HydrophobicContact CG1-CD2 4.17Å; I569-L613 HydrophobicContact CG2-CD1 4.08Å; L613-I622 HydrophobicContact CB-CD1 4.31Å; L613-I622 HydrophobicContact CD1-CD1 4.22Å; L613-I622 HydrophobicContact CD2-CD1 4.31Å; L613-L623 WeakPolarHBondContact CA-O 3.38Å; L613-A624 HydrophobicContact CD2-CB 3.5Å; L613-R711 PolarHBondContact O-NH1 2.86Å |
| 614 | C | 94.4 | Very high | 89.4 | Confident | 11 Ų | 11 | 19.8 Ų | 19.8 | 7% | 0.074 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 126.3 | 170.6 | -176.9 | 0 | 0 | 0 | 0 | 110.8 | L623 L710 F712 | C614-L623 HydrophobicContact CB-CB 4.48Å; C614-L623 PolarHBondContact N-O 2.9Å; C614-L623 PolarHBondContact O-N 3.31Å; C614-L710 HydrophobicContact CB-CB 4.46Å; C614-L710 WeakPolarHBondContact CB-O 2.98Å; C614-F712 PolarHBondContact SG-N 2.83Å |
| 615 | Y | 93.9 | Very high | 89.8 | Confident | 9 Ų | 9 | 18.7 Ų | 18.7 | 4% | 0.035 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 147.8 | 168.3 | -80.4 | -88.7 | 0 | 0 | 0 | 111.6 | T552 Y553 R554 A561 F571 I622 I636 F712 | T552-Y615 HydrophobicContact CG2-CD2 3.6Å; T552-Y615 HydrophobicContact CG2-CE2 3.73Å; T552-Y615 WeakPolarHBondContact O-CE2 3.37Å; Y553-Y615 VanDerWaalsContact C-CD2 3.41Å; Y553-Y615 VanDerWaalsContact O-CD2 3.24Å; Y553-Y615 WeakPolarHBondContact O-CD2 3.44Å; R554-Y615 HydrophobicContact CB-CD1 4.11Å; R554-Y615 HydrophobicContact CB-CD2 4.4Å; R554-Y615 HydrophobicContact CB-CE1 3.96Å; R554-Y615 HydrophobicContact CB-CE2 4.27Å; R554-Y615 HydrophobicContact CB-CG 4.31Å; R554-Y615 HydrophobicContact CG-CD1 4.14Å; R554-Y615 HydrophobicContact CG-CE1 4.22Å; A561-Y615 HydrophobicContact CB-CE2 3.49Å; A561-Y615 VanDerWaalsContact CB-CE2 3.49Å; A561-Y615 VanDerWaalsContact CB-OH 3.3Å; A561-Y615 WeakPolarHBondContact CB-OH 3.46Å; A561-Y615 PolarHBondContact N-OH 3.22Å; F571-Y615 WeakPolarHBondContact CD1-OH 3.17Å; Y615-I622 HydrophobicContact CD2-CD1 4.5Å; Y615-I622 HydrophobicContact CE2-CD1 4.28Å; Y615-I636 HydrophobicContact CD1-CD1 3.52Å; Y615-I636 HydrophobicContact CE1-CD1 3.28Å; Y615-I636 HydrophobicContact CE1-CG1 4.14Å; Y615-F712 VanDerWaalsContact O-CD2 3.24Å; Y615-F712 WeakPolarHBondContact O-CD2 3.38Å |
| 616 | S | 91.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -66.2 | 155.6 | 166.1 | 57.7 | 0 | 0 | 0 | 0 | 111.2 | P555 D618 G619 E620 S621 F712 | P555-S616 WeakPolarHBondContact CG-O 3.44Å; S616-D618 WeakPolarHBondContact CB-OD1 3.39Å; S616-D618 PolarHBondContact O-N 3.41Å; S616-D618 PolarHBondContact OG-OD1 3.04Å; S616-G619 WeakPolarHBondContact O-CA 3.27Å; S616-G619 PolarHBondContact O-N 3.4Å; S616-E620 PolarHBondContact OG-N 3.42Å; S616-S621 WeakPolarHBondContact CB-OG 3.26Å; S616-S621 PolarHBondContact N-O 2.71Å; S616-S621 PolarHBondContact OG-N 3.32Å; S616-S621 PolarHBondContact OG-O 3.2Å; S616-S621 PolarHBondContact OG-OG 2.95Å; S616-F712 VanDerWaalsContact CA-CD2 3.42Å | ||
| 617 | A | 86.3 | Confident | 90.5 | Very high | 15 Ų | 15 | 15.6 Ų | 15.6 | 12% | 0.124 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -24.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P714 P845 | A617-P714 WeakPolarHBondContact CB-O 3.17Å; A617-P845 HydrophobicContact CB-CB 4.28Å; A617-P845 HydrophobicContact CB-CG 3.76Å |
| 618 | D | 83.3 | Confident | 90.9 | Very high | 17 Ų | 17 | 12.9 Ų | 12.9 | 9% | 0.091 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -10 | 172.5 | 61.4 | -8.8 | 0 | 0 | 0 | 113.5 | M1 S616 E620 | M1-D618 WeakPolarHBondContact CB-OD2 3.27Å; M1-D618 VanDerWaalsContact CG-OD2 3.27Å; M1-D618 WeakPolarHBondContact CG-OD2 2.99Å; M1-D618 PolarHBondContact N-OD2 3.39Å; S616-D618 WeakPolarHBondContact CB-OD1 3.39Å; S616-D618 PolarHBondContact O-N 3.41Å; S616-D618 PolarHBondContact OG-OD1 3.04Å; D618-E620 VanDerWaalsContact C-N 3.26Å; D618-E620 HydrophobicContact CB-CG 4.44Å; D618-E620 PolarHBondContact O-N 3.4Å; D618-E620 PolarHBondContact OD1-N 3.48Å |
| 619 | G | 87.4 | Confident | 91.1 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.01 | 7% | 0.071 | C | C | . | . | S | Bend | trans | 72.8 | 7.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R554 S616 I636 | R554-G619 PolarHBondContact NE-O 2.94Å; S616-G619 WeakPolarHBondContact O-CA 3.27Å; S616-G619 PolarHBondContact O-N 3.4Å; G619-I636 WeakPolarHBondContact O-CD1 3.13Å |
| 620 | E | 88.3 | Confident | 91.2 | Very high | 73 Ų | 73 | 14 Ų | 14 | 34% | 0.341 | 7% | 0.073 | S | C | . | . | S | Bend | trans | -84.6 | -25.1 | -178.9 | -61.3 | -162.1 | 131.8 | 0 | 0 | 113.8 | M1 S616 D618 N635 I636 K637 | M1-E620 PolarHBondContact N-OE2 3.47Å; M1-E620 VanDerWaalsContact N-OE2 3.11Å; S616-E620 PolarHBondContact OG-N 3.42Å; D618-E620 VanDerWaalsContact C-N 3.26Å; D618-E620 HydrophobicContact CB-CG 4.44Å; D618-E620 PolarHBondContact O-N 3.4Å; D618-E620 PolarHBondContact OD1-N 3.48Å; E620-N635 PolarHBondContact O-OD1 3.14Å; E620-I636 PolarHBondContact O-N 3.23Å; E620-I636 VanDerWaalsContact O-N 3.13Å; E620-K637 IonicContact OE1-NZ 2.86Å; E620-K637 PolarHBondContact OE1-NZ 3.07Å |
| 621 | S | 91.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 14 Ų | 14 | 3% | 0.028 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 159.7 | -175.2 | 62.5 | 0 | 0 | 0 | 0 | 112.5 | S616 Y634 | S616-S621 WeakPolarHBondContact CB-OG 3.26Å; S616-S621 PolarHBondContact N-O 2.71Å; S616-S621 PolarHBondContact OG-N 3.32Å; S616-S621 PolarHBondContact OG-O 3.2Å; S616-S621 PolarHBondContact OG-OG 2.95Å; S621-Y634 CarbonylContact C-O 3.58Å; S621-Y634 WeakPolarHBondContact CA-O 3.48Å; S621-Y634 VanDerWaalsContact CB-O 3.31Å; S621-Y634 WeakPolarHBondContact CB-O 3.48Å |
| 622 | I | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 131.2 | 176.3 | -168.8 | 167 | 0 | 0 | 0 | 110.3 | T552 A561 I569 F571 L613 Y615 I633 Y634 I636 | T552-I622 HydrophobicContact CG2-CD1 4.29Å; A561-I622 HydrophobicContact CB-CD1 3.36Å; I569-I622 HydrophobicContact CG2-CD1 4.29Å; F571-I622 HydrophobicContact CE1-CD1 4.11Å; F571-I622 HydrophobicContact CE1-CG2 4.39Å; F571-I622 HydrophobicContact CZ-CG2 4.15Å; L613-I622 HydrophobicContact CB-CD1 4.31Å; L613-I622 HydrophobicContact CD1-CD1 4.22Å; L613-I622 HydrophobicContact CD2-CD1 4.31Å; Y615-I622 HydrophobicContact CD2-CD1 4.5Å; Y615-I622 HydrophobicContact CE2-CD1 4.28Å; I622-I633 WeakPolarHBondContact O-CA 3.49Å; I622-Y634 HydrophobicContact CG2-CD2 4.25Å; I622-Y634 PolarHBondContact N-O 2.92Å; I622-Y634 PolarHBondContact O-N 3.43Å; I622-I636 HydrophobicContact CB-CG1 4.39Å; I622-I636 HydrophobicContact CG2-CG1 4.3Å |
| 623 | L | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 133.5 | 168.4 | -88.1 | 171 | 0 | 0 | 0 | 109.3 | L613 C614 V631 C632 I633 L710 F712 W719 | L613-L623 WeakPolarHBondContact CA-O 3.38Å; C614-L623 HydrophobicContact CB-CB 4.48Å; C614-L623 PolarHBondContact N-O 2.9Å; C614-L623 PolarHBondContact O-N 3.31Å; L623-V631 HydrophobicContact CD2-CG1 3.45Å; L623-V631 VanDerWaalsContact CD2-CG1 3.45Å; L623-C632 WeakPolarHBondContact CA-O 3.25Å; L623-I633 HydrophobicContact CD2-CD1 3.79Å; L623-I633 HydrophobicContact CD2-CG1 3.2Å; L623-I633 HydrophobicContact CG-CD1 4.39Å; L623-I633 HydrophobicContact CG-CG1 3.9Å; L623-L710 HydrophobicContact CB-CD1 4.45Å; L623-F712 HydrophobicContact CB-CD2 4.48Å; L623-F712 HydrophobicContact CB-CE2 3.87Å; L623-F712 HydrophobicContact CD1-CD1 4.25Å; L623-F712 HydrophobicContact CD1-CD2 3.5Å; L623-F712 VanDerWaalsContact CD1-CD2 3.5Å; L623-F712 HydrophobicContact CD1-CE1 3.89Å; L623-F712 HydrophobicContact CD1-CE2 3.14Å; L623-F712 HydrophobicContact CD1-CG 4.07Å; L623-F712 HydrophobicContact CD1-CZ 3.34Å; L623-F712 HydrophobicContact CG-CD2 4.1Å; L623-F712 HydrophobicContact CG-CE1 4.49Å; L623-F712 HydrophobicContact CG-CE2 3.29Å; L623-F712 HydrophobicContact CG-CZ 3.52Å; L623-W719 HydrophobicContact CD1-CB 3.7Å; L623-W719 HydrophobicContact CD1-CD2 3.89Å; L623-W719 HydrophobicContact CD1-CE3 4.17Å; L623-W719 HydrophobicContact CD1-CG 3.7Å; L623-W719 HydrophobicContact CD2-CD2 4.4Å |
| 624 | A | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 134.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | I569 F610 L613 C632 Y634 | I569-A624 HydrophobicContact CD1-CB 3.73Å; F610-A624 HydrophobicContact CD1-CB 3.49Å; F610-A624 VanDerWaalsContact CD1-CB 3.49Å; F610-A624 HydrophobicContact CD2-CB 4.49Å; F610-A624 HydrophobicContact CE1-CB 3.7Å; F610-A624 HydrophobicContact CG-CB 3.93Å; F610-A624 HydrophobicContact CZ-CB 4.33Å; L613-A624 HydrophobicContact CD2-CB 3.5Å; A624-C632 PolarHBondContact N-O 3.2Å; A624-C632 PolarHBondContact O-N 2.59Å; A624-Y634 HydrophobicContact CB-CD2 4.32Å; A624-Y634 HydrophobicContact CB-CE2 3.85Å |
| 625 | G | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 166.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F610 T611 A612 | F610-G625 CarbonylContact C-O 3.52Å; F610-G625 WeakPolarHBondContact CA-O 3.33Å; T611-G625 PolarHBondContact N-O 2.93Å; A612-G625 PolarHBondContact N-O 3.02Å; A612-G625 PolarHBondContact O-N 3.05Å |
| 626 | G | 90.3 | Very high | 91 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.6 | -132.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T611 S628 V707 | T611-G626 WeakPolarHBondContact OG1-CA 3.35Å; G626-S628 PolarHBondContact O-N 3.2Å; G626-V707 PolarHBondContact O-N 2.92Å |
| 627 | H | 87.2 | Confident | 90.9 | Very high | 62 Ų | 62 | 19.8 Ų | 19.8 | 29% | 0.287 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -77.3 | 55.4 | -177.6 | -63 | 99.9 | 0 | 0 | 0 | 112.6 | K608 T611 | K608-H627 HydrophobicContact CD-CB 4.08Å; K608-H627 WeakPolarHBondContact CD-O 3.41Å; K608-H627 PolarHBondContact NZ-O 3.49Å; T611-H627 WeakPolarHBondContact CG2-CE1 3.48Å; T611-H627 WeakPolarHBondContact CG2-ND1 3.5Å |
| 628 | S | 88.7 | Confident | 91 | Very high | 4 Ų | 4 | 25 Ų | 25 | 3% | 0.028 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -149.5 | 164.2 | 177.6 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | L589 E590 G626 F630 | L589-S628 WeakPolarHBondContact O-CB 3.38Å; L589-S628 PolarHBondContact O-OG 2.84Å; E590-S628 PolarHBondContact O-OG 3.46Å; G626-S628 PolarHBondContact O-N 3.2Å; S628-F630 PolarHBondContact O-N 3.26Å; S628-F630 PolarHBondContact OG-N 3.07Å; S628-F630 VanDerWaalsContact OG-N 3.16Å |
| 629 | K | 88.8 | Confident | 91.4 | Very high | 36 Ų | 36 | 28.2 Ų | 28.2 | 16% | 0.157 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -74.6 | -5.7 | 168 | 71.2 | 177.9 | -178.5 | 165.8 | 0 | 113.7 | E646 I647 M656 I705 | K629-E646 HydrophobicContact CD-CG 4.49Å; K629-E646 WeakPolarHBondContact CE-OE1 3.4Å; K629-E646 IonicContact NZ-OE1 2.72Å; K629-E646 PolarHBondContact NZ-OE1 3.37Å; K629-I647 VanDerWaalsContact O-CB 3.23Å; K629-I647 WeakPolarHBondContact O-CB 3.32Å; K629-I647 WeakPolarHBondContact O-CD1 3.45Å; K629-I647 WeakPolarHBondContact O-CG1 3.23Å; K629-I647 PolarHBondContact O-N 3.5Å; K629-M656 HydrophobicContact CD-CE 4.3Å; K629-M656 PolarHBondContact NZ-O 2.87Å; K629-M656 VanDerWaalsContact NZ-O 3.12Å; K629-I705 HydrophobicContact CB-CG1 4.49Å; K629-I705 HydrophobicContact CB-CG2 3.64Å |
| 630 | F | 92.1 | Very high | 91.5 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 8% | 0.079 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 139.7 | -175.2 | -64.6 | -68.7 | 0 | 0 | 0 | 113.4 | E590 S628 K644 F645 E646 | E590-F630 HydrophobicContact CB-CD2 3.81Å; E590-F630 HydrophobicContact CB-CE2 3.5Å; E590-F630 VanDerWaalsContact CB-CE2 3.5Å; E590-F630 HydrophobicContact CG-CE2 4.49Å; E590-F630 WeakPolarHBondContact O-CD2 3.45Å; E590-F630 WeakPolarHBondContact O-CE2 3.17Å; E590-F630 VanDerWaalsContact OE2-CE2 3.28Å; E590-F630 WeakPolarHBondContact OE2-CE2 3.38Å; E590-F630 WeakPolarHBondContact OE2-CZ 3.35Å; S628-F630 PolarHBondContact O-N 3.26Å; S628-F630 PolarHBondContact OG-N 3.07Å; S628-F630 VanDerWaalsContact OG-N 3.16Å; F630-K644 HydrophobicContact CB-CD 4.36Å; F630-K644 HydrophobicContact CB-CG 4.02Å; F630-K644 HydrophobicContact CD1-CD 4.01Å; F630-K644 HydrophobicContact CD1-CG 3.71Å; F630-K644 HydrophobicContact CE1-CD 4.35Å; F630-K644 HydrophobicContact CE1-CG 4.34Å; F630-K644 VanDerWaalsContact CE2-CE 3.44Å; F630-K644 HydrophobicContact CG-CD 4.12Å; F630-K644 HydrophobicContact CG-CG 4.04Å; F630-F645 VanDerWaalsContact CA-O 3.31Å; F630-F645 WeakPolarHBondContact CA-O 3Å; F630-E646 HydrophobicContact CD1-CB 4.07Å; F630-E646 HydrophobicContact CD1-CG 4.39Å; F630-E646 HydrophobicContact CE1-CB 3.76Å; F630-E646 HydrophobicContact CE1-CG 3.92Å |
| 631 | V | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 133.1 | 165 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | L623 K644 F645 I647 V707 L710 W719 | L623-V631 HydrophobicContact CD2-CG1 3.45Å; L623-V631 VanDerWaalsContact CD2-CG1 3.45Å; V631-K644 CarbonylContact O-C 3.57Å; V631-K644 WeakPolarHBondContact O-CA 3.39Å; V631-F645 HydrophobicContact CB-CB 4.35Å; V631-F645 PolarHBondContact N-O 3.17Å; V631-F645 PolarHBondContact O-N 3.41Å; V631-I647 HydrophobicContact CG2-CD1 3.49Å; V631-I647 VanDerWaalsContact CG2-CD1 3.49Å; V631-I647 HydrophobicContact CG2-CG1 3.88Å; V631-V707 HydrophobicContact CG2-CG2 3.98Å; V631-L710 HydrophobicContact CG1-CD1 4.1Å; V631-L710 HydrophobicContact CG1-CD2 4.18Å; V631-L710 HydrophobicContact CG2-CD2 4.13Å; V631-W719 HydrophobicContact CB-CH2 4.33Å; V631-W719 HydrophobicContact CG1-CH2 4.23Å; V631-W719 HydrophobicContact CG1-CZ3 4.33Å |
| 632 | C | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136.6 | -179.3 | -65.3 | 0 | 0 | 0 | 0 | 110.2 | L623 A624 Y634 L641 | L623-C632 WeakPolarHBondContact CA-O 3.25Å; A624-C632 PolarHBondContact N-O 3.2Å; A624-C632 PolarHBondContact O-N 2.59Å; C632-Y634 HydrophobicContact CB-CD2 4.31Å; C632-Y634 HydrophobicContact CB-CE1 4.49Å; C632-Y634 HydrophobicContact CB-CE2 3.5Å; C632-Y634 WeakPolarHBondContact CB-OH 3.15Å; C632-L641 HydrophobicContact CB-CD1 3.55Å |
| 633 | I | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 124.7 | 166.6 | -66.5 | 178.7 | 0 | 0 | 0 | 108.3 | F3 Y5 I622 L623 L642 K643 F645 | F3-I633 HydrophobicContact CD1-CG2 4.34Å; F3-I633 HydrophobicContact CE1-CG2 4.49Å; Y5-I633 HydrophobicContact CD2-CD1 4.01Å; Y5-I633 HydrophobicContact CE2-CD1 4.12Å; I622-I633 WeakPolarHBondContact O-CA 3.49Å; L623-I633 HydrophobicContact CD2-CD1 3.79Å; L623-I633 HydrophobicContact CD2-CG1 3.2Å; L623-I633 HydrophobicContact CG-CD1 4.39Å; L623-I633 HydrophobicContact CG-CG1 3.9Å; I633-L642 HydrophobicContact CG2-CB 4.37Å; I633-L642 HydrophobicContact CG2-CD1 3.93Å; I633-L642 WeakPolarHBondContact O-CB 3.38Å; I633-L642 PolarHBondContact O-N 2.81Å; I633-K643 PolarHBondContact N-O 3.16Å; I633-K643 PolarHBondContact O-N 2.83Å; I633-F645 HydrophobicContact CB-CE2 4.44Å; I633-F645 HydrophobicContact CD1-CD2 4.39Å; I633-F645 HydrophobicContact CD1-CE2 3.34Å; I633-F645 HydrophobicContact CD1-CZ 3.79Å; I633-F645 HydrophobicContact CG1-CD2 4.41Å; I633-F645 HydrophobicContact CG1-CE2 3.68Å |
| 634 | Y | 93.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 146 | 174.6 | -54.9 | -86.9 | 0 | 0 | 0 | 111.3 | I569 I583 D588 F610 S621 I622 A624 C632 M640 L641 | I569-Y634 HydrophobicContact CD1-CD2 4.02Å; I569-Y634 HydrophobicContact CD1-CE2 3.81Å; I583-Y634 HydrophobicContact CD1-CD1 4.32Å; I583-Y634 HydrophobicContact CD1-CG 4.13Å; I583-Y634 HydrophobicContact CG2-CD1 3.75Å; I583-Y634 HydrophobicContact CG2-CE1 3.75Å; I583-Y634 HydrophobicContact CG2-CG 4.31Å; D588-Y634 WeakPolarHBondContact OD2-CE1 3.34Å; D588-Y634 PolarHBondContact OD2-OH 3.43Å; D588-Y634 VanDerWaalsContact OD2-OH 3.1Å; F610-Y634 HydrophobicContact CZ-CE2 4.37Å; F610-Y634 WeakPolarHBondContact CZ-OH 3.34Å; S621-Y634 CarbonylContact C-O 3.58Å; S621-Y634 WeakPolarHBondContact CA-O 3.48Å; S621-Y634 VanDerWaalsContact CB-O 3.31Å; S621-Y634 WeakPolarHBondContact CB-O 3.48Å; I622-Y634 HydrophobicContact CG2-CD2 4.25Å; I622-Y634 PolarHBondContact N-O 2.92Å; I622-Y634 PolarHBondContact O-N 3.43Å; A624-Y634 HydrophobicContact CB-CD2 4.32Å; A624-Y634 HydrophobicContact CB-CE2 3.85Å; C632-Y634 HydrophobicContact CB-CD2 4.31Å; C632-Y634 HydrophobicContact CB-CE1 4.49Å; C632-Y634 HydrophobicContact CB-CE2 3.5Å; C632-Y634 WeakPolarHBondContact CB-OH 3.15Å; Y634-M640 CarbonylContact C-O 3.49Å; Y634-M640 WeakPolarHBondContact CA-O 3.46Å; Y634-L641 HydrophobicContact CD1-CB 3.91Å; Y634-L641 HydrophobicContact CD1-CD1 3.88Å; Y634-L641 HydrophobicContact CE1-CB 3.83Å; Y634-L641 HydrophobicContact CE1-CD1 3.53Å; Y634-L641 HydrophobicContact CE1-CG 4.26Å; Y634-L641 HydrophobicContact CG-CD1 4.5Å |
| 635 | N | 92.8 | Very high | 91.2 | Very high | 22 Ų | 22 | 41.5 Ų | 41.5 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 128.6 | 165.5 | -172.8 | -10.5 | 0 | 0 | 0 | 108.8 | E620 K637 E638 Q639 M640 L642 | E620-N635 PolarHBondContact O-OD1 3.14Å; N635-K637 PolarHBondContact OD1-N 2.86Å; N635-E638 HydrophobicContact CB-CB 4.27Å; N635-E638 WeakPolarHBondContact ND2-CG 3.24Å; N635-E638 PolarHBondContact ND2-OE2 3.43Å; N635-Q639 VanDerWaalsContact O-CA 3.22Å; N635-Q639 WeakPolarHBondContact O-CA 3.38Å; N635-Q639 PolarHBondContact O-N 3.26Å; N635-M640 PolarHBondContact N-O 2.89Å; N635-M640 PolarHBondContact O-N 2.79Å; N635-L642 HydrophobicContact CB-CD1 3.8Å; N635-L642 HydrophobicContact CB-CD2 4.17Å; N635-L642 HydrophobicContact CB-CG 3.95Å |
| 636 | I | 90.6 | Very high | 91.1 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -42.7 | -176.5 | -62.5 | 148.4 | 0 | 0 | 0 | 111 | F571 Y615 G619 E620 I622 Q639 | F571-I636 HydrophobicContact CD1-CG2 4.38Å; F571-I636 HydrophobicContact CE1-CG1 4.06Å; F571-I636 HydrophobicContact CE1-CG2 4.25Å; F571-I636 HydrophobicContact CZ-CG1 4.17Å; F571-I636 HydrophobicContact CZ-CG2 4.38Å; Y615-I636 HydrophobicContact CD1-CD1 3.52Å; Y615-I636 HydrophobicContact CE1-CD1 3.28Å; Y615-I636 HydrophobicContact CE1-CG1 4.14Å; G619-I636 WeakPolarHBondContact O-CD1 3.13Å; E620-I636 PolarHBondContact O-N 3.23Å; E620-I636 VanDerWaalsContact O-N 3.13Å; I622-I636 HydrophobicContact CB-CG1 4.39Å; I622-I636 HydrophobicContact CG2-CG1 4.3Å; I636-Q639 WeakPolarHBondContact O-CG 3.3Å; I636-Q639 PolarHBondContact O-N 2.85Å |
| 637 | K | 89 | Confident | 91 | Very high | 151 Ų | 151 | 46 Ų | 46 | 66% | 0.657 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -42.5 | -176.7 | -68.7 | 176.3 | -177.7 | 162.8 | 0 | 111.8 | E620 N635 | E620-K637 IonicContact OE1-NZ 2.86Å; E620-K637 PolarHBondContact OE1-NZ 3.07Å; N635-K637 PolarHBondContact OD1-N 2.86Å |
| 638 | E | 89.1 | Confident | 91.1 | Very high | 126 Ų | 126 | 43.1 Ų | 43.1 | 59% | 0.589 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -14.6 | -178.1 | -65.9 | 173.1 | 170.6 | 0 | 0 | 112.7 | N635 M640 | N635-E638 HydrophobicContact CB-CB 4.27Å; N635-E638 WeakPolarHBondContact ND2-CG 3.24Å; N635-E638 PolarHBondContact ND2-OE2 3.43Å; E638-M640 HydrophobicContact CB-CB 4.37Å; E638-M640 HydrophobicContact CB-CG 4.22Å; E638-M640 WeakPolarHBondContact O-CG 3.41Å; E638-M640 PolarHBondContact O-N 2.99Å |
| 639 | Q | 90.6 | Very high | 91.1 | Very high | 84 Ų | 84 | 44.9 Ų | 44.9 | 39% | 0.393 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 30.2 | -175.5 | -59.2 | 176.6 | 0.2 | 0 | 0 | 113.7 | I583 N635 I636 | I583-Q639 HydrophobicContact CD1-CB 4.33Å; I583-Q639 HydrophobicContact CG1-CB 3.93Å; I583-Q639 HydrophobicContact CG1-CG 4.35Å; N635-Q639 VanDerWaalsContact O-CA 3.22Å; N635-Q639 WeakPolarHBondContact O-CA 3.38Å; N635-Q639 PolarHBondContact O-N 3.26Å; I636-Q639 WeakPolarHBondContact O-CG 3.3Å; I636-Q639 PolarHBondContact O-N 2.85Å |
| 640 | M | 90.6 | Very high | 91.2 | Very high | 119 Ų | 119 | 43.2 Ų | 43.2 | 59% | 0.586 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 145.9 | -176.1 | -69 | -62.3 | -69.8 | 0 | 0 | 112 | Y634 N635 E638 L642 | Y634-M640 CarbonylContact C-O 3.49Å; Y634-M640 WeakPolarHBondContact CA-O 3.46Å; N635-M640 PolarHBondContact N-O 2.89Å; N635-M640 PolarHBondContact O-N 2.79Å; E638-M640 HydrophobicContact CB-CB 4.37Å; E638-M640 HydrophobicContact CB-CG 4.22Å; E638-M640 WeakPolarHBondContact O-CG 3.41Å; E638-M640 PolarHBondContact O-N 2.99Å; M640-L642 PolarHBondContact O-N 2.82Å |
| 641 | L | 91.9 | Very high | 91 | Very high | 61 Ų | 61 | 45 Ų | 45 | 32% | 0.319 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 121.9 | 168 | -179.2 | 71.6 | 0 | 0 | 0 | 109.3 | D588 C632 Y634 | D588-L641 HydrophobicContact CB-CD2 4.37Å; C632-L641 HydrophobicContact CB-CD1 3.55Å; Y634-L641 HydrophobicContact CD1-CB 3.91Å; Y634-L641 HydrophobicContact CD1-CD1 3.88Å; Y634-L641 HydrophobicContact CE1-CB 3.83Å; Y634-L641 HydrophobicContact CE1-CD1 3.53Å; Y634-L641 HydrophobicContact CE1-CG 4.26Å; Y634-L641 HydrophobicContact CG-CD1 4.5Å |
| 642 | L | 90.2 | Very high | 90.7 | Very high | 58 Ų | 58 | 45.9 Ų | 45.9 | 30% | 0.304 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -48.6 | 177.9 | -69.5 | 166.2 | 0 | 0 | 0 | 111.4 | F3 I633 N635 M640 | F3-L642 HydrophobicContact CD1-CD1 3.79Å; F3-L642 HydrophobicContact CD2-CB 4.5Å; F3-L642 HydrophobicContact CD2-CD1 4.01Å; F3-L642 HydrophobicContact CD2-CD2 4.11Å; F3-L642 HydrophobicContact CD2-CG 4.45Å; F3-L642 HydrophobicContact CE1-CD1 3.34Å; F3-L642 HydrophobicContact CE2-CD1 3.57Å; F3-L642 HydrophobicContact CE2-CD2 3.82Å; F3-L642 HydrophobicContact CE2-CG 4.25Å; F3-L642 HydrophobicContact CG-CB 4.44Å; F3-L642 HydrophobicContact CG-CD1 4.11Å; F3-L642 HydrophobicContact CZ-CD1 3.22Å; F3-L642 HydrophobicContact CZ-CD2 4.32Å; F3-L642 HydrophobicContact CZ-CG 4.35Å; I633-L642 HydrophobicContact CG2-CB 4.37Å; I633-L642 HydrophobicContact CG2-CD1 3.93Å; I633-L642 WeakPolarHBondContact O-CB 3.38Å; I633-L642 PolarHBondContact O-N 2.81Å; N635-L642 HydrophobicContact CB-CD1 3.8Å; N635-L642 HydrophobicContact CB-CD2 4.17Å; N635-L642 HydrophobicContact CB-CG 3.95Å; M640-L642 PolarHBondContact O-N 2.82Å |
| 643 | K | 89.9 | Confident | 90.4 | Very high | 62 Ų | 62 | 46.1 Ų | 46.1 | 27% | 0.27 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 146.3 | -177.1 | -169.6 | 168 | 175.7 | -172.1 | 0 | 111.4 | Y5 I633 F645 | Y5-K643 PolarHBondContact O-NZ 3.05Å; I633-K643 PolarHBondContact N-O 3.16Å; I633-K643 PolarHBondContact O-N 2.83Å; K643-F645 HydrophobicContact CB-CE2 4.06Å; K643-F645 HydrophobicContact CB-CZ 4.19Å; K643-F645 HydrophobicContact CD-CE1 3.81Å; K643-F645 HydrophobicContact CD-CE2 4.24Å; K643-F645 HydrophobicContact CD-CZ 3.59Å; K643-F645 HydrophobicContact CG-CE1 4.29Å; K643-F645 HydrophobicContact CG-CE2 4.02Å; K643-F645 HydrophobicContact CG-CZ 3.88Å |
| 644 | K | 92.1 | Very high | 90 | Very high | 48 Ų | 48 | 46.3 Ų | 46.3 | 21% | 0.209 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 131.4 | 173 | -175 | 171.5 | 167.7 | 175 | 0 | 109.6 | D588 E590 F630 V631 | D588-K644 WeakPolarHBondContact O-CE 3.39Å; D588-K644 PolarHBondContact O-NZ 3.5Å; E590-K644 VanDerWaalsContact CB-NZ 3.32Å; E590-K644 IonicContact OE1-NZ 2.69Å; E590-K644 PolarHBondContact OE1-NZ 3.46Å; E590-K644 IonicContact OE2-NZ 2.83Å; E590-K644 PolarHBondContact OE2-NZ 3.47Å; F630-K644 HydrophobicContact CB-CD 4.36Å; F630-K644 HydrophobicContact CB-CG 4.02Å; F630-K644 HydrophobicContact CD1-CD 4.01Å; F630-K644 HydrophobicContact CD1-CG 3.71Å; F630-K644 HydrophobicContact CE1-CD 4.35Å; F630-K644 HydrophobicContact CE1-CG 4.34Å; F630-K644 VanDerWaalsContact CE2-CE 3.44Å; F630-K644 HydrophobicContact CG-CD 4.12Å; F630-K644 HydrophobicContact CG-CG 4.04Å; V631-K644 CarbonylContact O-C 3.57Å; V631-K644 WeakPolarHBondContact O-CA 3.39Å |
| 645 | F | 92.2 | Very high | 89.6 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 119 | 179.9 | -61.4 | -88.9 | 0 | 0 | 0 | 109 | Y5 F630 V631 I633 K643 I647 W719 Y730 | Y5-F645 HydrophobicContact CD2-CZ 4.19Å; F630-F645 VanDerWaalsContact CA-O 3.31Å; F630-F645 WeakPolarHBondContact CA-O 3Å; V631-F645 HydrophobicContact CB-CB 4.35Å; V631-F645 PolarHBondContact N-O 3.17Å; V631-F645 PolarHBondContact O-N 3.41Å; I633-F645 HydrophobicContact CB-CE2 4.44Å; I633-F645 HydrophobicContact CD1-CD2 4.39Å; I633-F645 HydrophobicContact CD1-CE2 3.34Å; I633-F645 HydrophobicContact CD1-CZ 3.79Å; I633-F645 HydrophobicContact CG1-CD2 4.41Å; I633-F645 HydrophobicContact CG1-CE2 3.68Å; K643-F645 HydrophobicContact CB-CE2 4.06Å; K643-F645 HydrophobicContact CB-CZ 4.19Å; K643-F645 HydrophobicContact CD-CE1 3.81Å; K643-F645 HydrophobicContact CD-CE2 4.24Å; K643-F645 HydrophobicContact CD-CZ 3.59Å; K643-F645 HydrophobicContact CG-CE1 4.29Å; K643-F645 HydrophobicContact CG-CE2 4.02Å; K643-F645 HydrophobicContact CG-CZ 3.88Å; F645-I647 PolarHBondContact O-N 3.14Å; F645-W719 HydrophobicContact CB-CH2 4.31Å; F645-W719 HydrophobicContact CB-CZ2 4.39Å; F645-W719 AromaticContact CD1-CZ2 3.95Å; F645-W719 HydrophobicContact CD1-CZ2 3.95Å; F645-W719 HydrophobicContact CD2-CH2 4.41Å; F645-W719 AromaticContact CD2-CZ2 3.89Å; F645-W719 HydrophobicContact CD2-CZ2 3.89Å; F645-W719 HydrophobicContact CE1-CZ2 4.18Å; F645-W719 HydrophobicContact CE2-CZ2 4.16Å; F645-W719 HydrophobicContact CG-CH2 4.19Å; F645-W719 AromaticContact CG-CZ2 3.79Å; F645-W719 HydrophobicContact CG-CZ2 3.79Å; F645-W719 HydrophobicContact CZ-CZ2 4.28Å; F645-Y730 HydrophobicContact CD1-CD1 4.24Å; F645-Y730 HydrophobicContact CD1-CE1 4.18Å |
| 646 | E | 90.9 | Very high | 89.4 | Confident | 93 Ų | 93 | 46 Ų | 46 | 44% | 0.435 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 118.9 | 165.2 | -167.3 | 165.7 | -153.6 | 0 | 0 | 108.6 | K629 F630 S648 Y730 | K629-E646 HydrophobicContact CD-CG 4.49Å; K629-E646 WeakPolarHBondContact CE-OE1 3.4Å; K629-E646 IonicContact NZ-OE1 2.72Å; K629-E646 PolarHBondContact NZ-OE1 3.37Å; F630-E646 HydrophobicContact CD1-CB 4.07Å; F630-E646 HydrophobicContact CD1-CG 4.39Å; F630-E646 HydrophobicContact CE1-CB 3.76Å; F630-E646 HydrophobicContact CE1-CG 3.92Å; E646-S648 WeakPolarHBondContact CG-O 3.5Å; E646-Y730 PolarHBondContact O-OH 3.01Å |
| 647 | I | 89.3 | Confident | 89.2 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | trans | -76.7 | -49.9 | -175.1 | -65.5 | 175.3 | 0 | 0 | 0 | 110.3 | K629 V631 F645 I705 V707 T723 L728 | K629-I647 VanDerWaalsContact O-CB 3.23Å; K629-I647 WeakPolarHBondContact O-CB 3.32Å; K629-I647 WeakPolarHBondContact O-CD1 3.45Å; K629-I647 WeakPolarHBondContact O-CG1 3.23Å; K629-I647 PolarHBondContact O-N 3.5Å; V631-I647 HydrophobicContact CG2-CD1 3.49Å; V631-I647 VanDerWaalsContact CG2-CD1 3.49Å; V631-I647 HydrophobicContact CG2-CG1 3.88Å; F645-I647 PolarHBondContact O-N 3.14Å; I647-I705 HydrophobicContact CG2-CD1 4.41Å; I647-V707 HydrophobicContact CD1-CG2 3.04Å; I647-T723 HydrophobicContact CD1-CG2 4.26Å; I647-T723 HydrophobicContact CG2-CG2 3.65Å; I647-L728 HydrophobicContact CB-CD1 4.31Å; I647-L728 HydrophobicContact CG2-CD1 3.11Å | ||
| 648 | S | 88.4 | Confident | 89.2 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | trans | -135.8 | 146.6 | -176.6 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | E646 N650 M656 E725 | E646-S648 WeakPolarHBondContact CG-O 3.5Å; S648-N650 WeakPolarHBondContact OG-CB 3.27Å; S648-N650 PolarHBondContact OG-N 2.49Å; S648-M656 WeakPolarHBondContact O-CE 3.46Å; S648-E725 VanDerWaalsContact CB-OE1 3.27Å; S648-E725 WeakPolarHBondContact CB-OE1 3.41Å; S648-E725 VanDerWaalsContact OG-CD 3.31Å; S648-E725 PolarHBondContact OG-OE1 3.13Å | ||
| 649 | C | 88.1 | Confident | 89.2 | Confident | 42 Ų | 42 | 46.3 Ų | 46.3 | 28% | 0.284 | 23% | 0.226 | S | C | . | . | trans | -116.3 | 12.9 | 170.6 | 41.9 | 0 | 0 | 0 | 0 | 111.3 | S53 L651 | S53-C649 WeakPolarHBondContact CB-SG 3.18Å; S53-C649 PolarHBondContact OG-SG 2.86Å; C649-L651 PolarHBondContact O-N 3.31Å | ||
| 650 | N | 90.8 | Very high | 89 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -81.7 | 109.2 | -175.3 | -175.4 | -5.2 | 0 | 0 | 0 | 111.7 | N35 T55 K56 N57 S648 S652 F653 M656 E725 | N35-N650 HydrophobicContact CB-CB 4.04Å; T55-N650 CarbonylContact O-C 3.57Å; T55-N650 WeakPolarHBondContact O-CA 3.06Å; K56-N650 WeakPolarHBondContact CA-OD1 3.34Å; N57-N650 PolarHBondContact OD1-ND2 2.79Å; S648-N650 WeakPolarHBondContact OG-CB 3.27Å; S648-N650 PolarHBondContact OG-N 2.49Å; N650-S652 PolarHBondContact O-N 3.15Å; N650-S652 WeakPolarHBondContact OD1-CB 3.47Å; N650-S652 PolarHBondContact OD1-N 2.82Å; N650-S652 PolarHBondContact OD1-OG 2.91Å; N650-F653 HydrophobicContact CB-CD2 3.77Å; N650-F653 HydrophobicContact CB-CE2 3.97Å; N650-F653 WeakPolarHBondContact ND2-CE2 3.34Å; N650-F653 PolarHBondContact O-N 2.87Å; N650-M656 WeakPolarHBondContact O-CG 3.47Å; N650-E725 WeakPolarHBondContact CB-OE1 3.5Å | ||
| 651 | L | 88.8 | Confident | 88.9 | Confident | 57 Ų | 57 | 43.3 Ų | 43.3 | 30% | 0.298 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -4.1 | 178.3 | -61.1 | 176.3 | 0 | 0 | 0 | 113.9 | T55 K56 C649 F653 M656 E657 | T55-L651 WeakPolarHBondContact O-CB 3.45Å; T55-L651 PolarHBondContact O-N 3.19Å; K56-L651 HydrophobicContact CG-CB 4.22Å; C649-L651 PolarHBondContact O-N 3.31Å; L651-F653 PolarHBondContact O-N 3.44Å; L651-M656 HydrophobicContact CD2-CB 3.91Å; L651-E657 HydrophobicContact CD2-CG 3.7Å |
| 652 | S | 87.1 | Confident | 88.7 | Confident | 17 Ų | 17 | 51 Ų | 51 | 12% | 0.119 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -15.7 | 168.7 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | K56 N57 E75 N650 | K56-S652 WeakPolarHBondContact CB-OG 3.35Å; N57-S652 PolarHBondContact N-OG 3.43Å; N57-S652 VanDerWaalsContact N-OG 3.16Å; N57-S652 WeakPolarHBondContact ND2-CB 3.38Å; N57-S652 PolarHBondContact ND2-OG 2.91Å; E75-S652 PolarHBondContact OE2-OG 3.07Å; N650-S652 PolarHBondContact O-N 3.15Å; N650-S652 WeakPolarHBondContact OD1-CB 3.47Å; N650-S652 PolarHBondContact OD1-N 2.82Å; N650-S652 PolarHBondContact OD1-OG 2.91Å |
| 653 | F | 87.7 | Confident | 88.7 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 2% | 0.022 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -84.6 | 152.6 | 167.9 | -65.9 | -77.6 | 0 | 0 | 0 | 112 | N650 L651 M656 P703 E725 | N650-F653 HydrophobicContact CB-CD2 3.77Å; N650-F653 HydrophobicContact CB-CE2 3.97Å; N650-F653 WeakPolarHBondContact ND2-CE2 3.34Å; N650-F653 PolarHBondContact O-N 2.87Å; L651-F653 PolarHBondContact O-N 3.44Å; F653-M656 HydrophobicContact CB-CG 3.99Å; F653-M656 HydrophobicContact CB-SD 4.16Å; F653-M656 WeakPolarHBondContact O-CG 3.48Å; F653-P703 WeakPolarHBondContact CA-O 3.43Å; F653-P703 WeakPolarHBondContact CB-O 3.35Å; F653-P703 HydrophobicContact CD1-CB 4.1Å; F653-P703 HydrophobicContact CD1-CG 3.71Å; F653-P703 WeakPolarHBondContact CD1-O 3.21Å; F653-P703 HydrophobicContact CE1-CB 4.29Å; F653-P703 HydrophobicContact CE1-CG 3.78Å; F653-E725 HydrophobicContact CD2-CG 4.42Å; F653-E725 HydrophobicContact CE2-CG 3.32Å; F653-E725 VanDerWaalsContact CE2-OE1 3.24Å; F653-E725 WeakPolarHBondContact CE2-OE1 3.17Å; F653-E725 HydrophobicContact CZ-CB 4.5Å; F653-E725 HydrophobicContact CZ-CG 3.4Å |
| 654 | D | 86.4 | Confident | 88.5 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -76.2 | 157.4 | 173.3 | -161.2 | 11.7 | 0 | 0 | 0 | 111.3 | K594 E595 M656 F701 K702 P703 | K594-D654 VanDerWaalsContact CA-OD1 3.32Å; K594-D654 WeakPolarHBondContact CA-OD1 2.8Å; K594-D654 VanDerWaalsContact CB-OD2 3.32Å; K594-D654 WeakPolarHBondContact CB-OD2 3.43Å; K594-D654 WeakPolarHBondContact CG-OD2 3.13Å; E595-D654 PolarHBondContact N-OD1 2.53Å; D654-M656 PolarHBondContact O-N 3.34Å; D654-F701 WeakPolarHBondContact OD2-CE2 3.4Å; D654-F701 WeakPolarHBondContact OD2-CZ 3.39Å; D654-K702 HydrophobicContact CB-CB 3.88Å; D654-K702 WeakPolarHBondContact CB-O 3.2Å; D654-P703 PolarHBondContact N-O 3.16Å |
| 655 | A | 85.9 | Confident | 88.3 | Confident | 9 Ų | 9 | 64.5 Ų | 64.5 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 36.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | G592 K594 | G592-A655 WeakPolarHBondContact CA-O 3.35Å; G592-A655 PolarHBondContact N-O 3.45Å; K594-A655 HydrophobicContact CG-CB 3.81Å |
| 656 | M | 87.2 | Confident | 88.1 | Confident | 8 Ų | 8 | 66.8 Ų | 66.8 | 4% | 0.039 | 31% | 0.308 | C | S | . | . | trans | -86.9 | -32.8 | 176.2 | -64.3 | -61.1 | -74.5 | 0 | 0 | 113.7 | K629 S648 N650 L651 F653 D654 I705 | K629-M656 HydrophobicContact CD-CE 4.3Å; K629-M656 PolarHBondContact NZ-O 2.87Å; K629-M656 VanDerWaalsContact NZ-O 3.12Å; S648-M656 WeakPolarHBondContact O-CE 3.46Å; N650-M656 WeakPolarHBondContact O-CG 3.47Å; L651-M656 HydrophobicContact CD2-CB 3.91Å; F653-M656 HydrophobicContact CB-CG 3.99Å; F653-M656 HydrophobicContact CB-SD 4.16Å; F653-M656 WeakPolarHBondContact O-CG 3.48Å; D654-M656 PolarHBondContact O-N 3.34Å; M656-I705 HydrophobicContact SD-CB 4Å; M656-I705 HydrophobicContact SD-CG2 3.41Å; M656-I705 WeakPolarHBondContact SD-CG2 3.41Å | ||
| 657 | E | 87.5 | Confident | 88.1 | Confident | 61 Ų | 61 | 71.5 Ų | 71.5 | 29% | 0.285 | 33% | 0.33 | S | S | . | . | trans | -103.1 | 140 | -178.6 | -64.9 | 179.6 | 161.5 | 0 | 0 | 110.8 | G592 R593 L651 | G592-E657 CarbonylContact C-O 3.6Å; G592-E657 WeakPolarHBondContact CA-O 3.41Å; R593-E657 PolarHBondContact N-O 3.19Å; L651-E657 HydrophobicContact CD2-CG 3.7Å | ||
| 658 | E | 87.9 | Confident | 87.8 | Confident | 78 Ų | 78 | 80.8 Ų | 80.8 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -71 | -37.9 | 171.3 | -167.5 | -174.4 | 168.5 | 0 | 0 | 110.9 | A601 K602 | A601-E658 HydrophobicContact CB-CB 4.34Å; A601-E658 HydrophobicContact CB-CG 3.43Å; A601-E658 VanDerWaalsContact CB-CG 3.43Å; K602-E658 WeakPolarHBondContact CE-OE1 3.32Å |
| 659 | F | 89.8 | Confident | 87.8 | Confident | 154 Ų | 154 | 81.7 Ų | 81.7 | 68% | 0.675 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -117.9 | 111.4 | -177.4 | -59.4 | -76.6 | 0 | 0 | 0 | 109.6 | ||
| 660 | L | 87.3 | Confident | 87.6 | Confident | 62 Ų | 62 | 80.5 Ų | 80.5 | 33% | 0.325 | 37% | 0.372 | S | S | . | . | trans | -74.9 | 145.5 | 174.1 | -63.5 | 171 | 0 | 0 | 0 | 110.8 | R593 E595 R662 | R593-L660 HydrophobicContact CG-CD1 4.12Å; E595-L660 HydrophobicContact CG-CD2 4.46Å; L660-R662 PolarHBondContact O-N 3.22Å | ||
| 661 | D | 87.7 | Confident | 87.4 | Confident | 79 Ų | 79 | 84.8 Ų | 84.8 | 42% | 0.422 | 40% | 0.395 | S | S | . | . | trans | -60.3 | 121.4 | 176.1 | -75.4 | -41.3 | 0 | 0 | 0 | 112.3 | R663 K664 | D661-R663 PolarHBondContact O-N 3.44Å; D661-R663 VanDerWaalsContact O-N 3.1Å; D661-K664 HydrophobicContact CB-CD 4.07Å; D661-K664 HydrophobicContact CB-CG 4.11Å; D661-K664 PolarHBondContact O-N 3.44Å; D661-K664 VanDerWaalsContact O-N 3.1Å; D661-K664 WeakPolarHBondContact OD2-CE 3.21Å; D661-K664 IonicContact OD2-NZ 2.74Å; D661-K664 PolarHBondContact OD2-NZ 3.07Å | ||
| 662 | R | 87.8 | Confident | 86.9 | Confident | 223 Ų | 223 | 83.8 Ų | 83.8 | 84% | 0.842 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -58.5 | -25.9 | 173.3 | 69.3 | 176.6 | -179.5 | 177 | -0.1 | 113.6 | L660 K664 M665 | L660-R662 PolarHBondContact O-N 3.22Å; R662-K664 PolarHBondContact O-N 2.85Å; R662-M665 PolarHBondContact O-N 3.2Å |
| 663 | R | 89.1 | Confident | 86.6 | Confident | 233 Ų | 233 | 86.8 Ų | 86.8 | 88% | 0.879 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -67.4 | -26.9 | -179.7 | -66.3 | -178.6 | -179.7 | 170.4 | 0.9 | 112.4 | D661 M665 | D661-R663 PolarHBondContact O-N 3.44Å; D661-R663 VanDerWaalsContact O-N 3.1Å; R663-M665 VanDerWaalsContact C-N 3.3Å |
| 664 | K | 86.1 | Confident | 86.3 | Confident | 90 Ų | 90 | 90.3 Ų | 90.3 | 39% | 0.391 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -85.4 | -4 | 178.2 | -63 | 174.8 | -178.4 | 141.8 | 0 | 112.3 | D661 R662 L671 | D661-K664 HydrophobicContact CB-CD 4.07Å; D661-K664 HydrophobicContact CB-CG 4.11Å; D661-K664 PolarHBondContact O-N 3.44Å; D661-K664 VanDerWaalsContact O-N 3.1Å; D661-K664 WeakPolarHBondContact OD2-CE 3.21Å; D661-K664 IonicContact OD2-NZ 2.74Å; D661-K664 PolarHBondContact OD2-NZ 3.07Å; R662-K664 PolarHBondContact O-N 2.85Å; K664-L671 WeakPolarHBondContact O-CB 3.24Å; K664-L671 PolarHBondContact O-N 2.8Å |
| 665 | M | 88.1 | Confident | 85.7 | Confident | 127 Ų | 127 | 95.4 Ų | 95.4 | 63% | 0.626 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 115.5 | 178.2 | -168.1 | 71.2 | -172.7 | 0 | 0 | 110 | R662 R663 | R662-M665 PolarHBondContact O-N 3.2Å; R663-M665 VanDerWaalsContact C-N 3.3Å |
| 666 | T | 89.4 | Confident | 84.8 | Confident | 56 Ų | 56 | 102.3 Ų | 102.3 | 34% | 0.344 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 174.4 | 176.5 | 72.9 | 0 | 0 | 0 | 0 | 110.7 | F668 G669 | T666-F668 PolarHBondContact O-N 3.16Å; T666-F668 PolarHBondContact OG1-N 2.54Å; T666-G669 PolarHBondContact N-O 2.8Å; T666-G669 PolarHBondContact O-N 3.26Å; T666-G669 VanDerWaalsContact O-N 3.1Å; T666-G669 PolarHBondContact OG1-O 2.88Å |
| 667 | E | 89.4 | Confident | 83.3 | Confident | 193 Ų | 193 | 104.5 Ų | 104.5 | 90% | 0.902 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -28.8 | 174.2 | -62.1 | -179.6 | 178.3 | 0 | 0 | 112.7 | ||
| 668 | F | 84.5 | Confident | 81.7 | Confident | 196 Ų | 196 | 104 Ų | 104 | 86% | 0.86 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -0.1 | 178.5 | -60.8 | -77 | 0 | 0 | 0 | 113.5 | T666 | T666-F668 PolarHBondContact O-N 3.16Å; T666-F668 PolarHBondContact OG1-N 2.54Å |
| 669 | G | 87 | Confident | 79.9 | Confident | 20 Ų | 20 | 103.2 Ų | 103.2 | 21% | 0.206 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 115.2 | -162.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T666 L671 | T666-G669 PolarHBondContact N-O 2.8Å; T666-G669 PolarHBondContact O-N 3.26Å; T666-G669 VanDerWaalsContact O-N 3.1Å; T666-G669 PolarHBondContact OG1-O 2.88Å; G669-L671 PolarHBondContact O-N 2.81Å |
| 670 | S | 85.2 | Confident | 77.6 | Confident | 17 Ų | 17 | 104.7 Ų | 104.7 | 12% | 0.119 | 55% | 0.548 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 132.1 | 177.8 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | A672 L673 | S670-A672 PolarHBondContact O-N 3.27Å; S670-A672 PolarHBondContact OG-N 2.93Å; S670-L673 PolarHBondContact O-N 3.42Å; S670-L673 VanDerWaalsContact O-N 3.07Å |
| 671 | L | 85.2 | Confident | 75.9 | Confident | 90 Ų | 90 | 104.7 Ų | 104.7 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -58 | -34.3 | 176.6 | -172.4 | 146.4 | 0 | 0 | 0 | 111.6 | K664 G669 L673 V674 | K664-L671 WeakPolarHBondContact O-CB 3.24Å; K664-L671 PolarHBondContact O-N 2.8Å; G669-L671 PolarHBondContact O-N 2.81Å; L671-L673 PolarHBondContact O-N 3.05Å; L671-V674 WeakPolarHBondContact O-CB 3.39Å; L671-V674 PolarHBondContact O-N 3.23Å; L671-V674 VanDerWaalsContact O-N 3.13Å |
| 672 | A | 77.9 | Confident | 74.3 | Confident | 36 Ų | 36 | 106.6 Ų | 106.6 | 30% | 0.298 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -72.1 | -12.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E595 S670 | E595-A672 VanDerWaalsContact CD-CB 3.47Å; E595-A672 WeakPolarHBondContact OE1-CB 3.17Å; E595-A672 WeakPolarHBondContact OE2-CB 3.41Å; S670-A672 PolarHBondContact O-N 3.27Å; S670-A672 PolarHBondContact OG-N 2.93Å |
| 673 | L | 80.8 | Confident | 72.6 | Confident | 80 Ų | 80 | 102.2 Ų | 102.2 | 42% | 0.419 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -94.8 | -5.4 | 172.9 | -63.7 | 177 | 0 | 0 | 0 | 112.6 | E595 T596 S670 L671 D675 | E595-L673 HydrophobicContact CB-CD2 4.36Å; E595-L673 HydrophobicContact CB-CG 4.39Å; T596-L673 HydrophobicContact CG2-CD1 4Å; T596-L673 HydrophobicContact CG2-CD2 3.76Å; S670-L673 PolarHBondContact O-N 3.42Å; S670-L673 VanDerWaalsContact O-N 3.07Å; L671-L673 PolarHBondContact O-N 3.05Å; L673-D675 PolarHBondContact O-N 2.79Å |
| 674 | V | 82.1 | Confident | 71 | Confident | 79 Ų | 79 | 96.5 Ų | 96.5 | 48% | 0.479 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -72.2 | 120.6 | 173.3 | -179.6 | 0 | 0 | 0 | 0 | 107 | L671 E676 | L671-V674 WeakPolarHBondContact O-CB 3.39Å; L671-V674 PolarHBondContact O-N 3.23Å; L671-V674 VanDerWaalsContact O-N 3.13Å; V674-E676 PolarHBondContact O-N 3.24Å |
| 675 | D | 73.7 | Confident | 69.6 | Low | 113 Ų | 113 | 96 Ų | 96 | 60% | 0.604 | 56% | 0.559 | S | S | * | * | trans | -73.7 | 94.8 | 173.4 | -158.8 | -5.7 | 0 | 0 | 0 | 107.5 | L673 G677 H700 | L673-D675 PolarHBondContact O-N 2.79Å; D675-G677 PolarHBondContact O-N 3.48Å; D675-H700 IonicContact OD1-CD2 3.72Å; D675-H700 PolarHBondContact OD1-CD2 3.29Å | ||
| 676 | E | 66.4 | Low | 68.4 | Low | 154 Ų | 154 | 97.7 Ų | 97.7 | 72% | 0.72 | 57% | 0.569 | S | S | * | * | trans | -69.1 | 81.7 | 163.9 | -66.8 | -177.6 | -177.8 | 0 | 0 | 105.8 | V674 A678 | V674-E676 PolarHBondContact O-N 3.24Å; E676-A678 PolarHBondContact O-N 3.32Å | ||
| 677 | G | 57 | Low | 67.2 | Low | 54 Ų | 54 | 96.4 Ų | 96.4 | 56% | 0.557 | 56% | 0.562 | S | S | * | * | trans | -44.8 | 141.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | D675 G679 | D675-G677 PolarHBondContact O-N 3.48Å; G677-G679 PolarHBondContact O-N 2.77Å; G677-G679 VanDerWaalsContact O-N 3.09Å | ||
| 678 | A | 52.5 | Low | 66.6 | Low | 49 Ų | 49 | 92.9 Ų | 92.9 | 41% | 0.405 | 55% | 0.549 | S | S | . | . | trans | -46.4 | 121.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | E676 E682 | E676-A678 PolarHBondContact O-N 3.32Å; A678-E682 HydrophobicContact CB-CB 3.96Å | ||
| 679 | G | 51.9 | Low | 66.1 | Low | 63 Ų | 63 | 88.3 Ų | 88.3 | 65% | 0.649 | 54% | 0.539 | S | S | * | . | trans | -51.3 | 148.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | G677 G681 | G677-G679 PolarHBondContact O-N 2.77Å; G677-G679 VanDerWaalsContact O-N 3.09Å; G679-G681 PolarHBondContact O-N 3.11Å | ||
| 680 | D | 40.8 | Very low | 65.5 | Low | 185 Ų | 185 | 90.9 Ų | 90.9 | 99% | 0.989 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -42.4 | 101.3 | -173.3 | -80.9 | -28.4 | 0 | 0 | 0 | 112.2 | ||
| 681 | G | 52.3 | Low | 64.9 | Low | 61 Ų | 61 | 92.9 Ų | 92.9 | 63% | 0.629 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.5 | -21.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | G679 | G679-G681 PolarHBondContact O-N 3.11Š|
| 682 | E | 52.8 | Low | 64.1 | Low | 119 Ų | 119 | 100.1 Ų | 100.1 | 56% | 0.556 | 60% | 0.598 | S | S | * | * | trans | -96.6 | 127.8 | 174.6 | -68 | -169.6 | 155.2 | 0 | 0 | 111.5 | R334 A678 V684 | R334-E682 IonicContact CZ-OE1 2.82Å; R334-E682 IonicContact NH1-OE1 3.95Å; R334-E682 PolarHBondContact NH1-OE1 2.86Å; A678-E682 HydrophobicContact CB-CB 3.96Å; E682-V684 PolarHBondContact O-N 3.48Å | ||
| 683 | V | 53 | Low | 63.5 | Low | 132 Ų | 132 | 106.5 Ų | 106.5 | 80% | 0.8 | 61% | 0.614 | S | S | * | * | trans | -62.9 | 120.9 | 171.6 | 177.9 | 0 | 0 | 0 | 0 | 108 | D685 | V683-D685 PolarHBondContact O-N 3.44Å; V683-D685 VanDerWaalsContact O-N 3.1Å | ||
| 684 | V | 55.5 | Low | 62.3 | Low | 112 Ų | 112 | 105.1 Ų | 105.1 | 68% | 0.679 | 62% | 0.619 | S | S | * | * | trans | -68.3 | 107 | 176.8 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | E682 I686 | E682-V684 PolarHBondContact O-N 3.48Å; V684-I686 PolarHBondContact O-N 3.4Å | ||
| 685 | D | 56.2 | Low | 61.1 | Low | 79 Ų | 79 | 104.1 Ų | 104.1 | 42% | 0.422 | 61% | 0.611 | S | S | . | * | trans | -62.1 | 116.2 | 171.2 | -79.7 | -12.8 | 0 | 0 | 0 | 108.7 | R353 V683 S687 | R353-D685 IonicContact CZ-OD2 3.6Å; R353-D685 IonicContact NH1-OD2 3.18Å; R353-D685 PolarHBondContact NH1-OD2 3.19Å; R353-D685 IonicContact NH2-OD2 3.66Å; R353-D685 PolarHBondContact NH2-OD2 3.23Å; V683-D685 PolarHBondContact O-N 3.44Å; V683-D685 VanDerWaalsContact O-N 3.1Å; D685-S687 PolarHBondContact O-N 2.87Å | ||
| 686 | I | 63.1 | Low | 59.9 | Low | 164 Ų | 164 | 103.1 Ų | 103.1 | 84% | 0.841 | 60% | 0.604 | S | S | * | * | trans | -73.8 | 108.4 | -177.9 | -58.6 | 170.7 | 0 | 0 | 0 | 109.1 | V684 | V684-I686 PolarHBondContact O-N 3.4Š| ||
| 687 | S | 64.5 | Low | 59 | Low | 29 Ų | 29 | 97.2 Ų | 97.2 | 20% | 0.203 | 58% | 0.58 | C | S | . | * | P | Polyproline II helix | trans | -89.1 | 141 | -179.5 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | D685 S697 R699 | D685-S687 PolarHBondContact O-N 2.87Å; S687-S697 WeakPolarHBondContact CB-O 3.32Å; S687-R699 WeakPolarHBondContact OG-CG 3.33Å |
| 688 | L | 75.6 | Confident | 58.5 | Low | 118 Ų | 118 | 97.4 Ų | 97.4 | 62% | 0.618 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 131.8 | 175 | -68 | 171.2 | 0 | 0 | 0 | 111.5 | G690 V691 | L688-G690 PolarHBondContact O-N 2.82Å; L688-V691 HydrophobicContact CB-CG2 3.7Å |
| 689 | P | 75.1 | Confident | 58.4 | Low | 101 Ų | 101 | 102.6 Ų | 102.6 | 66% | 0.656 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 132.5 | 178.2 | -17.5 | 29 | 0 | 0 | 0 | 112.5 | ||
| 690 | G | 73.6 | Confident | 58.3 | Low | 74 Ų | 74 | 107 Ų | 107 | 76% | 0.763 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.9 | 1.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | L688 R692 | L688-G690 PolarHBondContact O-N 2.82Å; G690-R692 PolarHBondContact O-N 2.98Å |
| 691 | V | 72.2 | Confident | 59.2 | Low | 58 Ų | 58 | 102.8 Ų | 102.8 | 35% | 0.352 | 56% | 0.558 | S | S | . | * | trans | -68.6 | 124.3 | 175.4 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | L688 R693 D695 | L688-V691 HydrophobicContact CB-CG2 3.7Å; V691-R693 VanDerWaalsContact CG1-O 3.22Å; V691-R693 WeakPolarHBondContact CG1-O 3.31Å; V691-D695 HydrophobicContact CG1-CB 4.04Å | ||
| 692 | R | 69.7 | Low | 60.3 | Low | 243 Ų | 243 | 103.2 Ų | 103.2 | 92% | 0.917 | 54% | 0.542 | S | S | * | . | trans | -106.3 | -16.3 | 178.2 | -65.6 | -173.8 | 178.5 | -171.8 | -0.3 | 114.2 | G690 | G690-R692 PolarHBondContact O-N 2.98Š| ||
| 693 | R | 64.6 | Low | 61.6 | Low | 170 Ų | 170 | 99.8 Ų | 99.8 | 64% | 0.642 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -147.2 | 149.9 | -178 | -69.7 | -171.6 | -179.5 | -177.5 | -1.8 | 110.3 | V691 D695 | V691-R693 VanDerWaalsContact CG1-O 3.22Å; V691-R693 WeakPolarHBondContact CG1-O 3.31Å; R693-D695 PolarHBondContact O-N 2.93Å |
| 694 | G | 57 | Low | 63.1 | Low | 50 Ų | 50 | 95.5 Ų | 95.5 | 52% | 0.515 | 50% | 0.502 | S | S | . | . | S | Bend | trans | 95.6 | -33.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 695 | D | 55.5 | Low | 64.7 | Low | 59 Ų | 59 | 90.5 Ų | 90.5 | 32% | 0.316 | 47% | 0.471 | S | S | . | . | trans | -108.9 | 103 | -179.8 | -160.9 | -9.7 | 0 | 0 | 0 | 111.3 | V691 R693 S697 S698 | V691-D695 HydrophobicContact CG1-CB 4.04Å; R693-D695 PolarHBondContact O-N 2.93Å; D695-S697 PolarHBondContact O-N 2.72Å; D695-S697 VanDerWaalsContact OD1-CB 3.31Å; D695-S697 WeakPolarHBondContact OD1-CB 3.47Å; D695-S697 PolarHBondContact OD1-N 3.08Å; D695-S697 PolarHBondContact OD1-OG 3.43Å; D695-S697 PolarHBondContact OD2-OG 2.83Å; D695-S698 VanDerWaalsContact O-CB 3.25Å; D695-S698 WeakPolarHBondContact O-CB 3.25Å; D695-S698 PolarHBondContact O-N 2.87Å; D695-S698 PolarHBondContact O-OG 2.81Å | ||
| 696 | M | 49.3 | Very low | 66.2 | Low | 92 Ų | 92 | 88.2 Ų | 88.2 | 45% | 0.453 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -1.7 | 174.7 | -107 | -171.2 | -176.2 | 0 | 0 | 112.9 | F375 S698 | F375-M696 HydrophobicContact CD2-SD 4.38Å; F375-M696 HydrophobicContact CE1-CB 3.93Å; F375-M696 HydrophobicContact CE1-SD 4.13Å; F375-M696 HydrophobicContact CE2-SD 3.96Å; F375-M696 HydrophobicContact CZ-CB 3.75Å; F375-M696 HydrophobicContact CZ-CG 4.43Å; F375-M696 HydrophobicContact CZ-SD 3.84Å; F375-M696 WeakPolarHBondContact O-CE 3.44Å; F375-M696 VanDerWaalsContact O-SD 3.39Å; M696-S698 PolarHBondContact O-N 3.36Å |
| 697 | S | 46.8 | Very low | 67.7 | Low | 30 Ų | 30 | 80.4 Ų | 80.4 | 21% | 0.21 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 3.3 | 164.3 | 76.3 | 0 | 0 | 0 | 0 | 112.6 | S687 D695 | S687-S697 WeakPolarHBondContact CB-O 3.32Å; D695-S697 PolarHBondContact O-N 2.72Å; D695-S697 VanDerWaalsContact OD1-CB 3.31Å; D695-S697 WeakPolarHBondContact OD1-CB 3.47Å; D695-S697 PolarHBondContact OD1-N 3.08Å; D695-S697 PolarHBondContact OD1-OG 3.43Å; D695-S697 PolarHBondContact OD2-OG 2.83Å |
| 698 | S | 46.9 | Very low | 69 | Low | 58 Ų | 58 | 80.3 Ų | 80.3 | 41% | 0.406 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -62.8 | 139.1 | 178 | 47.4 | 0 | 0 | 0 | 0 | 111.9 | D695 M696 | D695-S698 VanDerWaalsContact O-CB 3.25Å; D695-S698 WeakPolarHBondContact O-CB 3.25Å; D695-S698 PolarHBondContact O-N 2.87Å; D695-S698 PolarHBondContact O-OG 2.81Å; M696-S698 PolarHBondContact O-N 3.36Å |
| 699 | R | 50.3 | Low | 69.8 | Low | 157 Ų | 157 | 75.1 Ų | 75.1 | 59% | 0.592 | 39% | 0.39 | S | S | * | . | trans | -19.2 | 144.5 | 167.3 | -55.7 | 178.8 | -179.6 | -164.7 | -6.3 | 113.1 | S687 F701 | S687-R699 WeakPolarHBondContact OG-CG 3.33Å; R699-F701 PolarHBondContact O-N 2.88Å | ||
| 700 | H | 49.7 | Very low | 70.8 | Confident | 157 Ų | 157 | 70.3 Ų | 70.3 | 73% | 0.727 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -46.1 | 73.7 | 170.9 | -69.2 | -76.4 | 0 | 0 | 0 | 113.7 | D675 | D675-H700 IonicContact OD1-CD2 3.72Å; D675-H700 PolarHBondContact OD1-CD2 3.29Å |
| 701 | F | 59.8 | Low | 71.8 | Confident | 95 Ų | 95 | 70.4 Ų | 70.4 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | trans | -114.8 | 113.6 | 171.2 | -178.9 | -103.3 | 0 | 0 | 0 | 105.1 | T596 D654 R699 | T596-F701 HydrophobicContact CG2-CE2 4.29Å; D654-F701 WeakPolarHBondContact OD2-CE2 3.4Å; D654-F701 WeakPolarHBondContact OD2-CZ 3.39Å; R699-F701 PolarHBondContact O-N 2.88Å | ||
| 702 | K | 74.9 | Confident | 72.8 | Confident | 70 Ų | 70 | 68.2 Ų | 68.2 | 30% | 0.304 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 127.5 | 176.3 | -69.5 | 173.9 | -173.6 | 170.7 | 0 | 108.1 | E595 D654 | E595-K702 IonicContact OE1-NZ 3.81Å; E595-K702 PolarHBondContact OE1-NZ 3Å; E595-K702 IonicContact OE2-NZ 3.98Å; D654-K702 HydrophobicContact CB-CB 3.88Å; D654-K702 WeakPolarHBondContact CB-O 3.2Å |
| 703 | P | 80.3 | Confident | 73.9 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 31% | 0.312 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 145.3 | 177.2 | 18.5 | -26.1 | 0 | 0 | 0 | 109.9 | F653 D654 | F653-P703 WeakPolarHBondContact CA-O 3.43Å; F653-P703 WeakPolarHBondContact CB-O 3.35Å; F653-P703 HydrophobicContact CD1-CB 4.1Å; F653-P703 HydrophobicContact CD1-CG 3.71Å; F653-P703 WeakPolarHBondContact CD1-O 3.21Å; F653-P703 HydrophobicContact CE1-CB 4.29Å; F653-P703 HydrophobicContact CE1-CG 3.78Å; D654-P703 PolarHBondContact N-O 3.16Å |
| 704 | E | 84.4 | Confident | 75.1 | Confident | 41 Ų | 41 | 49.9 Ų | 49.9 | 19% | 0.192 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -82 | 144.6 | 172.5 | 64.5 | -178.1 | -174.9 | 0 | 0 | 110 | K594 R706 T724 | K594-E704 VanDerWaalsContact CE-OE2 3.26Å; K594-E704 WeakPolarHBondContact CE-OE2 3.47Å; K594-E704 IonicContact NZ-OE2 3.69Å; K594-E704 PolarHBondContact NZ-OE2 2.81Å; E704-R706 IonicContact OE1-NH1 2.71Å; E704-T724 WeakPolarHBondContact O-CG2 3.49Å; E704-T724 PolarHBondContact O-OG1 2.75Å |
| 705 | I | 88.6 | Confident | 76.4 | Confident | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -74.4 | 128.9 | 167 | -168.5 | 63.1 | 0 | 0 | 0 | 109.4 | K629 I647 M656 T724 | K629-I705 HydrophobicContact CB-CG1 4.49Å; K629-I705 HydrophobicContact CB-CG2 3.64Å; I647-I705 HydrophobicContact CG2-CD1 4.41Å; M656-I705 HydrophobicContact SD-CB 4Å; M656-I705 HydrophobicContact SD-CG2 3.41Å; M656-I705 WeakPolarHBondContact SD-CG2 3.41Å; I705-T724 VanDerWaalsContact CD1-OG1 3.27Å; I705-T724 WeakPolarHBondContact CD1-OG1 3.42Å |
| 706 | R | 89.4 | Confident | 77.7 | Confident | 30 Ų | 30 | 45.3 Ų | 45.3 | 11% | 0.113 | 22% | 0.221 | C | C | . | . | trans | -148.7 | 154.8 | 172.5 | 65.9 | -178.6 | -170.1 | -156.5 | 0.8 | 110 | N377 E704 T723 T724 | N377-R706 PolarHBondContact ND2-NH2 2.95Å; E704-R706 IonicContact OE1-NH1 2.71Å; R706-T723 WeakPolarHBondContact O-CA 3.44Å; R706-T724 HydrophobicContact CG-CG2 3.9Å | ||
| 707 | V | 93.3 | Very high | 79.4 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 110.2 | 171.8 | -171.7 | 0 | 0 | 0 | 0 | 108.2 | T611 G626 V631 I647 L710 A721 T722 T723 | T611-V707 PolarHBondContact OG1-O 3.12Å; G626-V707 PolarHBondContact O-N 2.92Å; V631-V707 HydrophobicContact CG2-CG2 3.98Å; I647-V707 HydrophobicContact CD1-CG2 3.04Å; V707-L710 HydrophobicContact CG1-CD1 4.21Å; V707-L710 HydrophobicContact CG1-CD2 3.74Å; V707-L710 HydrophobicContact CG1-CG 3.66Å; V707-A721 HydrophobicContact CG1-CB 4.22Å; V707-T722 WeakPolarHBondContact CA-O 3.23Å; V707-T723 HydrophobicContact CG2-CG2 4.31Å |
| 708 | S | 91.8 | Very high | 81.5 | Confident | 27 Ų | 27 | 44 Ų | 44 | 19% | 0.189 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | -43.1 | -178.6 | -50.8 | 0 | 0 | 0 | 0 | 111.2 | M378 A379 T722 | M378-S708 WeakPolarHBondContact O-CB 3.2Å; M378-S708 PolarHBondContact O-OG 3.4Å; A379-S708 WeakPolarHBondContact O-CB 3.42Å; S708-T722 PolarHBondContact N-O 2.77Å |
| 709 | S | 93.8 | Very high | 83.7 | Confident | 9 Ų | 9 | 41.3 Ų | 41.3 | 6% | 0.063 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 153.5 | -179.9 | -173 | 0 | 0 | 0 | 0 | 112.3 | T722 | S709-T722 WeakPolarHBondContact CA-OG1 3.48Å; S709-T722 WeakPolarHBondContact CB-OG1 3.43Å; S709-T722 PolarHBondContact N-OG1 2.73Å; S709-T722 PolarHBondContact O-N 3.18Å; S709-T722 PolarHBondContact O-OG1 3.35Å |
| 710 | L | 94.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 135.1 | -178.7 | -72.9 | 169.7 | 0 | 0 | 0 | 110.1 | A612 C614 L623 V631 V707 W719 A721 | A612-L710 HydrophobicContact CB-CB 4.35Å; A612-L710 HydrophobicContact CB-CD1 4.37Å; A612-L710 HydrophobicContact CB-CG 4.33Å; C614-L710 HydrophobicContact CB-CB 4.46Å; C614-L710 WeakPolarHBondContact CB-O 2.98Å; L623-L710 HydrophobicContact CB-CD1 4.45Å; V631-L710 HydrophobicContact CG1-CD1 4.1Å; V631-L710 HydrophobicContact CG1-CD2 4.18Å; V631-L710 HydrophobicContact CG2-CD2 4.13Å; V707-L710 HydrophobicContact CG1-CD1 4.21Å; V707-L710 HydrophobicContact CG1-CD2 3.74Å; V707-L710 HydrophobicContact CG1-CG 3.66Å; L710-W719 HydrophobicContact CD2-CE3 4.39Å; L710-W719 HydrophobicContact CD2-CZ3 4.26Å; L710-A721 HydrophobicContact CD2-CB 3.46Å; L710-A721 VanDerWaalsContact CD2-CB 3.46Å |
| 711 | R | 95 | Very high | 88 | Confident | 75 Ų | 75 | 26.3 Ų | 26.3 | 28% | 0.283 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 135.4 | 172.1 | -65.3 | -66.6 | 177.3 | -116 | 11.9 | 111.4 | L381 Y383 L613 W719 A720 | L381-R711 HydrophobicContact CB-CG 4.43Å; L381-R711 HydrophobicContact CD2-CB 3.75Å; L381-R711 HydrophobicContact CD2-CG 3.97Å; L381-R711 HydrophobicContact CG-CB 4.32Å; L381-R711 HydrophobicContact CG-CG 4.15Å; L381-R711 WeakPolarHBondContact O-CG 3.04Å; Y383-R711 HydrophobicContact CD2-CB 3.78Å; Y383-R711 HydrophobicContact CE2-CB 4.23Å; L613-R711 PolarHBondContact O-NH1 2.86Å; R711-W719 WeakPolarHBondContact O-CA 3.33Å; R711-A720 PolarHBondContact N-O 2.92Å; R711-A720 VanDerWaalsContact N-O 3.07Å; R711-A720 PolarHBondContact O-N 3Å |
| 712 | F | 93.8 | Very high | 89.6 | Confident | 13 Ų | 13 | 21.8 Ų | 21.8 | 6% | 0.057 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 146.3 | 162.3 | -86.7 | -79.5 | 0 | 0 | 0 | 110.3 | Y5 Y383 C614 Y615 S616 L623 W719 | Y5-F712 HydrophobicContact CE2-CE1 4.46Å; Y383-F712 WeakPolarHBondContact CD2-O 3.26Å; C614-F712 PolarHBondContact SG-N 2.83Å; Y615-F712 VanDerWaalsContact O-CD2 3.24Å; Y615-F712 WeakPolarHBondContact O-CD2 3.38Å; S616-F712 VanDerWaalsContact CA-CD2 3.42Å; L623-F712 HydrophobicContact CB-CD2 4.48Å; L623-F712 HydrophobicContact CB-CE2 3.87Å; L623-F712 HydrophobicContact CD1-CD1 4.25Å; L623-F712 HydrophobicContact CD1-CD2 3.5Å; L623-F712 VanDerWaalsContact CD1-CD2 3.5Å; L623-F712 HydrophobicContact CD1-CE1 3.89Å; L623-F712 HydrophobicContact CD1-CE2 3.14Å; L623-F712 HydrophobicContact CD1-CG 4.07Å; L623-F712 HydrophobicContact CD1-CZ 3.34Å; L623-F712 HydrophobicContact CG-CD2 4.1Å; L623-F712 HydrophobicContact CG-CE1 4.49Å; L623-F712 HydrophobicContact CG-CE2 3.29Å; L623-F712 HydrophobicContact CG-CZ 3.52Å; F712-W719 HydrophobicContact CD1-CB 3.69Å; F712-W719 HydrophobicContact CD1-CG 4.43Å; F712-W719 HydrophobicContact CE1-CB 3.98Å; F712-W719 AromaticContact CE1-CD1 3.96Å; F712-W719 HydrophobicContact CE1-CG 4.24Å; F712-W719 HydrophobicContact CG-CB 4.15Å |
| 713 | S | 91.8 | Very high | 90.4 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.014 | 9% | 0.093 | C | C | . | . | trans | -64.9 | 137.5 | 163.6 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | T715 G716 S718 | S713-T715 PolarHBondContact O-N 3.19Å; S713-T715 VanDerWaalsContact O-N 3.16Å; S713-T715 PolarHBondContact OG-N 3.42Å; S713-T715 PolarHBondContact OG-OG1 3.5Å; S713-G716 PolarHBondContact O-N 2.8Å; S713-S718 WeakPolarHBondContact CB-O 3.49Å; S713-S718 VanDerWaalsContact CB-OG 3.29Å; S713-S718 WeakPolarHBondContact CB-OG 3.46Å; S713-S718 PolarHBondContact N-O 2.9Å | ||
| 714 | P | 89 | Confident | 90.8 | Very high | 25 Ų | 25 | 17 Ų | 17 | 16% | 0.162 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -32.1 | 173.5 | -26.7 | 35.6 | 0 | 0 | 0 | 112.5 | S384 P385 A617 G716 P845 Q848 | S384-P714 WeakPolarHBondContact O-CG 3.05Å; P385-P714 WeakPolarHBondContact O-CB 3.37Å; A617-P714 WeakPolarHBondContact CB-O 3.17Å; P714-G716 PolarHBondContact O-N 3.16Å; P714-G716 VanDerWaalsContact O-N 3.08Å; P714-P845 WeakPolarHBondContact O-CA 3.42Å; P714-Q848 PolarHBondContact O-OE1 2.8Å |
| 715 | T | 85 | Confident | 90.9 | Very high | 13 Ų | 13 | 15.5 Ų | 15.5 | 8% | 0.08 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -13.1 | 174.5 | 68.7 | 0 | 0 | 0 | 0 | 114.7 | S713 R717 P845 K852 | S713-T715 PolarHBondContact O-N 3.19Å; S713-T715 VanDerWaalsContact O-N 3.16Å; S713-T715 PolarHBondContact OG-N 3.42Å; S713-T715 PolarHBondContact OG-OG1 3.5Å; T715-R717 PolarHBondContact O-N 2.9Å; T715-R717 VanDerWaalsContact O-N 3.15Å; T715-P845 WeakPolarHBondContact O-CB 3.37Å; T715-K852 HydrophobicContact CG2-CD 4.16Å |
| 716 | G | 82.6 | Confident | 91 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | S | Bend | trans | 73.8 | -7.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y5 S713 P714 | Y5-G716 PolarHBondContact OH-O 3.16Å; S713-G716 PolarHBondContact O-N 2.8Å; P714-G716 PolarHBondContact O-N 3.16Å; P714-G716 VanDerWaalsContact O-N 3.08Å |
| 717 | R | 84.5 | Confident | 91.2 | Very high | 76 Ų | 76 | 13.9 Ų | 13.9 | 29% | 0.287 | 7% | 0.07 | S | C | . | . | S | Bend | trans | -82.9 | -22.2 | -175.4 | -59.9 | -177.2 | 73.7 | 95.4 | -0.9 | 114.3 | T715 L732 D733 | T715-R717 PolarHBondContact O-N 2.9Å; T715-R717 VanDerWaalsContact O-N 3.15Å; R717-L732 PolarHBondContact O-N 2.66Å; R717-L732 VanDerWaalsContact O-N 3.1Å; R717-D733 IonicContact CZ-OD1 3.35Å; R717-D733 IonicContact NE-OD1 2.84Å; R717-D733 PolarHBondContact NE-OD1 3.47Å; R717-D733 IonicContact NE-OD2 3.55Å; R717-D733 IonicContact NH2-OD1 3.96Å; R717-D733 PolarHBondContact NH2-OD1 2.86Å |
| 718 | S | 90.9 | Very high | 91.2 | Very high | 19 Ų | 19 | 13.9 Ų | 13.9 | 13% | 0.133 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 162.5 | -176.5 | 61.7 | 0 | 0 | 0 | 0 | 111.4 | S713 Y730 | S713-S718 WeakPolarHBondContact CB-O 3.49Å; S713-S718 VanDerWaalsContact CB-OG 3.29Å; S713-S718 WeakPolarHBondContact CB-OG 3.46Å; S713-S718 PolarHBondContact N-O 2.9Å; S718-Y730 CarbonylContact C-O 3.58Å; S718-Y730 WeakPolarHBondContact CA-O 3.23Å; S718-Y730 WeakPolarHBondContact CB-O 3.45Å |
| 719 | W | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 157 | 167.8 | 58 | -91.1 | 0 | 0 | 0 | 109 | Y5 L623 V631 F645 L710 R711 F712 A721 Y730 | Y5-W719 AromaticContact CD1-CD1 3.51Å; Y5-W719 AromaticContact CD1-NE1 3.55Å; Y5-W719 AromaticContact CD2-NE1 3.63Å; Y5-W719 AromaticContact CE1-CD1 3.61Å; Y5-W719 AromaticContact CG-CD1 3.74Å; Y5-W719 AromaticContact CG-NE1 3.31Å; Y5-W719 VanDerWaalsContact CG-NE1 3.31Å; Y5-W719 AromaticContact CZ-CD1 3.93Å; L623-W719 HydrophobicContact CD1-CB 3.7Å; L623-W719 HydrophobicContact CD1-CD2 3.89Å; L623-W719 HydrophobicContact CD1-CE3 4.17Å; L623-W719 HydrophobicContact CD1-CG 3.7Å; L623-W719 HydrophobicContact CD2-CD2 4.4Å; V631-W719 HydrophobicContact CB-CH2 4.33Å; V631-W719 HydrophobicContact CG1-CH2 4.23Å; V631-W719 HydrophobicContact CG1-CZ3 4.33Å; F645-W719 HydrophobicContact CB-CH2 4.31Å; F645-W719 HydrophobicContact CB-CZ2 4.39Å; F645-W719 AromaticContact CD1-CZ2 3.95Å; F645-W719 HydrophobicContact CD1-CZ2 3.95Å; F645-W719 HydrophobicContact CD2-CH2 4.41Å; F645-W719 AromaticContact CD2-CZ2 3.89Å; F645-W719 HydrophobicContact CD2-CZ2 3.89Å; F645-W719 HydrophobicContact CE1-CZ2 4.18Å; F645-W719 HydrophobicContact CE2-CZ2 4.16Å; F645-W719 HydrophobicContact CG-CH2 4.19Å; F645-W719 AromaticContact CG-CZ2 3.79Å; F645-W719 HydrophobicContact CG-CZ2 3.79Å; F645-W719 HydrophobicContact CZ-CZ2 4.28Å; L710-W719 HydrophobicContact CD2-CE3 4.39Å; L710-W719 HydrophobicContact CD2-CZ3 4.26Å; R711-W719 WeakPolarHBondContact O-CA 3.33Å; F712-W719 HydrophobicContact CD1-CB 3.69Å; F712-W719 HydrophobicContact CD1-CG 4.43Å; F712-W719 HydrophobicContact CE1-CB 3.98Å; F712-W719 AromaticContact CE1-CD1 3.96Å; F712-W719 HydrophobicContact CE1-CG 4.24Å; F712-W719 HydrophobicContact CG-CB 4.15Å; W719-A721 HydrophobicContact CE3-CB 4.46Å; W719-A721 HydrophobicContact CZ3-CB 3.94Å; W719-Y730 HydrophobicContact CD2-CD2 4.3Å; W719-Y730 HydrophobicContact CD2-CG 4.42Å; W719-Y730 VanDerWaalsContact CE2-CB 3.42Å; W719-Y730 AromaticContact CE2-CD2 4Å; W719-Y730 AromaticContact CE2-CG 3.79Å; W719-Y730 HydrophobicContact CE3-CD2 4.06Å; W719-Y730 HydrophobicContact CH2-CD1 4.3Å; W719-Y730 AromaticContact CH2-CD2 3.17Å; W719-Y730 HydrophobicContact CH2-CD2 3.17Å; W719-Y730 AromaticContact CH2-CE2 3.44Å; W719-Y730 HydrophobicContact CH2-CE2 3.44Å; W719-Y730 VanDerWaalsContact CH2-CE2 3.44Å; W719-Y730 AromaticContact CH2-CG 3.65Å; W719-Y730 HydrophobicContact CH2-CG 3.65Å; W719-Y730 AromaticContact CZ2-CD1 3.92Å; W719-Y730 HydrophobicContact CZ2-CD1 3.92Å; W719-Y730 AromaticContact CZ2-CD2 3.45Å; W719-Y730 HydrophobicContact CZ2-CD2 3.45Å; W719-Y730 VanDerWaalsContact CZ2-CD2 3.45Å; W719-Y730 HydrophobicContact CZ2-CE1 4.47Å; W719-Y730 HydrophobicContact CZ2-CE2 4.05Å; W719-Y730 AromaticContact CZ2-CG 3.38Å; W719-Y730 HydrophobicContact CZ2-CG 3.38Å; W719-Y730 AromaticContact CZ3-CD2 3.5Å; W719-Y730 HydrophobicContact CZ3-CD2 3.5Å; W719-Y730 VanDerWaalsContact CZ3-CD2 3.5Å; W719-Y730 AromaticContact CZ3-CE2 3.9Å; W719-Y730 HydrophobicContact CZ3-CE2 3.9Å; W719-Y730 HydrophobicContact CZ3-CG 4.26Å; W719-Y730 PolarHBondContact N-O 2.95Å; W719-Y730 PolarHBondContact O-N 2.87Å |
| 720 | A | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 150.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L381 Y383 I390 R711 L727 L728 V729 | L381-A720 HydrophobicContact CD2-CB 3.99Å; L381-A720 WeakPolarHBondContact CD2-O 3.32Å; Y383-A720 HydrophobicContact CE2-CB 3.84Å; Y383-A720 WeakPolarHBondContact OH-CB 3.46Å; I390-A720 HydrophobicContact CD1-CB 4.45Å; R711-A720 PolarHBondContact N-O 2.92Å; R711-A720 VanDerWaalsContact N-O 3.07Å; R711-A720 PolarHBondContact O-N 3Å; A720-L727 HydrophobicContact CB-CD1 3.86Å; A720-L728 CarbonylContact C-O 3.56Å; A720-L728 WeakPolarHBondContact CA-O 3Å; A720-V729 HydrophobicContact CB-CG2 4.14Å |
| 721 | A | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 131.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V707 L710 W719 T723 L728 | V707-A721 HydrophobicContact CG1-CB 4.22Å; L710-A721 HydrophobicContact CD2-CB 3.46Å; L710-A721 VanDerWaalsContact CD2-CB 3.46Å; W719-A721 HydrophobicContact CE3-CB 4.46Å; W719-A721 HydrophobicContact CZ3-CB 3.94Å; A721-T723 HydrophobicContact CB-CG2 4.19Å; A721-L728 PolarHBondContact N-O 2.81Å; A721-L728 PolarHBondContact O-N 2.86Å |
| 722 | T | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 120.2 | 168 | 49.4 | 0 | 0 | 0 | 0 | 109.7 | M378 L381 T392 V707 S708 S709 L727 | M378-T722 HydrophobicContact CB-CG2 4.04Å; M378-T722 HydrophobicContact CE-CG2 3.71Å; M378-T722 HydrophobicContact SD-CG2 4.25Å; L381-T722 HydrophobicContact CB-CG2 3.74Å; L381-T722 HydrophobicContact CD1-CG2 4Å; L381-T722 HydrophobicContact CG-CG2 4.33Å; T392-T722 HydrophobicContact CG2-CG2 4.3Å; V707-T722 WeakPolarHBondContact CA-O 3.23Å; S708-T722 PolarHBondContact N-O 2.77Å; S709-T722 WeakPolarHBondContact CA-OG1 3.48Å; S709-T722 WeakPolarHBondContact CB-OG1 3.43Å; S709-T722 PolarHBondContact N-OG1 2.73Å; S709-T722 PolarHBondContact O-N 3.18Å; S709-T722 PolarHBondContact O-OG1 3.35Å; T722-L727 HydrophobicContact CG2-CD1 4Å |
| 723 | T | 91.6 | Very high | 89.3 | Confident | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.012 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 177.4 | 179.8 | 74 | 0 | 0 | 0 | 0 | 110.6 | I647 R706 V707 A721 E725 G726 L728 | I647-T723 HydrophobicContact CD1-CG2 4.26Å; I647-T723 HydrophobicContact CG2-CG2 3.65Å; R706-T723 WeakPolarHBondContact O-CA 3.44Å; V707-T723 HydrophobicContact CG2-CG2 4.31Å; A721-T723 HydrophobicContact CB-CG2 4.19Å; T723-E725 VanDerWaalsContact C-N 3.25Å; T723-E725 PolarHBondContact O-N 3.1Å; T723-E725 PolarHBondContact OG1-N 3.12Å; T723-G726 PolarHBondContact N-O 2.88Å; T723-G726 PolarHBondContact O-N 3.3Å; T723-G726 PolarHBondContact OG1-N 2.97Å; T723-G726 PolarHBondContact OG1-O 3.07Å; T723-L728 HydrophobicContact CG2-CD1 3.86Å |
| 724 | T | 88.2 | Confident | 87.7 | Confident | 14 Ų | 14 | 18.2 Ų | 18.2 | 9% | 0.086 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -74.7 | -15.1 | 176.5 | 58 | 0 | 0 | 0 | 0 | 113.4 | N377 E704 I705 R706 | N377-T724 WeakPolarHBondContact OD1-CG2 3.46Å; E704-T724 WeakPolarHBondContact O-CG2 3.49Å; E704-T724 PolarHBondContact O-OG1 2.75Å; I705-T724 VanDerWaalsContact CD1-OG1 3.27Å; I705-T724 WeakPolarHBondContact CD1-OG1 3.42Å; R706-T724 HydrophobicContact CG-CG2 3.9Å |
| 725 | E | 86.6 | Confident | 86.3 | Confident | 10 Ų | 10 | 18.6 Ų | 18.6 | 5% | 0.047 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -80 | -35.1 | 169.8 | -76.6 | -176.2 | 166.5 | 0 | 0 | 112.1 | A13 S648 N650 F653 T723 | A13-E725 WeakPolarHBondContact CB-O 3.45Å; S648-E725 VanDerWaalsContact CB-OE1 3.27Å; S648-E725 WeakPolarHBondContact CB-OE1 3.41Å; S648-E725 VanDerWaalsContact OG-CD 3.31Å; S648-E725 PolarHBondContact OG-OE1 3.13Å; N650-E725 WeakPolarHBondContact CB-OE1 3.5Å; F653-E725 HydrophobicContact CD2-CG 4.42Å; F653-E725 HydrophobicContact CE2-CG 3.32Å; F653-E725 VanDerWaalsContact CE2-OE1 3.24Å; F653-E725 WeakPolarHBondContact CE2-OE1 3.17Å; F653-E725 HydrophobicContact CZ-CB 4.5Å; F653-E725 HydrophobicContact CZ-CG 3.4Å; T723-E725 VanDerWaalsContact C-N 3.25Å; T723-E725 PolarHBondContact O-N 3.1Å; T723-E725 PolarHBondContact OG1-N 3.12Å |
| 726 | G | 90.3 | Very high | 85.5 | Confident | 5 Ų | 5 | 26.9 Ų | 26.9 | 5% | 0.052 | 16% | 0.156 | C | C | . | . | trans | 150.5 | -159 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | M378 T723 | M378-G726 WeakPolarHBondContact CE-O 3.3Å; T723-G726 PolarHBondContact N-O 2.88Å; T723-G726 PolarHBondContact O-N 3.3Å; T723-G726 PolarHBondContact OG1-N 2.97Å; T723-G726 PolarHBondContact OG1-O 3.07Å | ||
| 727 | L | 93.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 100.6 | -176.1 | 172.6 | 62.9 | 0 | 0 | 0 | 108.8 | L11 M378 L381 I390 T392 A720 T722 | L11-L727 HydrophobicContact CB-CB 3.94Å; L11-L727 HydrophobicContact CB-CD2 3.83Å; L11-L727 HydrophobicContact CB-CG 4.03Å; L11-L727 HydrophobicContact CD1-CD2 4.1Å; L11-L727 PolarHBondContact N-O 3.1Å; L11-L727 WeakPolarHBondContact O-CA 3.46Å; L11-L727 WeakPolarHBondContact O-CB 3.33Å; L11-L727 PolarHBondContact O-N 3.44Å; M378-L727 HydrophobicContact CE-CB 3.87Å; M378-L727 VanDerWaalsContact CE-N 3.31Å; M378-L727 HydrophobicContact SD-CB 4.22Å; L381-L727 HydrophobicContact CD1-CD1 3.47Å; L381-L727 VanDerWaalsContact CD1-CD1 3.47Å; L381-L727 HydrophobicContact CD1-CD2 4.28Å; L381-L727 HydrophobicContact CD2-CD1 4.37Å; I390-L727 HydrophobicContact CB-CD2 4.41Å; I390-L727 HydrophobicContact CD1-CD2 4.19Å; I390-L727 HydrophobicContact CG2-CD2 3.65Å; T392-L727 HydrophobicContact CG2-CD2 3.93Å; A720-L727 HydrophobicContact CB-CD1 3.86Å; T722-L727 HydrophobicContact CG2-CD1 4Å |
| 728 | L | 93.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 126.8 | -178.7 | -68.4 | 161.7 | 0 | 0 | 0 | 109.8 | F7 L10 I647 A720 A721 T723 Y730 | F7-L728 HydrophobicContact CD2-CD2 4.07Å; F7-L728 HydrophobicContact CE2-CD2 3.48Å; F7-L728 VanDerWaalsContact CE2-CD2 3.48Å; F7-L728 HydrophobicContact CZ-CD2 4.44Å; L10-L728 HydrophobicContact CB-CD2 4.32Å; L10-L728 HydrophobicContact CD1-CD2 3.62Å; L10-L728 HydrophobicContact CD1-CG 3.95Å; L10-L728 HydrophobicContact CG-CD2 4.47Å; I647-L728 HydrophobicContact CB-CD1 4.31Å; I647-L728 HydrophobicContact CG2-CD1 3.11Å; A720-L728 CarbonylContact C-O 3.56Å; A720-L728 WeakPolarHBondContact CA-O 3Å; A721-L728 PolarHBondContact N-O 2.81Å; A721-L728 PolarHBondContact O-N 2.86Å; T723-L728 HydrophobicContact CG2-CD1 3.86Å; L728-Y730 HydrophobicContact CB-CE2 3.99Å |
| 729 | V | 93.9 | Very high | 84.8 | Confident | 16 Ų | 16 | 34.7 Ų | 34.7 | 10% | 0.097 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 123.7 | 176 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | S8 N9 L11 I390 A720 | S8-V729 WeakPolarHBondContact CB-O 3.45Å; S8-V729 PolarHBondContact N-O 3.1Å; N9-V729 PolarHBondContact N-O 3.47Å; N9-V729 PolarHBondContact O-N 3.48Å; L11-V729 HydrophobicContact CD1-CG2 3.86Å; L11-V729 HydrophobicContact CG-CG2 4.07Å; I390-V729 HydrophobicContact CD1-CG2 4.49Å; A720-V729 HydrophobicContact CB-CG2 4.14Å |
| 730 | Y | 92.4 | Very high | 84.5 | Confident | 11 Ų | 11 | 36.5 Ų | 36.5 | 4% | 0.043 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132.7 | 173.4 | -71.5 | -100.8 | 0 | 0 | 0 | 109.3 | R6 F7 F645 E646 S718 W719 L728 | R6-Y730 CarbonylContact O-C 3.49Å; R6-Y730 VanDerWaalsContact O-CA 3.25Å; R6-Y730 WeakPolarHBondContact O-CA 3.32Å; F7-Y730 HydrophobicContact CB-CD1 4.38Å; F7-Y730 HydrophobicContact CB-CE1 4.12Å; F645-Y730 HydrophobicContact CD1-CD1 4.24Å; F645-Y730 HydrophobicContact CD1-CE1 4.18Å; E646-Y730 PolarHBondContact O-OH 3.01Å; S718-Y730 CarbonylContact C-O 3.58Å; S718-Y730 WeakPolarHBondContact CA-O 3.23Å; S718-Y730 WeakPolarHBondContact CB-O 3.45Å; W719-Y730 HydrophobicContact CD2-CD2 4.3Å; W719-Y730 HydrophobicContact CD2-CG 4.42Å; W719-Y730 VanDerWaalsContact CE2-CB 3.42Å; W719-Y730 AromaticContact CE2-CD2 4Å; W719-Y730 AromaticContact CE2-CG 3.79Å; W719-Y730 HydrophobicContact CE3-CD2 4.06Å; W719-Y730 HydrophobicContact CH2-CD1 4.3Å; W719-Y730 AromaticContact CH2-CD2 3.17Å; W719-Y730 HydrophobicContact CH2-CD2 3.17Å; W719-Y730 AromaticContact CH2-CE2 3.44Å; W719-Y730 HydrophobicContact CH2-CE2 3.44Å; W719-Y730 VanDerWaalsContact CH2-CE2 3.44Å; W719-Y730 AromaticContact CH2-CG 3.65Å; W719-Y730 HydrophobicContact CH2-CG 3.65Å; W719-Y730 AromaticContact CZ2-CD1 3.92Å; W719-Y730 HydrophobicContact CZ2-CD1 3.92Å; W719-Y730 AromaticContact CZ2-CD2 3.45Å; W719-Y730 HydrophobicContact CZ2-CD2 3.45Å; W719-Y730 VanDerWaalsContact CZ2-CD2 3.45Å; W719-Y730 HydrophobicContact CZ2-CE1 4.47Å; W719-Y730 HydrophobicContact CZ2-CE2 4.05Å; W719-Y730 AromaticContact CZ2-CG 3.38Å; W719-Y730 HydrophobicContact CZ2-CG 3.38Å; W719-Y730 AromaticContact CZ3-CD2 3.5Å; W719-Y730 HydrophobicContact CZ3-CD2 3.5Å; W719-Y730 VanDerWaalsContact CZ3-CD2 3.5Å; W719-Y730 AromaticContact CZ3-CE2 3.9Å; W719-Y730 HydrophobicContact CZ3-CE2 3.9Å; W719-Y730 HydrophobicContact CZ3-CG 4.26Å; W719-Y730 PolarHBondContact N-O 2.95Å; W719-Y730 PolarHBondContact O-N 2.87Å; L728-Y730 HydrophobicContact CB-CE2 3.99Å |
| 731 | S | 89.8 | Confident | 84 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 5% | 0.049 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 155.3 | -178.5 | -179.9 | 0 | 0 | 0 | 0 | 111 | R6 D733 | R6-S731 PolarHBondContact N-O 3.44Å; R6-S731 PolarHBondContact O-N 3.03Å; S731-D733 VanDerWaalsContact C-N 3.31Å; S731-D733 PolarHBondContact OG-N 2.74Å; S731-D733 VanDerWaalsContact OG-N 3.09Å; S731-D733 PolarHBondContact OG-OD2 3.41Å |
| 732 | L | 84.9 | Confident | 83.5 | Confident | 38 Ų | 38 | 45.7 Ų | 45.7 | 20% | 0.199 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -75.6 | -21.7 | 168.9 | -64.2 | 172.8 | 0 | 0 | 0 | 112.5 | K2 Y5 R717 G734 S735 | K2-L732 WeakPolarHBondContact O-CD2 2.99Å; Y5-L732 HydrophobicContact CD1-CD2 3.74Å; Y5-L732 HydrophobicContact CD1-CG 3.8Å; Y5-L732 HydrophobicContact CD2-CD2 4.21Å; Y5-L732 HydrophobicContact CE1-CD1 4.13Å; Y5-L732 HydrophobicContact CE1-CD2 3.83Å; Y5-L732 HydrophobicContact CE1-CG 3.59Å; Y5-L732 HydrophobicContact CE2-CD2 4.29Å; Y5-L732 HydrophobicContact CG-CD2 3.93Å; Y5-L732 HydrophobicContact CG-CG 4.49Å; R717-L732 PolarHBondContact O-N 2.66Å; R717-L732 VanDerWaalsContact O-N 3.1Å; L732-G734 VanDerWaalsContact C-N 3.28Å; L732-G734 PolarHBondContact O-N 2.83Å; L732-S735 PolarHBondContact O-N 3.39Å; L732-S735 PolarHBondContact O-OG 2.75Å |
| 733 | D | 69.5 | Low | 83.3 | Confident | 90 Ų | 90 | 49.8 Ų | 49.8 | 48% | 0.481 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -23 | -171.6 | -63.9 | -38.5 | 0 | 0 | 0 | 113.9 | R717 S731 S735 | R717-D733 IonicContact CZ-OD1 3.35Å; R717-D733 IonicContact NE-OD1 2.84Å; R717-D733 PolarHBondContact NE-OD1 3.47Å; R717-D733 IonicContact NE-OD2 3.55Å; R717-D733 IonicContact NH2-OD1 3.96Å; R717-D733 PolarHBondContact NH2-OD1 2.86Å; S731-D733 VanDerWaalsContact C-N 3.31Å; S731-D733 PolarHBondContact OG-N 2.74Å; S731-D733 VanDerWaalsContact OG-N 3.09Å; S731-D733 PolarHBondContact OG-OD2 3.41Å; D733-S735 VanDerWaalsContact C-N 3.25Å; D733-S735 PolarHBondContact O-N 3.02Å |
| 734 | G | 57.3 | Low | 83.2 | Confident | 55 Ų | 55 | 54 Ų | 54 | 57% | 0.567 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 0.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L732 | L732-G734 VanDerWaalsContact C-N 3.28Å; L732-G734 PolarHBondContact O-N 2.83Å |
| 735 | S | 59.8 | Low | 83.2 | Confident | 34 Ų | 34 | 61.5 Ų | 61.5 | 24% | 0.238 | 33% | 0.334 | C | S | . | . | trans | -97.6 | 110.1 | -174.5 | 70.6 | 0 | 0 | 0 | 0 | 111.8 | L732 D733 V737 | L732-S735 PolarHBondContact O-N 3.39Å; L732-S735 PolarHBondContact O-OG 2.75Å; D733-S735 VanDerWaalsContact C-N 3.25Å; D733-S735 PolarHBondContact O-N 3.02Å; S735-V737 PolarHBondContact O-N 3.27Å | ||
| 736 | L | 67.8 | Low | 83.3 | Confident | 186 Ų | 186 | 67 Ų | 67 | 97% | 0.974 | 36% | 0.364 | S | S | * | . | trans | -77.6 | 50.6 | 166 | -70.8 | 167.9 | 0 | 0 | 0 | 110.3 | ||||
| 737 | V | 77.2 | Confident | 83.4 | Confident | 82 Ų | 82 | 67.2 Ų | 67.2 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | trans | -93 | 117.9 | 179.8 | 179.9 | 0 | 0 | 0 | 0 | 107.8 | S735 D739 | S735-V737 PolarHBondContact O-N 3.27Å; V737-D739 HydrophobicContact CG1-CB 4.21Å; V737-D739 PolarHBondContact O-N 3.19Å | ||
| 738 | F | 84.9 | Confident | 83.3 | Confident | 118 Ų | 118 | 70 Ų | 70 | 52% | 0.518 | 38% | 0.382 | S | S | . | . | trans | -72.4 | 113.9 | 167.8 | 179.1 | -109 | 0 | 0 | 0 | 108.6 | P740 L771 E773 | F738-P740 HydrophobicContact CE1-CG 3.99Å; F738-P740 HydrophobicContact CZ-CB 4.27Å; F738-P740 HydrophobicContact CZ-CG 4.18Å; F738-L771 HydrophobicContact CE2-CD1 3.82Å; F738-L771 HydrophobicContact CE2-CG 4.25Å; F738-L771 HydrophobicContact CZ-CD1 3.77Å; F738-E773 HydrophobicContact CD2-CG 4.34Å; F738-E773 HydrophobicContact CE2-CG 4.31Å | ||
| 739 | D | 81.8 | Confident | 83.3 | Confident | 61 Ų | 61 | 72.5 Ų | 72.5 | 33% | 0.326 | 40% | 0.398 | S | S | . | . | trans | -143.1 | 84.5 | -172.8 | -174.3 | -16.8 | 0 | 0 | 0 | 109.3 | K2 V737 N772 | K2-D739 VanDerWaalsContact CD-OD2 3.26Å; K2-D739 WeakPolarHBondContact CD-OD2 3.23Å; K2-D739 VanDerWaalsContact CE-OD2 3.26Å; K2-D739 WeakPolarHBondContact CE-OD2 3.46Å; K2-D739 IonicContact NZ-OD1 2.83Å; K2-D739 PolarHBondContact NZ-OD1 3.28Å; K2-D739 IonicContact NZ-OD2 3.68Å; K2-D739 PolarHBondContact NZ-OD2 3.33Å; V737-D739 HydrophobicContact CG1-CB 4.21Å; V737-D739 PolarHBondContact O-N 3.19Å; D739-N772 WeakPolarHBondContact O-CB 2.99Å; D739-N772 PolarHBondContact O-ND2 3.37Å | ||
| 740 | P | 87.6 | Confident | 83.3 | Confident | 37 Ų | 37 | 75.1 Ų | 75.1 | 24% | 0.24 | 42% | 0.421 | C | S | . | . | trans | -69.8 | 149.1 | 179.2 | 31 | -34.6 | 0 | 0 | 0 | 110.2 | F738 L743 R770 | F738-P740 HydrophobicContact CE1-CG 3.99Å; F738-P740 HydrophobicContact CZ-CB 4.27Å; F738-P740 HydrophobicContact CZ-CG 4.18Å; P740-L743 HydrophobicContact CB-CB 4.06Å; P740-L743 HydrophobicContact CB-CD1 4.02Å; P740-L743 HydrophobicContact CB-CG 4.48Å; P740-L743 HydrophobicContact CG-CB 4.19Å; P740-L743 HydrophobicContact CG-CD2 4.34Å; P740-R770 CarbonylContact C-O 3.51Å; P740-R770 WeakPolarHBondContact CA-O 3.19Å | ||
| 741 | Y | 83.9 | Confident | 83.4 | Confident | 119 Ų | 119 | 75.9 Ų | 75.9 | 47% | 0.467 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -79.9 | -46.2 | 177.8 | 179.3 | -115.8 | 0 | 0 | 0 | 112.2 | R770 V799 Y800 K803 | Y741-R770 PolarHBondContact N-O 3.24Å; Y741-V799 HydrophobicContact CE1-CG1 4.21Å; Y741-Y800 HydrophobicContact CD1-CE1 4.22Å; Y741-Y800 HydrophobicContact CE1-CE1 4.49Å; Y741-K803 VanDerWaalsContact CE1-NZ 3.34Å; Y741-K803 VanDerWaalsContact CZ-NZ 3.27Å |
| 742 | D | 85.6 | Confident | 83.6 | Confident | 75 Ų | 75 | 75.6 Ų | 75.6 | 40% | 0.401 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -155.7 | 105.6 | -177.2 | -176.7 | 23.4 | 0 | 0 | 0 | 107.3 | R770 | D742-R770 HydrophobicContact CB-CG 4.45Å; D742-R770 VanDerWaalsContact O-CB 3.31Å; D742-R770 WeakPolarHBondContact O-CB 3.2Å; D742-R770 WeakPolarHBondContact O-CG 3.32Å |
| 743 | L | 88.6 | Confident | 84.1 | Confident | 86 Ų | 86 | 79.5 Ų | 79.5 | 45% | 0.45 | 44% | 0.438 | S | S | . | . | trans | -110 | 120.9 | -168.5 | -164.8 | 75.9 | 0 | 0 | 0 | 110.6 | P740 V747 L771 | P740-L743 HydrophobicContact CB-CB 4.06Å; P740-L743 HydrophobicContact CB-CD1 4.02Å; P740-L743 HydrophobicContact CB-CG 4.48Å; P740-L743 HydrophobicContact CG-CB 4.19Å; P740-L743 HydrophobicContact CG-CD2 4.34Å; L743-V747 HydrophobicContact CD1-CB 4.05Å; L743-V747 HydrophobicContact CD1-CG1 4.05Å; L743-L771 HydrophobicContact CD1-CD1 3.79Å | ||
| 744 | D | 90.1 | Very high | 85.3 | Confident | 91 Ų | 91 | 80.9 Ų | 80.9 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | trans | -108.4 | 162.7 | 168.3 | -82.6 | -44.6 | 0 | 0 | 0 | 110.4 | D746 V747 R770 | D744-D746 PolarHBondContact O-N 3.46Å; D744-D746 VanDerWaalsContact O-N 3.14Å; D744-V747 HydrophobicContact CB-CG2 3.94Å; D744-V747 WeakPolarHBondContact O-CB 3.48Å; D744-V747 PolarHBondContact O-N 2.6Å; D744-R770 IonicContact OD2-NH1 3.91Å | ||
| 745 | L | 89.1 | Confident | 87.1 | Confident | 170 Ų | 170 | 80.4 Ų | 80.4 | 89% | 0.89 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -28.3 | 176.6 | -68.9 | 170.6 | 0 | 0 | 0 | 113.1 | V747 | L745-V747 VanDerWaalsContact C-N 3.33Š|
| 746 | D | 87.7 | Confident | 88.7 | Confident | 127 Ų | 127 | 80.1 Ų | 80.1 | 68% | 0.679 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -10.9 | -179.9 | -64.2 | -33.4 | 0 | 0 | 0 | 113.5 | D744 T748 S751 | D744-D746 PolarHBondContact O-N 3.46Å; D744-D746 VanDerWaalsContact O-N 3.14Å; D746-T748 PolarHBondContact O-N 3.21Å; D746-T748 VanDerWaalsContact O-N 3.12Å; D746-S751 WeakPolarHBondContact O-CB 3.41Å; D746-S751 PolarHBondContact O-OG 2.97Å; D746-S751 VanDerWaalsContact O-OG 3.1Å |
| 747 | V | 91.8 | Very high | 90 | Very high | 8 Ų | 8 | 80.4 Ų | 80.4 | 5% | 0.048 | 41% | 0.408 | C | S | . | . | trans | -86.6 | 83.1 | -177.1 | -173 | 0 | 0 | 0 | 0 | 109.4 | L743 D744 L745 L767 R770 L771 | L743-V747 HydrophobicContact CD1-CB 4.05Å; L743-V747 HydrophobicContact CD1-CG1 4.05Å; D744-V747 HydrophobicContact CB-CG2 3.94Å; D744-V747 WeakPolarHBondContact O-CB 3.48Å; D744-V747 PolarHBondContact O-N 2.6Å; L745-V747 VanDerWaalsContact C-N 3.33Å; V747-L767 HydrophobicContact CB-CD2 4.49Å; V747-L767 HydrophobicContact CG1-CD2 4.44Å; V747-L767 HydrophobicContact CG2-CD2 3.79Å; V747-R770 HydrophobicContact CG1-CB 4.15Å; V747-L771 HydrophobicContact CG1-CB 3.97Å; V747-L771 HydrophobicContact CG1-CD1 4.4Å | ||
| 748 | T | 92.7 | Very high | 90.9 | Very high | 60 Ų | 60 | 82 Ų | 82 | 37% | 0.368 | 41% | 0.413 | S | S | . | . | trans | -125 | 155.1 | 175.5 | 61.2 | 0 | 0 | 0 | 0 | 111.7 | D746 A750 S751 I752 | D746-T748 PolarHBondContact O-N 3.21Å; D746-T748 VanDerWaalsContact O-N 3.12Å; T748-A750 PolarHBondContact O-N 2.9Å; T748-S751 WeakPolarHBondContact O-CB 3.22Å; T748-S751 PolarHBondContact O-N 2.73Å; T748-S751 WeakPolarHBondContact OG1-CB 3.17Å; T748-S751 PolarHBondContact OG1-N 3.11Å; T748-I752 WeakPolarHBondContact O-CG1 3.45Å; T748-I752 PolarHBondContact O-N 2.89Å | ||
| 749 | P | 93.9 | Very high | 91.3 | Very high | 52 Ų | 52 | 82.8 Ų | 82.8 | 34% | 0.338 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -53.6 | -35.5 | 173.4 | -27.3 | 34.5 | 0 | 0 | 0 | 113.4 | I752 R753 L771 L776 | P749-I752 PolarHBondContact O-N 3.25Å; P749-R753 WeakPolarHBondContact O-CG 3.12Å; P749-R753 PolarHBondContact O-N 3.08Å; P749-L771 HydrophobicContact CG-CD2 3.89Å; P749-L776 HydrophobicContact CB-CD1 3.77Å; P749-L776 HydrophobicContact CB-CD2 4.39Å; P749-L776 HydrophobicContact CG-CD1 3.8Å |
| 750 | A | 94 | Very high | 91.8 | Very high | 70 Ų | 70 | 83.2 Ų | 83.2 | 58% | 0.579 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -66.6 | -39.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T748 K754 | T748-A750 PolarHBondContact O-N 2.9Å; A750-K754 WeakPolarHBondContact O-CB 3.31Å; A750-K754 PolarHBondContact O-N 3.16Å |
| 751 | S | 93.8 | Very high | 92.1 | Very high | 28 Ų | 28 | 82.6 Ų | 82.6 | 20% | 0.196 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 174.7 | -170.1 | 0 | 0 | 0 | 0 | 111.1 | D746 T748 R753 K754 Q755 | D746-S751 WeakPolarHBondContact O-CB 3.41Å; D746-S751 PolarHBondContact O-OG 2.97Å; D746-S751 VanDerWaalsContact O-OG 3.1Å; T748-S751 WeakPolarHBondContact O-CB 3.22Å; T748-S751 PolarHBondContact O-N 2.73Å; T748-S751 WeakPolarHBondContact OG1-CB 3.17Å; T748-S751 PolarHBondContact OG1-N 3.11Å; S751-R753 PolarHBondContact O-N 3.34Å; S751-K754 WeakPolarHBondContact O-CA 3.48Å; S751-K754 VanDerWaalsContact O-CB 3.3Å; S751-K754 WeakPolarHBondContact O-CB 3.47Å; S751-K754 PolarHBondContact O-N 3.23Å; S751-Q755 PolarHBondContact O-N 3.29Å |
| 752 | I | 94.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.005 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.3 | -50.9 | 176.4 | -65 | 164.2 | 0 | 0 | 0 | 110.7 | T748 P749 K754 Q755 V756 L767 A768 L771 L776 V780 | T748-I752 WeakPolarHBondContact O-CG1 3.45Å; T748-I752 PolarHBondContact O-N 2.89Å; P749-I752 PolarHBondContact O-N 3.25Å; I752-K754 PolarHBondContact O-N 2.93Å; I752-Q755 PolarHBondContact O-N 3.33Å; I752-V756 WeakPolarHBondContact O-CG2 3.44Å; I752-V756 PolarHBondContact O-N 2.95Å; I752-L767 HydrophobicContact CD1-CB 4.4Å; I752-L767 HydrophobicContact CG1-CB 3.71Å; I752-A768 HydrophobicContact CD1-CB 4.36Å; I752-A768 HydrophobicContact CG2-CB 4.44Å; I752-L771 HydrophobicContact CD1-CB 4.31Å; I752-L771 HydrophobicContact CD1-CD2 3.85Å; I752-L776 HydrophobicContact CD1-CD1 4.41Å; I752-V780 HydrophobicContact CG2-CG2 3.34Å |
| 753 | R | 95 | Very high | 92.8 | Very high | 120 Ų | 120 | 76.6 Ų | 76.6 | 45% | 0.453 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.3 | -26 | 176.6 | -72.3 | -179.4 | 173.4 | 156.1 | 6.9 | 113.3 | P749 S751 R757 E779 | P749-R753 WeakPolarHBondContact O-CG 3.12Å; P749-R753 PolarHBondContact O-N 3.08Å; S751-R753 PolarHBondContact O-N 3.34Å; R753-R757 WeakPolarHBondContact O-CG 3.2Å; R753-R757 PolarHBondContact O-N 2.66Å; R753-R757 PolarHBondContact O-NE 3.12Å; R753-E779 IonicContact CZ-OE1 3.65Å; R753-E779 IonicContact CZ-OE2 2.9Å; R753-E779 IonicContact NE-OE1 2.84Å; R753-E779 PolarHBondContact NE-OE1 3.25Å; R753-E779 IonicContact NE-OE2 2.9Å; R753-E779 PolarHBondContact NE-OE2 2.89Å; R753-E779 IonicContact NH2-OE1 3.46Å; R753-E779 IonicContact NH2-OE2 3.7Å; R753-E779 PolarHBondContact NH2-OE2 3.06Å |
| 754 | K | 95.3 | Very high | 93.1 | Very high | 119 Ų | 119 | 72.5 Ų | 72.5 | 52% | 0.517 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.4 | -43.4 | 171.3 | -172.7 | -176.3 | 175.8 | -173.5 | 0 | 110.8 | A750 S751 I752 R757 L758 | A750-K754 WeakPolarHBondContact O-CB 3.31Å; A750-K754 PolarHBondContact O-N 3.16Å; S751-K754 WeakPolarHBondContact O-CA 3.48Å; S751-K754 VanDerWaalsContact O-CB 3.3Å; S751-K754 WeakPolarHBondContact O-CB 3.47Å; S751-K754 PolarHBondContact O-N 3.23Å; I752-K754 PolarHBondContact O-N 2.93Å; K754-R757 WeakPolarHBondContact O-CB 3.39Å; K754-R757 PolarHBondContact O-N 2.89Å; K754-L758 HydrophobicContact CG-CD1 4.35Å; K754-L758 WeakPolarHBondContact O-CG 3.09Å; K754-L758 PolarHBondContact O-N 3.16Å |
| 755 | Q | 94.1 | Very high | 93.2 | Very high | 44 Ų | 44 | 68.2 Ų | 68.2 | 21% | 0.206 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 177.4 | -62.3 | -56.4 | -10.5 | 0 | 0 | 112.8 | S751 I752 R757 L758 Q759 D760 A764 L767 | S751-Q755 PolarHBondContact O-N 3.29Å; I752-Q755 PolarHBondContact O-N 3.33Å; Q755-R757 VanDerWaalsContact C-N 3.28Å; Q755-R757 PolarHBondContact O-N 3.43Å; Q755-L758 CarbonylContact O-C 3.56Å; Q755-L758 PolarHBondContact O-N 3.08Å; Q755-Q759 PolarHBondContact O-N 3.24Å; Q755-Q759 VanDerWaalsContact O-N 3.09Å; Q755-D760 PolarHBondContact O-N 2.94Å; Q755-A764 HydrophobicContact CB-CB 3.91Å; Q755-L767 HydrophobicContact CG-CD1 3.95Å |
| 756 | V | 94.6 | Very high | 93.4 | Very high | 28 Ų | 28 | 61 Ų | 61 | 17% | 0.17 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57 | -42.4 | 171.9 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | I752 L758 Q759 W761 A764 V780 A783 | I752-V756 WeakPolarHBondContact O-CG2 3.44Å; I752-V756 PolarHBondContact O-N 2.95Å; V756-L758 VanDerWaalsContact C-N 3.33Å; V756-L758 PolarHBondContact O-N 3.43Å; V756-Q759 PolarHBondContact O-N 3.3Å; V756-W761 HydrophobicContact CG1-CZ3 4.07Å; V756-A764 HydrophobicContact CG2-CB 3.91Å; V756-V780 HydrophobicContact CG2-CG1 4.38Å; V756-V780 HydrophobicContact CG2-CG2 3.89Å; V756-A783 HydrophobicContact CG1-CB 3.93Å |
| 757 | R | 94.7 | Very high | 93.5 | Very high | 192 Ų | 192 | 56.2 Ų | 56.2 | 73% | 0.725 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -67.8 | -31 | 175.7 | -75.2 | -177.3 | -68.8 | -178.8 | 0.6 | 113.6 | R753 K754 Q755 Q759 | R753-R757 WeakPolarHBondContact O-CG 3.2Å; R753-R757 PolarHBondContact O-N 2.66Å; R753-R757 PolarHBondContact O-NE 3.12Å; K754-R757 WeakPolarHBondContact O-CB 3.39Å; K754-R757 PolarHBondContact O-N 2.89Å; Q755-R757 VanDerWaalsContact C-N 3.28Å; Q755-R757 PolarHBondContact O-N 3.43Å; R757-Q759 PolarHBondContact O-N 2.91Å |
| 758 | L | 95.1 | Very high | 93.6 | Very high | 115 Ų | 115 | 55.9 Ų | 55.9 | 60% | 0.602 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -3.6 | 175.1 | -67.8 | 173.2 | 0 | 0 | 0 | 112.9 | K754 Q755 V756 D760 | K754-L758 HydrophobicContact CG-CD1 4.35Å; K754-L758 WeakPolarHBondContact O-CG 3.09Å; K754-L758 PolarHBondContact O-N 3.16Å; Q755-L758 CarbonylContact O-C 3.56Å; Q755-L758 PolarHBondContact O-N 3.08Å; V756-L758 VanDerWaalsContact C-N 3.33Å; V756-L758 PolarHBondContact O-N 3.43Å; L758-D760 PolarHBondContact O-N 2.73Å |
| 759 | Q | 92.9 | Very high | 93.5 | Very high | 135 Ų | 135 | 53.2 Ų | 53.2 | 63% | 0.631 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 25.1 | -175.9 | -55.4 | -178.1 | -16.6 | 0 | 0 | 113.9 | Q755 V756 R757 W761 | Q755-Q759 PolarHBondContact O-N 3.24Å; Q755-Q759 VanDerWaalsContact O-N 3.09Å; V756-Q759 PolarHBondContact O-N 3.3Å; R757-Q759 PolarHBondContact O-N 2.91Å; Q759-W761 HydrophobicContact CB-CZ2 3.81Å; Q759-W761 HydrophobicContact CG-CH2 4.38Å; Q759-W761 HydrophobicContact CG-CZ2 3.87Å; Q759-W761 PolarHBondContact O-N 3.27Å; Q759-W761 PolarHBondContact O-NE1 3.36Å |
| 760 | D | 93.7 | Very high | 93.4 | Very high | 71 Ų | 71 | 53.7 Ų | 53.7 | 38% | 0.38 | 26% | 0.262 | S | S | . | . | trans | -92.2 | 86.3 | 168.6 | -175.5 | 6.2 | 0 | 0 | 0 | 109.7 | Q755 L758 S763 A764 | Q755-D760 PolarHBondContact O-N 2.94Å; L758-D760 PolarHBondContact O-N 2.73Å; D760-S763 PolarHBondContact O-OG 3.3Å; D760-S763 PolarHBondContact OD1-N 3.31Å; D760-S763 PolarHBondContact OD1-OG 2.52Å; D760-S763 WeakPolarHBondContact OD2-CB 3.44Å; D760-S763 PolarHBondContact OD2-OG 2.91Å; D760-A764 WeakPolarHBondContact O-CB 3.4Å; D760-A764 PolarHBondContact O-N 2.64Å | ||
| 761 | W | 93.6 | Very high | 93.3 | Very high | 23 Ų | 23 | 50.7 Ų | 50.7 | 9% | 0.087 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.3 | -34.7 | -173 | -47.2 | 109.1 | 0 | 0 | 0 | 112.9 | V756 Q759 A764 I765 A783 V784 P785 V792 | V756-W761 HydrophobicContact CG1-CZ3 4.07Å; Q759-W761 HydrophobicContact CB-CZ2 3.81Å; Q759-W761 HydrophobicContact CG-CH2 4.38Å; Q759-W761 HydrophobicContact CG-CZ2 3.87Å; Q759-W761 PolarHBondContact O-N 3.27Å; Q759-W761 PolarHBondContact O-NE1 3.36Å; W761-A764 PolarHBondContact O-N 2.83Å; W761-I765 WeakPolarHBondContact O-CB 3.33Å; W761-I765 WeakPolarHBondContact O-CG1 3.46Å; W761-I765 PolarHBondContact O-N 3.4Å; W761-A783 WeakPolarHBondContact CH2-O 3.14Å; W761-A783 HydrophobicContact CZ3-CB 4Å; W761-A783 WeakPolarHBondContact CZ3-O 3.33Å; W761-V784 HydrophobicContact CB-CG2 4.1Å; W761-V784 HydrophobicContact CD2-CG2 4.21Å; W761-V784 HydrophobicContact CE3-CG2 3.93Å; W761-V784 HydrophobicContact CG-CG2 4.28Å; W761-P785 HydrophobicContact CZ2-CG 4.19Å; W761-V792 HydrophobicContact CB-CG2 3.87Å; W761-V792 HydrophobicContact CG-CG2 4.48Å |
| 762 | V | 93.3 | Very high | 93.1 | Very high | 38 Ų | 38 | 51.8 Ų | 51.8 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.5 | -48.8 | -175.1 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | A764 I765 V766 V792 S795 | V762-A764 VanDerWaalsContact C-N 3.35Å; V762-I765 PolarHBondContact O-N 3.39Å; V762-V766 WeakPolarHBondContact O-CG2 3.44Å; V762-V766 PolarHBondContact O-N 3.43Å; V762-V792 HydrophobicContact CG2-CG1 4.4Å; V762-V792 HydrophobicContact CG2-CG2 4.36Å; V762-S795 WeakPolarHBondContact CG2-OG 3.22Å |
| 763 | S | 91.4 | Very high | 92.8 | Very high | 30 Ų | 30 | 55.4 Ų | 55.4 | 21% | 0.21 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 176.6 | 71.9 | 0 | 0 | 0 | 0 | 111.3 | D760 I765 V766 L767 | D760-S763 PolarHBondContact O-OG 3.3Å; D760-S763 PolarHBondContact OD1-N 3.31Å; D760-S763 PolarHBondContact OD1-OG 2.52Å; D760-S763 WeakPolarHBondContact OD2-CB 3.44Å; D760-S763 PolarHBondContact OD2-OG 2.91Å; S763-I765 PolarHBondContact O-N 3.36Å; S763-V766 PolarHBondContact O-N 2.84Å; S763-L767 WeakPolarHBondContact O-CB 3.41Å; S763-L767 WeakPolarHBondContact O-CG 3.49Å; S763-L767 PolarHBondContact O-N 2.59Å |
| 764 | A | 93.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.2 | -46 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q755 V756 D760 W761 V762 A768 V780 | Q755-A764 HydrophobicContact CB-CB 3.91Å; V756-A764 HydrophobicContact CG2-CB 3.91Å; D760-A764 WeakPolarHBondContact O-CB 3.4Å; D760-A764 PolarHBondContact O-N 2.64Å; W761-A764 PolarHBondContact O-N 2.83Å; V762-A764 VanDerWaalsContact C-N 3.35Å; A764-A768 WeakPolarHBondContact O-CB 3.46Å; A764-A768 PolarHBondContact O-N 2.91Å; A764-V780 HydrophobicContact CB-CG1 3.85Å |
| 765 | I | 92.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.9 | -49.8 | 177.8 | -72.8 | 167.7 | 0 | 0 | 0 | 110.1 | W761 V762 S763 L767 A768 F769 V780 L781 V784 V792 L796 W824 | W761-I765 WeakPolarHBondContact O-CB 3.33Å; W761-I765 WeakPolarHBondContact O-CG1 3.46Å; W761-I765 PolarHBondContact O-N 3.4Å; V762-I765 PolarHBondContact O-N 3.39Å; S763-I765 PolarHBondContact O-N 3.36Å; I765-L767 VanDerWaalsContact C-N 3.32Å; I765-L767 PolarHBondContact O-N 3.21Å; I765-A768 PolarHBondContact O-N 3.33Å; I765-A768 VanDerWaalsContact O-N 3.14Å; I765-F769 HydrophobicContact CG2-CD2 3.61Å; I765-F769 HydrophobicContact CG2-CE2 3.74Å; I765-F769 VanDerWaalsContact O-CD2 3.27Å; I765-F769 WeakPolarHBondContact O-CD2 3.43Å; I765-F769 PolarHBondContact O-N 3.27Å; I765-V780 HydrophobicContact CG1-CG1 3.67Å; I765-L781 HydrophobicContact CD1-CD2 4.4Å; I765-V784 HydrophobicContact CD1-CG2 4.29Å; I765-V792 HydrophobicContact CD1-CG1 3.52Å; I765-L796 HydrophobicContact CG2-CD2 3.92Å; I765-W824 HydrophobicContact CD1-CH2 4Å |
| 766 | V | 92.4 | Very high | 91.9 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 12% | 0.121 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 180 | 171.2 | 0 | 0 | 0 | 0 | 111 | V762 S763 A768 F769 R770 L796 Y800 | V762-V766 WeakPolarHBondContact O-CG2 3.44Å; V762-V766 PolarHBondContact O-N 3.43Å; S763-V766 PolarHBondContact O-N 2.84Å; V766-A768 PolarHBondContact O-N 3.05Å; V766-F769 PolarHBondContact O-N 3.14Å; V766-R770 HydrophobicContact CG1-CG 4.49Å; V766-R770 WeakPolarHBondContact O-CB 3.37Å; V766-R770 WeakPolarHBondContact O-CG 3.28Å; V766-R770 PolarHBondContact O-N 2.88Å; V766-L796 HydrophobicContact CG2-CD2 4.19Å; V766-Y800 HydrophobicContact CG1-CD2 4.45Å; V766-Y800 HydrophobicContact CG1-CE2 3.83Å; V766-Y800 HydrophobicContact CG2-CD2 4.24Å; V766-Y800 HydrophobicContact CG2-CE2 4.38Å |
| 767 | L | 91.8 | Very high | 91.8 | Very high | 25 Ų | 25 | 49.8 Ų | 49.8 | 13% | 0.131 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 176.6 | -69.3 | 170.7 | 0 | 0 | 0 | 112 | V747 I752 Q755 S763 I765 R770 L771 | V747-L767 HydrophobicContact CB-CD2 4.49Å; V747-L767 HydrophobicContact CG1-CD2 4.44Å; V747-L767 HydrophobicContact CG2-CD2 3.79Å; I752-L767 HydrophobicContact CD1-CB 4.4Å; I752-L767 HydrophobicContact CG1-CB 3.71Å; Q755-L767 HydrophobicContact CG-CD1 3.95Å; S763-L767 WeakPolarHBondContact O-CB 3.41Å; S763-L767 WeakPolarHBondContact O-CG 3.49Å; S763-L767 PolarHBondContact O-N 2.59Å; I765-L767 VanDerWaalsContact C-N 3.32Å; I765-L767 PolarHBondContact O-N 3.21Å; L767-R770 WeakPolarHBondContact O-CB 2.93Å; L767-R770 PolarHBondContact O-N 2.93Å; L767-L771 PolarHBondContact O-N 2.83Å |
| 768 | A | 92.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.4 | -39.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I752 A764 I765 V766 N772 K777 V780 | I752-A768 HydrophobicContact CD1-CB 4.36Å; I752-A768 HydrophobicContact CG2-CB 4.44Å; A764-A768 WeakPolarHBondContact O-CB 3.46Å; A764-A768 PolarHBondContact O-N 2.91Å; I765-A768 PolarHBondContact O-N 3.33Å; I765-A768 VanDerWaalsContact O-N 3.14Å; V766-A768 PolarHBondContact O-N 3.05Å; A768-N772 PolarHBondContact O-N 3.37Å; A768-K777 HydrophobicContact CB-CG 4.28Å; A768-V780 HydrophobicContact CB-CB 4.5Å; A768-V780 HydrophobicContact CB-CG2 4.17Å |
| 769 | F | 90.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.7 | -26.8 | 175.2 | -83.4 | -79.7 | 0 | 0 | 0 | 113.4 | I765 V766 K777 Y800 K803 L804 F807 | I765-F769 HydrophobicContact CG2-CD2 3.61Å; I765-F769 HydrophobicContact CG2-CE2 3.74Å; I765-F769 VanDerWaalsContact O-CD2 3.27Å; I765-F769 WeakPolarHBondContact O-CD2 3.43Å; I765-F769 PolarHBondContact O-N 3.27Å; V766-F769 PolarHBondContact O-N 3.14Å; F769-K777 HydrophobicContact CD1-CD 4.13Å; F769-K777 HydrophobicContact CE1-CD 3.87Å; F769-K777 HydrophobicContact CZ-CD 4.17Å; F769-K777 HydrophobicContact CZ-CG 4.46Å; F769-Y800 HydrophobicContact CB-CD1 3.84Å; F769-Y800 HydrophobicContact CB-CE1 4.24Å; F769-K803 HydrophobicContact CD1-CB 4.02Å; F769-K803 HydrophobicContact CE1-CB 4.11Å; F769-L804 HydrophobicContact CE1-CB 4.47Å; F769-L804 HydrophobicContact CE2-CB 4.22Å; F769-L804 HydrophobicContact CE2-CD1 3.71Å; F769-L804 HydrophobicContact CE2-CG 4.5Å; F769-L804 HydrophobicContact CZ-CB 3.9Å; F769-L804 HydrophobicContact CZ-CD1 3.59Å; F769-L804 HydrophobicContact CZ-CG 4.34Å; F769-F807 HydrophobicContact CE1-CB 4.05Å; F769-F807 HydrophobicContact CE1-CG 4.48Å; F769-F807 HydrophobicContact CZ-CB 4.03Å; F769-F807 HydrophobicContact CZ-CD1 4.32Å; F769-F807 HydrophobicContact CZ-CG 4.25Å |
| 770 | R | 92.1 | Very high | 91.6 | Very high | 62 Ų | 62 | 36.4 Ų | 36.4 | 23% | 0.234 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.7 | -48.7 | 170 | -81.2 | -176.9 | -176.4 | -158.8 | -1.4 | 111.7 | P740 Y741 D742 D744 V747 V766 L767 N772 Y800 | P740-R770 CarbonylContact C-O 3.51Å; P740-R770 WeakPolarHBondContact CA-O 3.19Å; Y741-R770 PolarHBondContact N-O 3.24Å; D742-R770 HydrophobicContact CB-CG 4.45Å; D742-R770 VanDerWaalsContact O-CB 3.31Å; D742-R770 WeakPolarHBondContact O-CB 3.2Å; D742-R770 WeakPolarHBondContact O-CG 3.32Å; D744-R770 IonicContact OD2-NH1 3.91Å; V747-R770 HydrophobicContact CG1-CB 4.15Å; V766-R770 HydrophobicContact CG1-CG 4.49Å; V766-R770 WeakPolarHBondContact O-CB 3.37Å; V766-R770 WeakPolarHBondContact O-CG 3.28Å; V766-R770 PolarHBondContact O-N 2.88Å; L767-R770 WeakPolarHBondContact O-CB 2.93Å; L767-R770 PolarHBondContact O-N 2.93Å; R770-N772 VanDerWaalsContact C-N 3.29Å; R770-N772 PolarHBondContact O-N 3.06Å; R770-Y800 HydrophobicContact CG-CE1 4.39Å; R770-Y800 PolarHBondContact NE-OH 3.49Å |
| 771 | L | 90.7 | Very high | 91.6 | Very high | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.4 | -29.9 | 176.6 | -168.8 | 65.5 | 0 | 0 | 0 | 112.6 | F738 L743 V747 P749 I752 L767 E773 L776 | F738-L771 HydrophobicContact CE2-CD1 3.82Å; F738-L771 HydrophobicContact CE2-CG 4.25Å; F738-L771 HydrophobicContact CZ-CD1 3.77Å; L743-L771 HydrophobicContact CD1-CD1 3.79Å; V747-L771 HydrophobicContact CG1-CB 3.97Å; V747-L771 HydrophobicContact CG1-CD1 4.4Å; P749-L771 HydrophobicContact CG-CD2 3.89Å; I752-L771 HydrophobicContact CD1-CB 4.31Å; I752-L771 HydrophobicContact CD1-CD2 3.85Å; L767-L771 PolarHBondContact O-N 2.83Å; L771-E773 VanDerWaalsContact C-N 3.35Å; L771-E773 HydrophobicContact CD2-CG 4.48Å; L771-E773 HydrophobicContact CG-CG 4.33Å; L771-E773 PolarHBondContact O-N 3.02Å; L771-L776 HydrophobicContact CD2-CD1 3.63Å |
| 772 | N | 89.8 | Confident | 91.5 | Very high | 51 Ų | 51 | 35.6 Ų | 35.6 | 27% | 0.273 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 22.9 | 172.6 | -164 | 38.8 | 0 | 0 | 0 | 115.9 | D739 A768 R770 K777 | D739-N772 WeakPolarHBondContact O-CB 2.99Å; D739-N772 PolarHBondContact O-ND2 3.37Å; A768-N772 PolarHBondContact O-N 3.37Å; R770-N772 VanDerWaalsContact C-N 3.29Å; R770-N772 PolarHBondContact O-N 3.06Å; N772-K777 PolarHBondContact O-NZ 2.84Å; N772-K777 WeakPolarHBondContact OD1-CE 3.23Å; N772-K777 PolarHBondContact OD1-NZ 2.94Å |
| 773 | E | 88.4 | Confident | 91.5 | Very high | 78 Ų | 78 | 35.8 Ų | 35.8 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | trans | -86.9 | 126.4 | 172.9 | -71 | -171 | 176.8 | 0 | 0 | 112.5 | F738 L771 A775 L776 K777 | F738-E773 HydrophobicContact CD2-CG 4.34Å; F738-E773 HydrophobicContact CE2-CG 4.31Å; L771-E773 VanDerWaalsContact C-N 3.35Å; L771-E773 HydrophobicContact CD2-CG 4.48Å; L771-E773 HydrophobicContact CG-CG 4.33Å; L771-E773 PolarHBondContact O-N 3.02Å; E773-A775 PolarHBondContact O-N 3.07Å; E773-L776 HydrophobicContact CB-CB 4.34Å; E773-L776 HydrophobicContact CB-CD1 4.2Å; E773-L776 HydrophobicContact CB-CG 4.47Å; E773-L776 PolarHBondContact O-N 3.23Å; E773-L776 VanDerWaalsContact OE2-CD1 3.25Å; E773-L776 WeakPolarHBondContact OE2-CD1 3.4Å; E773-K777 WeakPolarHBondContact O-CG 3.39Å; E773-K777 PolarHBondContact O-N 3.47Å | ||
| 774 | N | 87.6 | Confident | 91.6 | Very high | 98 Ų | 98 | 34.5 Ų | 34.5 | 52% | 0.524 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.4 | -38 | -172.9 | -67.5 | -22.1 | 0 | 0 | 0 | 113.7 | K777 Q778 F807 | N774-K777 PolarHBondContact O-N 3.48Å; N774-K777 PolarHBondContact OD1-NZ 3.37Å; N774-K777 VanDerWaalsContact OD1-NZ 3.12Å; N774-Q778 PolarHBondContact O-N 2.91Å; N774-F807 HydrophobicContact CB-CE2 4.21Å |
| 775 | A | 88.9 | Confident | 91.6 | Very high | 74 Ų | 74 | 37 Ų | 37 | 61% | 0.612 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -63.3 | -43 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E773 Q778 E779 | E773-A775 PolarHBondContact O-N 3.07Å; A775-Q778 PolarHBondContact O-N 3.07Å; A775-E779 WeakPolarHBondContact O-CB 3.5Å; A775-E779 PolarHBondContact O-N 3.45Å |
| 776 | L | 90.5 | Very high | 91.5 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.1 | -38.4 | 176.5 | -71.7 | 173 | 0 | 0 | 0 | 112.3 | P749 I752 L771 E773 Q778 E779 V780 | P749-L776 HydrophobicContact CB-CD1 3.77Å; P749-L776 HydrophobicContact CB-CD2 4.39Å; P749-L776 HydrophobicContact CG-CD1 3.8Å; I752-L776 HydrophobicContact CD1-CD1 4.41Å; L771-L776 HydrophobicContact CD2-CD1 3.63Å; E773-L776 HydrophobicContact CB-CB 4.34Å; E773-L776 HydrophobicContact CB-CD1 4.2Å; E773-L776 HydrophobicContact CB-CG 4.47Å; E773-L776 PolarHBondContact O-N 3.23Å; E773-L776 VanDerWaalsContact OE2-CD1 3.25Å; E773-L776 WeakPolarHBondContact OE2-CD1 3.4Å; L776-Q778 VanDerWaalsContact C-N 3.3Å; L776-Q778 PolarHBondContact O-N 3.14Å; L776-E779 PolarHBondContact O-N 2.69Å; L776-V780 WeakPolarHBondContact O-CB 3.49Å; L776-V780 WeakPolarHBondContact O-CG2 3.49Å; L776-V780 PolarHBondContact O-N 2.88Å |
| 777 | K | 91.6 | Very high | 91.4 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 4% | 0.043 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 172.9 | -70.5 | 171.7 | -162.7 | 159.9 | 0 | 111.6 | A768 F769 N772 E773 N774 L781 F807 | A768-K777 HydrophobicContact CB-CG 4.28Å; F769-K777 HydrophobicContact CD1-CD 4.13Å; F769-K777 HydrophobicContact CE1-CD 3.87Å; F769-K777 HydrophobicContact CZ-CD 4.17Å; F769-K777 HydrophobicContact CZ-CG 4.46Å; N772-K777 PolarHBondContact O-NZ 2.84Å; N772-K777 WeakPolarHBondContact OD1-CE 3.23Å; N772-K777 PolarHBondContact OD1-NZ 2.94Å; E773-K777 WeakPolarHBondContact O-CG 3.39Å; E773-K777 PolarHBondContact O-N 3.47Å; N774-K777 PolarHBondContact O-N 3.48Å; N774-K777 PolarHBondContact OD1-NZ 3.37Å; N774-K777 VanDerWaalsContact OD1-NZ 3.12Å; K777-L781 VanDerWaalsContact O-CB 3.31Å; K777-L781 WeakPolarHBondContact O-CB 3.39Å; K777-L781 WeakPolarHBondContact O-CG 3.26Å; K777-L781 PolarHBondContact O-N 3.03Å; K777-F807 HydrophobicContact CB-CD1 4.36Å; K777-F807 HydrophobicContact CB-CD2 4.38Å; K777-F807 HydrophobicContact CB-CE1 3.79Å; K777-F807 HydrophobicContact CB-CE2 3.8Å; K777-F807 HydrophobicContact CB-CZ 3.46Å; K777-F807 VanDerWaalsContact CB-CZ 3.46Å; K777-F807 HydrophobicContact CD-CD2 3.8Å; K777-F807 HydrophobicContact CD-CE2 3.84Å; K777-F807 HydrophobicContact CD-CG 4.25Å; K777-F807 HydrophobicContact CD-CZ 4.34Å |
| 778 | Q | 91.6 | Very high | 91.4 | Very high | 79 Ų | 79 | 51.4 Ų | 51.4 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -48.7 | 177.7 | -172.1 | 177 | -6.6 | 0 | 0 | 110.9 | N774 A775 L776 V780 L781 E782 F807 | N774-Q778 PolarHBondContact O-N 2.91Å; A775-Q778 PolarHBondContact O-N 3.07Å; L776-Q778 VanDerWaalsContact C-N 3.3Å; L776-Q778 PolarHBondContact O-N 3.14Å; Q778-V780 VanDerWaalsContact C-N 3.32Å; Q778-V780 PolarHBondContact O-N 2.81Å; Q778-L781 PolarHBondContact O-N 3.32Å; Q778-E782 HydrophobicContact CG-CG 4.26Å; Q778-E782 WeakPolarHBondContact CG-OE1 3.34Å; Q778-E782 PolarHBondContact NE2-OE1 2.96Å; Q778-E782 WeakPolarHBondContact O-CB 3.38Å; Q778-E782 WeakPolarHBondContact O-CG 3.26Å; Q778-E782 PolarHBondContact O-N 3.25Å; Q778-F807 HydrophobicContact CB-CZ 4.13Å |
| 779 | E | 92.5 | Very high | 91.5 | Very high | 80 Ų | 80 | 51.4 Ų | 51.4 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.4 | -47 | 176.5 | -174.4 | -175 | 155.4 | 0 | 0 | 111.4 | R753 A775 L776 A783 | R753-E779 IonicContact CZ-OE1 3.65Å; R753-E779 IonicContact CZ-OE2 2.9Å; R753-E779 IonicContact NE-OE1 2.84Å; R753-E779 PolarHBondContact NE-OE1 3.25Å; R753-E779 IonicContact NE-OE2 2.9Å; R753-E779 PolarHBondContact NE-OE2 2.89Å; R753-E779 IonicContact NH2-OE1 3.46Å; R753-E779 IonicContact NH2-OE2 3.7Å; R753-E779 PolarHBondContact NH2-OE2 3.06Å; A775-E779 WeakPolarHBondContact O-CB 3.5Å; A775-E779 PolarHBondContact O-N 3.45Å; L776-E779 PolarHBondContact O-N 2.69Å; E779-A783 WeakPolarHBondContact O-CB 3.46Å; E779-A783 PolarHBondContact O-N 2.87Å; E779-A783 VanDerWaalsContact O-N 3.16Å |
| 780 | V | 94.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.6 | -43.6 | -179.8 | 173 | 0 | 0 | 0 | 0 | 111.7 | I752 V756 A764 I765 A768 L776 Q778 A783 V784 | I752-V780 HydrophobicContact CG2-CG2 3.34Å; V756-V780 HydrophobicContact CG2-CG1 4.38Å; V756-V780 HydrophobicContact CG2-CG2 3.89Å; A764-V780 HydrophobicContact CB-CG1 3.85Å; I765-V780 HydrophobicContact CG1-CG1 3.67Å; A768-V780 HydrophobicContact CB-CB 4.5Å; A768-V780 HydrophobicContact CB-CG2 4.17Å; L776-V780 WeakPolarHBondContact O-CB 3.49Å; L776-V780 WeakPolarHBondContact O-CG2 3.49Å; L776-V780 PolarHBondContact O-N 2.88Å; Q778-V780 VanDerWaalsContact C-N 3.32Å; Q778-V780 PolarHBondContact O-N 2.81Å; V780-A783 PolarHBondContact O-N 3.43Å; V780-V784 WeakPolarHBondContact O-CG2 3.49Å |
| 781 | L | 92.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66 | -45.7 | -179.5 | -85.8 | 159.9 | 0 | 0 | 0 | 111.7 | I765 K777 Q778 A783 V784 L804 F807 F820 W824 | I765-L781 HydrophobicContact CD1-CD2 4.4Å; K777-L781 VanDerWaalsContact O-CB 3.31Å; K777-L781 WeakPolarHBondContact O-CB 3.39Å; K777-L781 WeakPolarHBondContact O-CG 3.26Å; K777-L781 PolarHBondContact O-N 3.03Å; Q778-L781 PolarHBondContact O-N 3.32Å; L781-A783 PolarHBondContact O-N 3.49Å; L781-V784 WeakPolarHBondContact O-CB 3.44Å; L781-V784 PolarHBondContact O-N 2.85Å; L781-V784 VanDerWaalsContact O-N 3.16Å; L781-L804 HydrophobicContact CD1-CD1 3.72Å; L781-L804 HydrophobicContact CD2-CD1 3.8Å; L781-L804 HydrophobicContact CG-CD1 4.34Å; L781-F807 HydrophobicContact CD1-CD1 3.34Å; L781-F807 HydrophobicContact CD1-CE1 3.3Å; L781-F820 VanDerWaalsContact O-CZ 3.25Å; L781-F820 WeakPolarHBondContact O-CZ 3.42Å; L781-W824 HydrophobicContact CD2-CD2 4.17Å; L781-W824 HydrophobicContact CD2-CE3 4.29Å; L781-W824 HydrophobicContact CD2-CH2 3.81Å; L781-W824 HydrophobicContact CD2-CZ2 3.65Å; L781-W824 HydrophobicContact CD2-CZ3 4.13Å |
| 782 | E | 92.4 | Very high | 91.6 | Very high | 76 Ų | 76 | 56 Ų | 56 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.3 | -21.1 | 179.7 | -68.9 | 176.5 | 177.2 | 0 | 0 | 112.8 | Q778 V784 H817 F820 Y821 | Q778-E782 HydrophobicContact CG-CG 4.26Å; Q778-E782 WeakPolarHBondContact CG-OE1 3.34Å; Q778-E782 PolarHBondContact NE2-OE1 2.96Å; Q778-E782 WeakPolarHBondContact O-CB 3.38Å; Q778-E782 WeakPolarHBondContact O-CG 3.26Å; Q778-E782 PolarHBondContact O-N 3.25Å; E782-V784 VanDerWaalsContact C-N 3.31Å; E782-H817 IonicContact OE1-CD2 3.58Å; E782-F820 HydrophobicContact CG-CE1 4.45Å; E782-Y821 WeakPolarHBondContact CG-OH 3.43Å; E782-Y821 PolarHBondContact OE1-OH 3.49Å |
| 783 | A | 93.6 | Very high | 91.7 | Very high | 42 Ų | 42 | 53.6 Ų | 53.6 | 35% | 0.347 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -73.4 | -19.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V756 W761 E779 V780 L781 P785 | V756-A783 HydrophobicContact CG1-CB 3.93Å; W761-A783 WeakPolarHBondContact CH2-O 3.14Å; W761-A783 HydrophobicContact CZ3-CB 4Å; W761-A783 WeakPolarHBondContact CZ3-O 3.33Å; E779-A783 WeakPolarHBondContact O-CB 3.46Å; E779-A783 PolarHBondContact O-N 2.87Å; E779-A783 VanDerWaalsContact O-N 3.16Å; V780-A783 PolarHBondContact O-N 3.43Å; L781-A783 PolarHBondContact O-N 3.49Å; A783-P785 WeakPolarHBondContact O-CD 3.38Å |
| 784 | V | 93.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -72.9 | 124.7 | -178.3 | -178.3 | 0 | 0 | 0 | 0 | 110.6 | W761 I765 V780 L781 E782 I789 V792 W824 | W761-V784 HydrophobicContact CB-CG2 4.1Å; W761-V784 HydrophobicContact CD2-CG2 4.21Å; W761-V784 HydrophobicContact CE3-CG2 3.93Å; W761-V784 HydrophobicContact CG-CG2 4.28Å; I765-V784 HydrophobicContact CD1-CG2 4.29Å; V780-V784 WeakPolarHBondContact O-CG2 3.49Å; L781-V784 WeakPolarHBondContact O-CB 3.44Å; L781-V784 PolarHBondContact O-N 2.85Å; L781-V784 VanDerWaalsContact O-N 3.16Å; E782-V784 VanDerWaalsContact C-N 3.31Å; V784-I789 HydrophobicContact CG1-CG1 4.35Å; V784-V792 HydrophobicContact CG1-CG2 4.4Å; V784-W824 HydrophobicContact CB-CZ2 3.94Å; V784-W824 HydrophobicContact CG1-CH2 4.39Å; V784-W824 HydrophobicContact CG1-CZ2 3.92Å; V784-W824 HydrophobicContact CG2-CZ2 4.15Å |
| 785 | P | 92.6 | Very high | 91.9 | Very high | 51 Ų | 51 | 50.4 Ų | 50.4 | 33% | 0.331 | 29% | 0.292 | S | S | . | . | trans | -63 | 141.2 | 173.8 | -21 | 32.7 | 0 | 0 | 0 | 112.1 | W761 A783 E787 Q788 | W761-P785 HydrophobicContact CZ2-CG 4.19Å; A783-P785 WeakPolarHBondContact O-CD 3.38Å; P785-E787 PolarHBondContact O-N 2.86Å; P785-E787 VanDerWaalsContact O-N 3.14Å; P785-Q788 HydrophobicContact CB-CG 4.47Å; P785-Q788 PolarHBondContact O-N 3.03Å | ||
| 786 | H | 89.9 | Confident | 91.9 | Very high | 126 Ų | 126 | 47.1 Ų | 47.1 | 58% | 0.583 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -56.4 | -34.5 | -176.6 | 74.6 | -78.5 | 0 | 0 | 0 | 114.2 | Q788 I789 | H786-Q788 PolarHBondContact O-N 3.06Å; H786-I789 HydrophobicContact CB-CD1 4.34Å; H786-I789 WeakPolarHBondContact O-CG1 3.44Å; H786-I789 PolarHBondContact O-N 3.17Å |
| 787 | E | 91.6 | Very high | 91.8 | Very high | 150 Ų | 150 | 49.6 Ų | 49.6 | 70% | 0.701 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -65 | -27.2 | 179.1 | -59.7 | -179.1 | 178.6 | 0 | 0 | 112.9 | P785 P790 | P785-E787 PolarHBondContact O-N 2.86Å; P785-E787 VanDerWaalsContact O-N 3.14Å; E787-P790 WeakPolarHBondContact O-CD 3.43Å |
| 788 | Q | 91.7 | Very high | 91.4 | Very high | 74 Ų | 74 | 52.1 Ų | 52.1 | 35% | 0.346 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -94 | -9.1 | -174 | -60 | -171.5 | 6.4 | 0 | 0 | 112.8 | P785 H786 V791 V792 | P785-Q788 HydrophobicContact CB-CG 4.47Å; P785-Q788 PolarHBondContact O-N 3.03Å; H786-Q788 PolarHBondContact O-N 3.06Å; Q788-V791 PolarHBondContact O-N 2.91Å; Q788-V791 VanDerWaalsContact O-N 3.15Å; Q788-V792 WeakPolarHBondContact O-CG2 3.48Å; Q788-V792 PolarHBondContact O-N 3.45Å |
| 789 | I | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -52.8 | -47.9 | 178.6 | -61.2 | 173.6 | 0 | 0 | 0 | 112.2 | V784 H786 V791 V792 C793 F820 T823 W824 N827 | V784-I789 HydrophobicContact CG1-CG1 4.35Å; H786-I789 HydrophobicContact CB-CD1 4.34Å; H786-I789 WeakPolarHBondContact O-CG1 3.44Å; H786-I789 PolarHBondContact O-N 3.17Å; I789-V791 VanDerWaalsContact C-N 3.29Å; I789-V791 PolarHBondContact O-N 3.39Å; I789-V792 PolarHBondContact O-N 2.97Å; I789-C793 WeakPolarHBondContact O-CB 3.25Å; I789-C793 PolarHBondContact O-N 3.26Å; I789-C793 PolarHBondContact O-SG 2.78Å; I789-F820 HydrophobicContact CD1-CD2 4.21Å; I789-F820 HydrophobicContact CD1-CE2 3.86Å; I789-T823 HydrophobicContact CD1-CG2 4.21Å; I789-W824 HydrophobicContact CB-CZ2 4.42Å; I789-W824 HydrophobicContact CD1-CD2 4.43Å; I789-W824 HydrophobicContact CD1-CG 4.35Å; I789-W824 HydrophobicContact CD1-CZ2 4.46Å; I789-W824 HydrophobicContact CG1-CD2 4.35Å; I789-W824 HydrophobicContact CG1-CZ2 3.81Å; I789-W824 HydrophobicContact CG2-CD2 3.62Å; I789-W824 HydrophobicContact CG2-CE3 3.77Å; I789-W824 HydrophobicContact CG2-CG 4.08Å; I789-W824 HydrophobicContact CG2-CH2 4.31Å; I789-W824 HydrophobicContact CG2-CZ2 4.2Å; I789-W824 HydrophobicContact CG2-CZ3 4.11Å; I789-N827 HydrophobicContact CG2-CB 4.4Å |
| 790 | P | 92.1 | Very high | 90.9 | Very high | 59 Ų | 59 | 48.6 Ų | 48.6 | 38% | 0.383 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | -178.6 | -21.8 | 34.2 | 0 | 0 | 0 | 112.7 | E787 G794 | E787-P790 WeakPolarHBondContact O-CD 3.43Å; P790-G794 PolarHBondContact O-N 2.82Å |
| 791 | V | 91.7 | Very high | 90.6 | Very high | 108 Ų | 108 | 48.6 Ų | 48.6 | 66% | 0.655 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -67.2 | -46.6 | 179.1 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | Q788 I789 G794 S795 | Q788-V791 PolarHBondContact O-N 2.91Å; Q788-V791 VanDerWaalsContact O-N 3.15Å; I789-V791 VanDerWaalsContact C-N 3.29Å; I789-V791 PolarHBondContact O-N 3.39Å; V791-G794 PolarHBondContact O-N 2.78Å; V791-S795 PolarHBondContact O-N 2.95Å; V791-S795 VanDerWaalsContact O-N 3.13Å; V791-S795 PolarHBondContact O-OG 2.9Å |
| 792 | V | 92.9 | Very high | 90.2 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.024 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 178 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | W761 V762 I765 V784 Q788 I789 G794 S795 L796 W824 | W761-V792 HydrophobicContact CB-CG2 3.87Å; W761-V792 HydrophobicContact CG-CG2 4.48Å; V762-V792 HydrophobicContact CG2-CG1 4.4Å; V762-V792 HydrophobicContact CG2-CG2 4.36Å; I765-V792 HydrophobicContact CD1-CG1 3.52Å; V784-V792 HydrophobicContact CG1-CG2 4.4Å; Q788-V792 WeakPolarHBondContact O-CG2 3.48Å; Q788-V792 PolarHBondContact O-N 3.45Å; I789-V792 PolarHBondContact O-N 2.97Å; V792-G794 VanDerWaalsContact C-N 3.29Å; V792-G794 PolarHBondContact O-N 3.02Å; V792-S795 PolarHBondContact O-N 3.14Å; V792-S795 VanDerWaalsContact O-N 3.14Å; V792-S795 PolarHBondContact O-OG 2.85Å; V792-L796 HydrophobicContact CG1-CD1 3.98Å; V792-L796 HydrophobicContact CG1-CG 4.45Å; V792-L796 WeakPolarHBondContact O-CG 3.38Å; V792-L796 PolarHBondContact O-N 2.97Å; V792-W824 HydrophobicContact CB-CH2 4.27Å; V792-W824 HydrophobicContact CG1-CH2 3.85Å; V792-W824 HydrophobicContact CG1-CZ3 4.21Å |
| 793 | C | 91 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.1 | -37.3 | 176.6 | -70.9 | 0 | 0 | 0 | 0 | 113.1 | I789 W824 N827 L828 L831 H832 | I789-C793 WeakPolarHBondContact O-CB 3.25Å; I789-C793 PolarHBondContact O-N 3.26Å; I789-C793 PolarHBondContact O-SG 2.78Å; C793-W824 VanDerWaalsContact SG-CE3 3.56Å; C793-W824 VanDerWaalsContact SG-CZ3 3.54Å; C793-N827 HydrophobicContact CB-CB 4.37Å; C793-L828 HydrophobicContact CB-CD2 4.14Å; C793-L831 HydrophobicContact CB-CD1 3.74Å; C793-H832 PolarHBondContact O-NE2 3.11Å |
| 794 | G | 89.6 | Confident | 89.8 | Confident | 49 Ų | 49 | 48.7 Ų | 48.7 | 51% | 0.505 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -70.7 | -30.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P790 V791 V792 | P790-G794 PolarHBondContact O-N 2.82Å; V791-G794 PolarHBondContact O-N 2.78Å; V792-G794 VanDerWaalsContact C-N 3.29Å; V792-G794 PolarHBondContact O-N 3.02Å |
| 795 | S | 90.2 | Very high | 89.6 | Confident | 59 Ų | 59 | 48.5 Ų | 48.5 | 41% | 0.413 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -89.7 | -10.8 | -177.6 | 65.7 | 0 | 0 | 0 | 0 | 115.1 | V762 V791 V792 | V762-S795 WeakPolarHBondContact CG2-OG 3.22Å; V791-S795 PolarHBondContact O-N 2.95Å; V791-S795 VanDerWaalsContact O-N 3.13Å; V791-S795 PolarHBondContact O-OG 2.9Å; V792-S795 PolarHBondContact O-N 3.14Å; V792-S795 VanDerWaalsContact O-N 3.14Å; V792-S795 PolarHBondContact O-OG 2.85Å |
| 796 | L | 90.1 | Very high | 89.3 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -72.6 | 135.7 | -176.3 | -88.8 | 159.1 | 0 | 0 | 0 | 112.3 | I765 V766 V792 V801 L804 | I765-L796 HydrophobicContact CG2-CD2 3.92Å; V766-L796 HydrophobicContact CG2-CD2 4.19Å; V792-L796 HydrophobicContact CG1-CD1 3.98Å; V792-L796 HydrophobicContact CG1-CG 4.45Å; V792-L796 WeakPolarHBondContact O-CG 3.38Å; V792-L796 PolarHBondContact O-N 2.97Å; L796-V801 HydrophobicContact CB-CG2 4.43Å; L796-L804 HydrophobicContact CD1-CD2 3.65Å |
| 797 | P | 88.6 | Confident | 89.3 | Confident | 61 Ų | 61 | 41.3 Ų | 41.3 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | trans | -66.8 | 142.9 | 173.5 | -18.3 | 30.1 | 0 | 0 | 0 | 112.7 | V799 Y800 V801 | P797-V799 PolarHBondContact O-N 2.81Å; P797-Y800 HydrophobicContact CB-CD2 4Å; P797-Y800 HydrophobicContact CB-CE2 4.49Å; P797-Y800 HydrophobicContact CG-CD2 4.05Å; P797-Y800 HydrophobicContact CG-CE2 4.4Å; P797-Y800 PolarHBondContact O-N 3.12Å; P797-V801 PolarHBondContact O-N 2.79Å | ||
| 798 | D | 83.4 | Confident | 89.3 | Confident | 63 Ų | 63 | 34.2 Ų | 34.2 | 34% | 0.337 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56.3 | -31.2 | -173.1 | -62.4 | -20.2 | 0 | 0 | 0 | 114 | Y800 V801 H832 K835 | D798-Y800 VanDerWaalsContact C-N 3.28Å; D798-Y800 PolarHBondContact O-N 3.08Å; D798-V801 PolarHBondContact O-N 3.34Å; D798-H832 IonicContact OD1-CE1 3.8Å; D798-H832 IonicContact OD1-ND1 3.61Å; D798-K835 IonicContact OD1-NZ 2.74Å; D798-K835 PolarHBondContact OD1-NZ 2.74Å; D798-K835 WeakPolarHBondContact OD2-CD 3.48Å; D798-K835 IonicContact OD2-NZ 3.02Å; D798-K835 PolarHBondContact OD2-NZ 3.07Å |
| 799 | V | 84.3 | Confident | 89.2 | Confident | 67 Ų | 67 | 30.7 Ų | 30.7 | 41% | 0.406 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.2 | -32 | 178.7 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | Y741 P797 | Y741-V799 HydrophobicContact CE1-CG1 4.21Å; P797-V799 PolarHBondContact O-N 2.81Å |
| 800 | Y | 87.6 | Confident | 88.8 | Confident | 19 Ų | 19 | 31.8 Ų | 31.8 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -89.9 | -18.1 | -179 | -61.4 | -71.7 | 0 | 0 | 0 | 112.8 | Y741 V766 F769 R770 P797 D798 E802 K803 L804 | Y741-Y800 HydrophobicContact CD1-CE1 4.22Å; Y741-Y800 HydrophobicContact CE1-CE1 4.49Å; V766-Y800 HydrophobicContact CG1-CD2 4.45Å; V766-Y800 HydrophobicContact CG1-CE2 3.83Å; V766-Y800 HydrophobicContact CG2-CD2 4.24Å; V766-Y800 HydrophobicContact CG2-CE2 4.38Å; F769-Y800 HydrophobicContact CB-CD1 3.84Å; F769-Y800 HydrophobicContact CB-CE1 4.24Å; R770-Y800 HydrophobicContact CG-CE1 4.39Å; R770-Y800 PolarHBondContact NE-OH 3.49Å; P797-Y800 HydrophobicContact CB-CD2 4Å; P797-Y800 HydrophobicContact CB-CE2 4.49Å; P797-Y800 HydrophobicContact CG-CD2 4.05Å; P797-Y800 HydrophobicContact CG-CE2 4.4Å; P797-Y800 PolarHBondContact O-N 3.12Å; D798-Y800 VanDerWaalsContact C-N 3.28Å; D798-Y800 PolarHBondContact O-N 3.08Å; Y800-E802 PolarHBondContact O-N 2.95Å; Y800-K803 PolarHBondContact O-N 3.48Å; Y800-L804 VanDerWaalsContact O-CB 3.28Å; Y800-L804 WeakPolarHBondContact O-CB 3.11Å; Y800-L804 PolarHBondContact O-N 3.45Å |
| 801 | V | 88.6 | Confident | 88.6 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.8 | -46.2 | 179.4 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | L796 P797 D798 K803 L804 L805 L828 H832 L836 | L796-V801 HydrophobicContact CB-CG2 4.43Å; P797-V801 PolarHBondContact O-N 2.79Å; D798-V801 PolarHBondContact O-N 3.34Å; V801-K803 PolarHBondContact O-N 3.33Å; V801-L804 PolarHBondContact O-N 3.18Å; V801-L805 WeakPolarHBondContact O-CB 3.49Å; V801-L805 PolarHBondContact O-N 2.89Å; V801-L828 HydrophobicContact CG1-CD2 4.36Å; V801-H832 HydrophobicContact CG1-CB 4Å; V801-L836 HydrophobicContact CG1-CD2 4.2Å |
| 802 | E | 85.2 | Confident | 88.4 | Confident | 58 Ų | 58 | 24.4 Ų | 24.4 | 27% | 0.271 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 178.1 | -179 | -178.3 | 160.9 | 0 | 0 | 111.8 | Y800 L805 G806 I843 | Y800-E802 PolarHBondContact O-N 2.95Å; E802-L805 PolarHBondContact O-N 3.44Å; E802-G806 PolarHBondContact O-N 2.91Å; E802-I843 HydrophobicContact CB-CD1 4.38Å; E802-I843 HydrophobicContact CG-CD1 4.17Å; E802-I843 HydrophobicContact CG-CG1 4.23Å |
| 803 | K | 86.8 | Confident | 87.9 | Confident | 64 Ų | 64 | 27 Ų | 27 | 28% | 0.278 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -68.6 | -39.3 | 179.9 | -64.4 | 178.8 | -177.4 | 172 | 0 | 112.1 | Y741 F769 Y800 V801 G806 F807 | Y741-K803 VanDerWaalsContact CE1-NZ 3.34Å; Y741-K803 VanDerWaalsContact CZ-NZ 3.27Å; F769-K803 HydrophobicContact CD1-CB 4.02Å; F769-K803 HydrophobicContact CE1-CB 4.11Å; Y800-K803 PolarHBondContact O-N 3.48Å; V801-K803 PolarHBondContact O-N 3.33Å; K803-G806 PolarHBondContact O-N 3.49Å; K803-F807 WeakPolarHBondContact O-CB 3.47Å; K803-F807 PolarHBondContact O-N 3.39Å |
| 804 | L | 90.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 175.6 | 176.2 | 60.4 | 0 | 0 | 0 | 110.4 | F769 L781 L796 Y800 V801 G806 F807 V808 W824 L828 | F769-L804 HydrophobicContact CE1-CB 4.47Å; F769-L804 HydrophobicContact CE2-CB 4.22Å; F769-L804 HydrophobicContact CE2-CD1 3.71Å; F769-L804 HydrophobicContact CE2-CG 4.5Å; F769-L804 HydrophobicContact CZ-CB 3.9Å; F769-L804 HydrophobicContact CZ-CD1 3.59Å; F769-L804 HydrophobicContact CZ-CG 4.34Å; L781-L804 HydrophobicContact CD1-CD1 3.72Å; L781-L804 HydrophobicContact CD2-CD1 3.8Å; L781-L804 HydrophobicContact CG-CD1 4.34Å; L796-L804 HydrophobicContact CD1-CD2 3.65Å; Y800-L804 VanDerWaalsContact O-CB 3.28Å; Y800-L804 WeakPolarHBondContact O-CB 3.11Å; Y800-L804 PolarHBondContact O-N 3.45Å; V801-L804 PolarHBondContact O-N 3.18Å; L804-G806 PolarHBondContact O-N 3Å; L804-F807 PolarHBondContact O-N 2.69Å; L804-V808 HydrophobicContact CD1-CG2 4.01Å; L804-V808 HydrophobicContact CG-CG2 4.37Å; L804-V808 WeakPolarHBondContact O-CB 3.5Å; L804-V808 VanDerWaalsContact O-CG2 3.29Å; L804-V808 WeakPolarHBondContact O-CG2 3.19Å; L804-V808 PolarHBondContact O-N 2.88Å; L804-W824 HydrophobicContact CD2-CE3 4.32Å; L804-W824 HydrophobicContact CD2-CZ3 4.15Å; L804-L828 HydrophobicContact CD2-CD1 3.81Å; L804-L828 HydrophobicContact CD2-CD2 3.85Å; L804-L828 HydrophobicContact CD2-CG 4.43Å; L804-L828 HydrophobicContact CG-CD1 3.79Å |
| 805 | L | 89.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.5 | -46.7 | 175.9 | -168.9 | 68.1 | 0 | 0 | 0 | 111.5 | V801 E802 F807 V808 A809 L828 L829 L847 L850 | V801-L805 WeakPolarHBondContact O-CB 3.49Å; V801-L805 PolarHBondContact O-N 2.89Å; E802-L805 PolarHBondContact O-N 3.44Å; L805-F807 VanDerWaalsContact C-N 3.3Å; L805-F807 PolarHBondContact O-N 2.76Å; L805-V808 PolarHBondContact O-N 2.83Å; L805-A809 WeakPolarHBondContact O-CB 3.26Å; L805-A809 PolarHBondContact O-N 2.77Å; L805-L828 HydrophobicContact CD1-CB 4.43Å; L805-L828 HydrophobicContact CD1-CD1 4.43Å; L805-L829 HydrophobicContact CD1-CD2 4.4Å; L805-L829 HydrophobicContact CD1-CG 4.41Å; L805-L829 HydrophobicContact CD2-CD2 4.16Å; L805-L847 HydrophobicContact CD2-CD2 4Å; L805-L850 HydrophobicContact CD1-CD2 3.98Å |
| 806 | G | 86.6 | Confident | 87.1 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 12% | 0.124 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.4 | -35.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E802 K803 L804 S810 | E802-G806 PolarHBondContact O-N 2.91Å; K803-G806 PolarHBondContact O-N 3.49Å; L804-G806 PolarHBondContact O-N 3Å; G806-S810 PolarHBondContact O-N 3Å; G806-S810 VanDerWaalsContact O-N 3.16Å |
| 807 | F | 89.4 | Confident | 87 | Confident | 14 Ų | 14 | 40.9 Ų | 40.9 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.6 | -45.7 | 175.3 | -177.6 | -101.1 | 0 | 0 | 0 | 112 | F769 N774 K777 Q778 L781 K803 L804 L805 A809 S810 C811 | F769-F807 HydrophobicContact CE1-CB 4.05Å; F769-F807 HydrophobicContact CE1-CG 4.48Å; F769-F807 HydrophobicContact CZ-CB 4.03Å; F769-F807 HydrophobicContact CZ-CD1 4.32Å; F769-F807 HydrophobicContact CZ-CG 4.25Å; N774-F807 HydrophobicContact CB-CE2 4.21Å; K777-F807 HydrophobicContact CB-CD1 4.36Å; K777-F807 HydrophobicContact CB-CD2 4.38Å; K777-F807 HydrophobicContact CB-CE1 3.79Å; K777-F807 HydrophobicContact CB-CE2 3.8Å; K777-F807 HydrophobicContact CB-CZ 3.46Å; K777-F807 VanDerWaalsContact CB-CZ 3.46Å; K777-F807 HydrophobicContact CD-CD2 3.8Å; K777-F807 HydrophobicContact CD-CE2 3.84Å; K777-F807 HydrophobicContact CD-CG 4.25Å; K777-F807 HydrophobicContact CD-CZ 4.34Å; Q778-F807 HydrophobicContact CB-CZ 4.13Å; L781-F807 HydrophobicContact CD1-CD1 3.34Å; L781-F807 HydrophobicContact CD1-CE1 3.3Å; K803-F807 WeakPolarHBondContact O-CB 3.47Å; K803-F807 PolarHBondContact O-N 3.39Å; L804-F807 PolarHBondContact O-N 2.69Å; L805-F807 VanDerWaalsContact C-N 3.3Å; L805-F807 PolarHBondContact O-N 2.76Å; F807-A809 VanDerWaalsContact C-N 3.3Å; F807-A809 PolarHBondContact O-N 2.95Å; F807-S810 PolarHBondContact O-N 3.31Å; F807-S810 VanDerWaalsContact O-N 3.13Å; F807-S810 PolarHBondContact O-OG 3.08Å; F807-C811 WeakPolarHBondContact CE1-SG 3.23Å; F807-C811 WeakPolarHBondContact CZ-SG 3.18Å; F807-C811 PolarHBondContact O-N 2.98Å; F807-C811 PolarHBondContact O-SG 3.47Å |
| 808 | V | 91.9 | Very high | 87 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 175.5 | 169.6 | 0 | 0 | 0 | 0 | 110.4 | L804 L805 S810 C811 L812 Y821 W824 A825 | L804-V808 HydrophobicContact CD1-CG2 4.01Å; L804-V808 HydrophobicContact CG-CG2 4.37Å; L804-V808 WeakPolarHBondContact O-CB 3.5Å; L804-V808 VanDerWaalsContact O-CG2 3.29Å; L804-V808 WeakPolarHBondContact O-CG2 3.19Å; L804-V808 PolarHBondContact O-N 2.88Å; L805-V808 PolarHBondContact O-N 2.83Å; V808-S810 PolarHBondContact O-N 2.82Å; V808-C811 PolarHBondContact O-N 3.21Å; V808-L812 WeakPolarHBondContact O-CB 3.31Å; V808-L812 PolarHBondContact O-N 2.79Å; V808-Y821 HydrophobicContact CG1-CD1 4.28Å; V808-W824 HydrophobicContact CG1-CB 4.37Å; V808-W824 HydrophobicContact CG2-CB 4.22Å; V808-A825 HydrophobicContact CG1-CB 4.16Å |
| 809 | A | 88.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58 | -46.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L805 F807 C811 L812 E813 L850 S853 | L805-A809 WeakPolarHBondContact O-CB 3.26Å; L805-A809 PolarHBondContact O-N 2.77Å; F807-A809 VanDerWaalsContact C-N 3.3Å; F807-A809 PolarHBondContact O-N 2.95Å; A809-C811 PolarHBondContact O-N 2.72Å; A809-L812 PolarHBondContact O-N 3.39Å; A809-E813 PolarHBondContact O-N 3.33Å; A809-L850 HydrophobicContact CB-CB 4.06Å; A809-L850 HydrophobicContact CB-CD1 4.21Å; A809-S853 PolarHBondContact O-OG 3.14Å |
| 810 | S | 85.6 | Confident | 87.8 | Confident | 23 Ų | 23 | 43.7 Ų | 43.7 | 16% | 0.161 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.7 | -32.4 | 177.8 | 70.2 | 0 | 0 | 0 | 0 | 114 | G806 F807 V808 | G806-S810 PolarHBondContact O-N 3Å; G806-S810 VanDerWaalsContact O-N 3.16Å; F807-S810 PolarHBondContact O-N 3.31Å; F807-S810 VanDerWaalsContact O-N 3.13Å; F807-S810 PolarHBondContact O-OG 3.08Å; V808-S810 PolarHBondContact O-N 2.82Å |
| 811 | C | 87.9 | Confident | 88 | Confident | 11 Ų | 11 | 42.8 Ų | 42.8 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -74.3 | -36.1 | 176.1 | -66.3 | 0 | 0 | 0 | 0 | 111.4 | F807 V808 A809 E813 K814 S815 Y821 | F807-C811 WeakPolarHBondContact CE1-SG 3.23Å; F807-C811 WeakPolarHBondContact CZ-SG 3.18Å; F807-C811 PolarHBondContact O-N 2.98Å; F807-C811 PolarHBondContact O-SG 3.47Å; V808-C811 PolarHBondContact O-N 3.21Å; A809-C811 PolarHBondContact O-N 2.72Å; C811-E813 PolarHBondContact O-N 3.02Å; C811-K814 PolarHBondContact O-N 3.43Å; C811-K814 VanDerWaalsContact O-N 3.15Å; C811-S815 WeakPolarHBondContact O-CB 3.45Å; C811-S815 PolarHBondContact O-N 3.4Å; C811-S815 PolarHBondContact O-OG 2.96Å; C811-Y821 HydrophobicContact CB-CD1 4.01Å; C811-Y821 HydrophobicContact CB-CE1 3.59Å; C811-Y821 HydrophobicContact CB-CE2 4.21Å; C811-Y821 HydrophobicContact CB-CG 4.47Å |
| 812 | L | 88.3 | Confident | 88.1 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.2 | -32.2 | 177.1 | -173.2 | 64.8 | 0 | 0 | 0 | 111.5 | V808 A809 L818 M822 L850 I854 H857 | V808-L812 WeakPolarHBondContact O-CB 3.31Å; V808-L812 PolarHBondContact O-N 2.79Å; A809-L812 PolarHBondContact O-N 3.39Å; L812-L818 HydrophobicContact CD1-CG 4.33Å; L812-M822 HydrophobicContact CD1-CG 4.24Å; L812-M822 HydrophobicContact CD1-SD 4.33Å; L812-M822 HydrophobicContact CD2-SD 3.87Å; L812-L850 HydrophobicContact CD2-CD1 4.26Å; L812-I854 HydrophobicContact CD2-CG1 3.75Å; L812-H857 PolarHBondContact O-NE2 2.68Å |
| 813 | E | 82.9 | Confident | 88.5 | Confident | 58 Ų | 58 | 45 Ų | 45 | 27% | 0.271 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -70.7 | -33.3 | 176.3 | -172.3 | 166.5 | -151.2 | 0 | 0 | 113.4 | A809 C811 R856 | A809-E813 PolarHBondContact O-N 3.33Å; C811-E813 PolarHBondContact O-N 3.02Å; E813-R856 IonicContact OE1-NH1 3.42Å; E813-R856 PolarHBondContact OE1-NH1 3.2Å |
| 814 | K | 82.4 | Confident | 88.8 | Confident | 177 Ų | 177 | 41.9 Ų | 41.9 | 77% | 0.77 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -100.2 | -30.8 | -173.3 | -64.7 | -178.4 | -178.9 | -179.7 | 0 | 114.5 | C811 | C811-K814 PolarHBondContact O-N 3.43Å; C811-K814 VanDerWaalsContact O-N 3.15Å |
| 815 | S | 84.6 | Confident | 88.9 | Confident | 23 Ų | 23 | 42 Ų | 42 | 16% | 0.161 | 22% | 0.22 | C | C | . | . | trans | -87.3 | 156.2 | -169.1 | 69 | 0 | 0 | 0 | 0 | 112.8 | C811 Y821 | C811-S815 WeakPolarHBondContact O-CB 3.45Å; C811-S815 PolarHBondContact O-N 3.4Å; C811-S815 PolarHBondContact O-OG 2.96Å; S815-Y821 WeakPolarHBondContact OG-CD2 3.48Å; S815-Y821 WeakPolarHBondContact OG-CE2 3.43Å | ||
| 816 | S | 85.2 | Confident | 89.1 | Confident | 107 Ų | 107 | 47.9 Ų | 47.9 | 75% | 0.748 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -86.4 | -13.7 | 170.2 | 54.7 | 0 | 0 | 0 | 0 | 113.1 | L818 | S816-L818 PolarHBondContact O-N 2.88Š|
| 817 | H | 89.8 | Confident | 89.4 | Confident | 99 Ų | 99 | 48.9 Ų | 48.9 | 46% | 0.458 | 25% | 0.249 | S | C | . | . | trans | -81.3 | 59.1 | -175.7 | -61.1 | -51.9 | 0 | 0 | 0 | 113 | E782 Q819 F820 Y821 | E782-H817 IonicContact OE1-CD2 3.58Å; H817-Q819 PolarHBondContact O-N 3.03Å; H817-F820 HydrophobicContact CB-CB 4.15Å; H817-F820 PolarHBondContact O-N 3.18Å; H817-Y821 HydrophobicContact CB-CD2 4.08Å; H817-Y821 HydrophobicContact CB-CE2 3.98Å; H817-Y821 VanDerWaalsContact O-CD2 3.26Å; H817-Y821 WeakPolarHBondContact O-CD2 3.48Å; H817-Y821 PolarHBondContact O-N 3.29Å | ||
| 818 | L | 88.3 | Confident | 89.5 | Confident | 51 Ų | 51 | 48.3 Ų | 48.3 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.7 | -51.4 | -171.5 | -172.2 | 148 | 0 | 0 | 0 | 113.3 | L812 S816 F820 Y821 M822 H857 L861 | L812-L818 HydrophobicContact CD1-CG 4.33Å; S816-L818 PolarHBondContact O-N 2.88Å; L818-F820 VanDerWaalsContact C-N 3.25Å; L818-F820 PolarHBondContact O-N 3.21Å; L818-Y821 PolarHBondContact O-N 3.17Å; L818-M822 HydrophobicContact CD2-CG 3.85Å; L818-M822 HydrophobicContact CG-CG 4.25Å; L818-M822 WeakPolarHBondContact O-CB 3.45Å; L818-M822 WeakPolarHBondContact O-CG 3.42Å; L818-M822 PolarHBondContact O-N 2.83Å; L818-H857 HydrophobicContact CD1-CB 3.63Å; L818-L861 HydrophobicContact CD1-CD1 3.85Å |
| 819 | Q | 90.8 | Very high | 89.4 | Confident | 159 Ų | 159 | 51.2 Ų | 51.2 | 74% | 0.743 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.3 | -38.5 | -178.5 | -177.1 | 178.2 | 0.5 | 0 | 0 | 112.2 | H817 T823 | H817-Q819 PolarHBondContact O-N 3.03Å; Q819-T823 WeakPolarHBondContact O-CB 3.23Å; Q819-T823 PolarHBondContact O-N 2.62Å; Q819-T823 PolarHBondContact O-OG1 3.07Å |
| 820 | F | 92.8 | Very high | 89.6 | Confident | 40 Ų | 40 | 58.2 Ų | 58.2 | 18% | 0.175 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.8 | -55.4 | -179.2 | -179 | -105.7 | 0 | 0 | 0 | 111.3 | L781 E782 I789 H817 L818 M822 T823 W824 | L781-F820 VanDerWaalsContact O-CZ 3.25Å; L781-F820 WeakPolarHBondContact O-CZ 3.42Å; E782-F820 HydrophobicContact CG-CE1 4.45Å; I789-F820 HydrophobicContact CD1-CD2 4.21Å; I789-F820 HydrophobicContact CD1-CE2 3.86Å; H817-F820 HydrophobicContact CB-CB 4.15Å; H817-F820 PolarHBondContact O-N 3.18Å; L818-F820 VanDerWaalsContact C-N 3.25Å; L818-F820 PolarHBondContact O-N 3.21Å; F820-M822 VanDerWaalsContact C-N 3.32Å; F820-M822 PolarHBondContact O-N 3.34Å; F820-T823 WeakPolarHBondContact O-CB 3.49Å; F820-T823 PolarHBondContact O-N 3.18Å; F820-W824 AromaticContact CD1-CD1 3.98Å; F820-W824 AromaticContact CE1-CD1 3.7Å; F820-W824 AromaticContact CE1-NE1 3.39Å; F820-W824 AromaticContact CE2-NE1 3.63Å; F820-W824 AromaticContact CZ-CD1 3.82Å; F820-W824 AromaticContact CZ-NE1 3.12Å; F820-W824 VanDerWaalsContact O-CD1 3.31Å; F820-W824 PolarHBondContact O-N 2.67Å; F820-W824 VanDerWaalsContact O-N 3.15Å |
| 821 | Y | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.1 | -31.4 | 179.8 | -71.2 | -68.3 | 0 | 0 | 0 | 112.8 | E782 V808 C811 S815 H817 L818 W824 A825 | E782-Y821 WeakPolarHBondContact CG-OH 3.43Å; E782-Y821 PolarHBondContact OE1-OH 3.49Å; V808-Y821 HydrophobicContact CG1-CD1 4.28Å; C811-Y821 HydrophobicContact CB-CD1 4.01Å; C811-Y821 HydrophobicContact CB-CE1 3.59Å; C811-Y821 HydrophobicContact CB-CE2 4.21Å; C811-Y821 HydrophobicContact CB-CG 4.47Å; S815-Y821 WeakPolarHBondContact OG-CD2 3.48Å; S815-Y821 WeakPolarHBondContact OG-CE2 3.43Å; H817-Y821 HydrophobicContact CB-CD2 4.08Å; H817-Y821 HydrophobicContact CB-CE2 3.98Å; H817-Y821 VanDerWaalsContact O-CD2 3.26Å; H817-Y821 WeakPolarHBondContact O-CD2 3.48Å; H817-Y821 PolarHBondContact O-N 3.29Å; L818-Y821 PolarHBondContact O-N 3.17Å; Y821-W824 WeakPolarHBondContact O-CB 3.46Å; Y821-W824 PolarHBondContact O-N 2.94Å; Y821-A825 PolarHBondContact O-N 3.24Å |
| 822 | M | 90.6 | Very high | 89.7 | Confident | 64 Ų | 64 | 61.6 Ų | 61.6 | 32% | 0.315 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 172.9 | -71.7 | -65.5 | -88.6 | 0 | 0 | 112.2 | L812 L818 F820 W824 A825 Q826 I854 | L812-M822 HydrophobicContact CD1-CG 4.24Å; L812-M822 HydrophobicContact CD1-SD 4.33Å; L812-M822 HydrophobicContact CD2-SD 3.87Å; L818-M822 HydrophobicContact CD2-CG 3.85Å; L818-M822 HydrophobicContact CG-CG 4.25Å; L818-M822 WeakPolarHBondContact O-CB 3.45Å; L818-M822 WeakPolarHBondContact O-CG 3.42Å; L818-M822 PolarHBondContact O-N 2.83Å; F820-M822 VanDerWaalsContact C-N 3.32Å; F820-M822 PolarHBondContact O-N 3.34Å; M822-W824 VanDerWaalsContact C-N 3.34Å; M822-W824 PolarHBondContact O-N 3.23Å; M822-A825 PolarHBondContact O-N 3.5Å; M822-Q826 WeakPolarHBondContact O-CB 3.46Å; M822-Q826 PolarHBondContact O-N 3.47Å; M822-I854 HydrophobicContact CE-CD1 4.1Å; M822-I854 HydrophobicContact CE-CG1 3.94Å; M822-I854 HydrophobicContact CE-CG2 3.97Å; M822-I854 HydrophobicContact SD-CD1 4.02Å; M822-I854 HydrophobicContact SD-CG1 3.72Å |
| 823 | T | 93.2 | Very high | 89.6 | Confident | 41 Ų | 41 | 62.9 Ų | 62.9 | 25% | 0.252 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 175.4 | -55.4 | 0 | 0 | 0 | 0 | 111 | I789 Q819 F820 N827 | I789-T823 HydrophobicContact CD1-CG2 4.21Å; Q819-T823 WeakPolarHBondContact O-CB 3.23Å; Q819-T823 PolarHBondContact O-N 2.62Å; Q819-T823 PolarHBondContact O-OG1 3.07Å; F820-T823 WeakPolarHBondContact O-CB 3.49Å; F820-T823 PolarHBondContact O-N 3.18Å; T823-N827 WeakPolarHBondContact O-CB 3.42Å; T823-N827 PolarHBondContact O-N 2.95Å; T823-N827 PolarHBondContact O-ND2 3.47Å; T823-N827 VanDerWaalsContact O-ND2 3.1Å |
| 824 | W | 93.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.1 | -52.2 | 172.3 | -83.9 | 100.6 | 0 | 0 | 0 | 112.2 | I765 L781 V784 I789 V792 C793 L804 V808 F820 Y821 M822 Q826 N827 L828 | I765-W824 HydrophobicContact CD1-CH2 4Å; L781-W824 HydrophobicContact CD2-CD2 4.17Å; L781-W824 HydrophobicContact CD2-CE3 4.29Å; L781-W824 HydrophobicContact CD2-CH2 3.81Å; L781-W824 HydrophobicContact CD2-CZ2 3.65Å; L781-W824 HydrophobicContact CD2-CZ3 4.13Å; V784-W824 HydrophobicContact CB-CZ2 3.94Å; V784-W824 HydrophobicContact CG1-CH2 4.39Å; V784-W824 HydrophobicContact CG1-CZ2 3.92Å; V784-W824 HydrophobicContact CG2-CZ2 4.15Å; I789-W824 HydrophobicContact CB-CZ2 4.42Å; I789-W824 HydrophobicContact CD1-CD2 4.43Å; I789-W824 HydrophobicContact CD1-CG 4.35Å; I789-W824 HydrophobicContact CD1-CZ2 4.46Å; I789-W824 HydrophobicContact CG1-CD2 4.35Å; I789-W824 HydrophobicContact CG1-CZ2 3.81Å; I789-W824 HydrophobicContact CG2-CD2 3.62Å; I789-W824 HydrophobicContact CG2-CE3 3.77Å; I789-W824 HydrophobicContact CG2-CG 4.08Å; I789-W824 HydrophobicContact CG2-CH2 4.31Å; I789-W824 HydrophobicContact CG2-CZ2 4.2Å; I789-W824 HydrophobicContact CG2-CZ3 4.11Å; V792-W824 HydrophobicContact CB-CH2 4.27Å; V792-W824 HydrophobicContact CG1-CH2 3.85Å; V792-W824 HydrophobicContact CG1-CZ3 4.21Å; C793-W824 VanDerWaalsContact SG-CE3 3.56Å; C793-W824 VanDerWaalsContact SG-CZ3 3.54Å; L804-W824 HydrophobicContact CD2-CE3 4.32Å; L804-W824 HydrophobicContact CD2-CZ3 4.15Å; V808-W824 HydrophobicContact CG1-CB 4.37Å; V808-W824 HydrophobicContact CG2-CB 4.22Å; F820-W824 AromaticContact CD1-CD1 3.98Å; F820-W824 AromaticContact CE1-CD1 3.7Å; F820-W824 AromaticContact CE1-NE1 3.39Å; F820-W824 AromaticContact CE2-NE1 3.63Å; F820-W824 AromaticContact CZ-CD1 3.82Å; F820-W824 AromaticContact CZ-NE1 3.12Å; F820-W824 VanDerWaalsContact O-CD1 3.31Å; F820-W824 PolarHBondContact O-N 2.67Å; F820-W824 VanDerWaalsContact O-N 3.15Å; Y821-W824 WeakPolarHBondContact O-CB 3.46Å; Y821-W824 PolarHBondContact O-N 2.94Å; M822-W824 VanDerWaalsContact C-N 3.34Å; M822-W824 PolarHBondContact O-N 3.23Å; W824-Q826 VanDerWaalsContact C-N 3.34Å; W824-Q826 PolarHBondContact O-N 2.79Å; W824-N827 PolarHBondContact O-N 2.79Å; W824-L828 WeakPolarHBondContact O-CB 3.39Å; W824-L828 VanDerWaalsContact O-CG 3.27Å; W824-L828 WeakPolarHBondContact O-CG 3.32Å; W824-L828 PolarHBondContact O-N 2.66Å |
| 825 | A | 92.6 | Very high | 89.7 | Confident | 3 Ų | 3 | 65 Ų | 65 | 3% | 0.025 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.4 | -44.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V808 Y821 M822 L828 L829 L850 | V808-A825 HydrophobicContact CG1-CB 4.16Å; Y821-A825 PolarHBondContact O-N 3.24Å; M822-A825 PolarHBondContact O-N 3.5Å; A825-L828 PolarHBondContact O-N 2.81Å; A825-L829 WeakPolarHBondContact O-CB 3.35Å; A825-L829 VanDerWaalsContact O-CG 3.27Å; A825-L829 WeakPolarHBondContact O-CG 3Å; A825-L829 PolarHBondContact O-N 3.07Å; A825-L850 HydrophobicContact CB-CD1 4.01Å; A825-L850 HydrophobicContact CB-CD2 4.24Å |
| 826 | Q | 93.1 | Very high | 89.7 | Confident | 122 Ų | 122 | 64.9 Ų | 64.9 | 57% | 0.57 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.8 | -50.5 | 177.3 | -176.7 | -178.8 | 4.6 | 0 | 0 | 111.6 | M822 W824 L828 L829 M830 | M822-Q826 WeakPolarHBondContact O-CB 3.46Å; M822-Q826 PolarHBondContact O-N 3.47Å; W824-Q826 VanDerWaalsContact C-N 3.34Å; W824-Q826 PolarHBondContact O-N 2.79Å; Q826-L828 PolarHBondContact O-N 2.83Å; Q826-L829 PolarHBondContact O-N 2.97Å; Q826-M830 HydrophobicContact CG-CG 4.28Å; Q826-M830 WeakPolarHBondContact O-CB 3.06Å; Q826-M830 WeakPolarHBondContact O-CG 3.39Å; Q826-M830 PolarHBondContact O-N 3.23Å |
| 827 | N | 92.9 | Very high | 89.6 | Confident | 34 Ų | 34 | 67.7 Ų | 67.7 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.8 | -39.7 | -178.1 | -74.2 | -35.1 | 0 | 0 | 0 | 112.3 | I789 C793 T823 W824 L831 | I789-N827 HydrophobicContact CG2-CB 4.4Å; C793-N827 HydrophobicContact CB-CB 4.37Å; T823-N827 WeakPolarHBondContact O-CB 3.42Å; T823-N827 PolarHBondContact O-N 2.95Å; T823-N827 PolarHBondContact O-ND2 3.47Å; T823-N827 VanDerWaalsContact O-ND2 3.1Å; W824-N827 PolarHBondContact O-N 2.79Å; N827-L831 WeakPolarHBondContact O-CB 3.43Å; N827-L831 WeakPolarHBondContact O-CG 3.32Å; N827-L831 PolarHBondContact O-N 3.45Å; N827-L831 VanDerWaalsContact O-N 3.07Å |
| 828 | L | 90.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 176.7 | -71.1 | 168.3 | 0 | 0 | 0 | 111.7 | C793 V801 L804 L805 W824 A825 Q826 H832 | C793-L828 HydrophobicContact CB-CD2 4.14Å; V801-L828 HydrophobicContact CG1-CD2 4.36Å; L804-L828 HydrophobicContact CD2-CD1 3.81Å; L804-L828 HydrophobicContact CD2-CD2 3.85Å; L804-L828 HydrophobicContact CD2-CG 4.43Å; L804-L828 HydrophobicContact CG-CD1 3.79Å; L805-L828 HydrophobicContact CD1-CB 4.43Å; L805-L828 HydrophobicContact CD1-CD1 4.43Å; W824-L828 WeakPolarHBondContact O-CB 3.39Å; W824-L828 VanDerWaalsContact O-CG 3.27Å; W824-L828 WeakPolarHBondContact O-CG 3.32Å; W824-L828 PolarHBondContact O-N 2.66Å; A825-L828 PolarHBondContact O-N 2.81Å; Q826-L828 PolarHBondContact O-N 2.83Å; L828-H832 WeakPolarHBondContact O-CB 3.32Å; L828-H832 PolarHBondContact O-N 2.71Å |
| 829 | L | 90.4 | Very high | 88.8 | Confident | 62 Ų | 62 | 73.7 Ų | 73.7 | 33% | 0.325 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.4 | -39.8 | 179.4 | -69.8 | 173.1 | 0 | 0 | 0 | 112.3 | L805 A825 Q826 G833 L836 L847 L850 | L805-L829 HydrophobicContact CD1-CD2 4.4Å; L805-L829 HydrophobicContact CD1-CG 4.41Å; L805-L829 HydrophobicContact CD2-CD2 4.16Å; A825-L829 WeakPolarHBondContact O-CB 3.35Å; A825-L829 VanDerWaalsContact O-CG 3.27Å; A825-L829 WeakPolarHBondContact O-CG 3Å; A825-L829 PolarHBondContact O-N 3.07Å; Q826-L829 PolarHBondContact O-N 2.97Å; L829-G833 WeakPolarHBondContact O-CA 3.5Å; L829-G833 PolarHBondContact O-N 3.23Å; L829-L836 HydrophobicContact CD2-CD1 4.31Å; L829-L847 HydrophobicContact CD2-CD2 3.86Å; L829-L850 HydrophobicContact CD1-CD2 3.87Å |
| 830 | M | 91.8 | Very high | 87.9 | Confident | 147 Ų | 147 | 69.7 Ų | 69.7 | 72% | 0.724 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -68.1 | -41.4 | -179.9 | -72.8 | -63.2 | -65.8 | 0 | 0 | 112.6 | Q826 | Q826-M830 HydrophobicContact CG-CG 4.28Å; Q826-M830 WeakPolarHBondContact O-CB 3.06Å; Q826-M830 WeakPolarHBondContact O-CG 3.39Å; Q826-M830 PolarHBondContact O-N 3.23Å |
| 831 | L | 89.5 | Confident | 86.9 | Confident | 95 Ų | 95 | 69.3 Ų | 69.3 | 50% | 0.497 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -79.7 | -41.2 | -177.8 | -68.5 | 172.6 | 0 | 0 | 0 | 112.8 | C793 N827 | C793-L831 HydrophobicContact CB-CD1 3.74Å; N827-L831 WeakPolarHBondContact O-CB 3.43Å; N827-L831 WeakPolarHBondContact O-CG 3.32Å; N827-L831 PolarHBondContact O-N 3.45Å; N827-L831 VanDerWaalsContact O-N 3.07Å |
| 832 | H | 88.1 | Confident | 86.1 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -103.6 | -0.6 | -172.6 | -65 | -75.1 | 0 | 0 | 0 | 114.2 | C793 D798 V801 L828 Q834 K835 L836 | C793-H832 PolarHBondContact O-NE2 3.11Å; D798-H832 IonicContact OD1-CE1 3.8Å; D798-H832 IonicContact OD1-ND1 3.61Å; V801-H832 HydrophobicContact CG1-CB 4Å; L828-H832 WeakPolarHBondContact O-CB 3.32Å; L828-H832 PolarHBondContact O-N 2.71Å; H832-Q834 VanDerWaalsContact C-N 3.35Å; H832-Q834 PolarHBondContact O-N 3.39Å; H832-Q834 VanDerWaalsContact O-N 3.17Å; H832-K835 WeakPolarHBondContact O-CB 3.31Å; H832-K835 PolarHBondContact O-N 2.7Å; H832-L836 HydrophobicContact CB-CD1 4.28Å; H832-L836 HydrophobicContact CB-CG 4.24Å; H832-L836 WeakPolarHBondContact O-CG 3.45Å; H832-L836 PolarHBondContact O-N 3.05Å |
| 833 | G | 85.9 | Confident | 85.7 | Confident | 29 Ų | 29 | 68.7 Ų | 68.7 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -52.5 | -41.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L829 K835 L836 K837 | L829-G833 WeakPolarHBondContact O-CA 3.5Å; L829-G833 PolarHBondContact O-N 3.23Å; G833-K835 VanDerWaalsContact C-N 3.35Å; G833-K835 PolarHBondContact O-N 2.95Å; G833-L836 PolarHBondContact O-N 3.23Å; G833-K837 PolarHBondContact O-N 2.68Å |
| 834 | Q | 84.9 | Confident | 85.2 | Confident | 176 Ų | 176 | 70.5 Ų | 70.5 | 82% | 0.822 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.7 | -40.3 | 177.2 | -70 | -174.8 | -8 | 0 | 0 | 112.3 | H832 K837 | H832-Q834 VanDerWaalsContact C-N 3.35Å; H832-Q834 PolarHBondContact O-N 3.39Å; H832-Q834 VanDerWaalsContact O-N 3.17Å; Q834-K837 PolarHBondContact O-N 3.04Å |
| 835 | K | 82.1 | Confident | 84.9 | Confident | 102 Ų | 102 | 70.9 Ų | 70.9 | 44% | 0.443 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.8 | -38.6 | 178.7 | -60.2 | -176.3 | -179.5 | -175.2 | 0 | 111.4 | D798 H832 G833 K837 N838 | D798-K835 IonicContact OD1-NZ 2.74Å; D798-K835 PolarHBondContact OD1-NZ 2.74Å; D798-K835 WeakPolarHBondContact OD2-CD 3.48Å; D798-K835 IonicContact OD2-NZ 3.02Å; D798-K835 PolarHBondContact OD2-NZ 3.07Å; H832-K835 WeakPolarHBondContact O-CB 3.31Å; H832-K835 PolarHBondContact O-N 2.7Å; G833-K835 VanDerWaalsContact C-N 3.35Å; G833-K835 PolarHBondContact O-N 2.95Å; K835-K837 VanDerWaalsContact C-N 3.32Å; K835-K837 PolarHBondContact O-N 3.39Å; K835-N838 PolarHBondContact O-N 2.69Å |
| 836 | L | 83.8 | Confident | 84.5 | Confident | 21 Ų | 21 | 72 Ų | 72 | 11% | 0.11 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.3 | -34.8 | 177.7 | -62.1 | 175.9 | 0 | 0 | 0 | 111.7 | V801 L829 H832 G833 N838 R839 S840 I843 | V801-L836 HydrophobicContact CG1-CD2 4.2Å; L829-L836 HydrophobicContact CD2-CD1 4.31Å; H832-L836 HydrophobicContact CB-CD1 4.28Å; H832-L836 HydrophobicContact CB-CG 4.24Å; H832-L836 WeakPolarHBondContact O-CG 3.45Å; H832-L836 PolarHBondContact O-N 3.05Å; G833-L836 PolarHBondContact O-N 3.23Å; L836-N838 VanDerWaalsContact C-N 3.27Å; L836-N838 PolarHBondContact O-N 2.85Å; L836-R839 CarbonylContact O-C 3.58Å; L836-R839 VanDerWaalsContact O-C 3.32Å; L836-R839 PolarHBondContact O-N 2.84Å; L836-S840 PolarHBondContact O-N 3.39Å; L836-I843 HydrophobicContact CB-CD1 3.99Å; L836-I843 HydrophobicContact CD1-CD1 4.11Å; L836-I843 HydrophobicContact CD2-CD1 3.15Å; L836-I843 HydrophobicContact CG-CD1 3.88Å |
| 837 | K | 83.3 | Confident | 84.3 | Confident | 167 Ų | 167 | 69 Ų | 69 | 73% | 0.726 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.4 | -33.9 | 177.3 | -167 | 174.7 | -178.1 | 178.9 | 0 | 113 | G833 Q834 K835 R839 S840 | G833-K837 PolarHBondContact O-N 2.68Å; Q834-K837 PolarHBondContact O-N 3.04Å; K835-K837 VanDerWaalsContact C-N 3.32Å; K835-K837 PolarHBondContact O-N 3.39Å; K837-R839 PolarHBondContact O-N 3.37Å; K837-S840 PolarHBondContact O-N 2.88Å |
| 838 | N | 83.3 | Confident | 84.1 | Confident | 144 Ų | 144 | 69.3 Ų | 69.3 | 77% | 0.77 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -19.3 | 175.7 | -67.4 | -13.6 | 0 | 0 | 0 | 113 | K835 L836 | K835-N838 PolarHBondContact O-N 2.69Å; L836-N838 VanDerWaalsContact C-N 3.27Å; L836-N838 PolarHBondContact O-N 2.85Å |
| 839 | R | 77.8 | Confident | 83.9 | Confident | 131 Ų | 131 | 69.6 Ų | 69.6 | 49% | 0.494 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 36.3 | 178.1 | -60.8 | -176.9 | -177.7 | 172 | 2 | 111.4 | L836 K837 A841 S842 I843 | L836-R839 CarbonylContact O-C 3.58Å; L836-R839 VanDerWaalsContact O-C 3.32Å; L836-R839 PolarHBondContact O-N 2.84Å; K837-R839 PolarHBondContact O-N 3.37Å; R839-A841 VanDerWaalsContact C-N 3.27Å; R839-A841 PolarHBondContact O-N 2.64Å; R839-S842 PolarHBondContact O-N 2.98Å; R839-S842 PolarHBondContact O-OG 2.78Å; R839-I843 PolarHBondContact O-N 3.02Å |
| 840 | S | 72 | Confident | 83.9 | Confident | 75 Ų | 75 | 66.9 Ų | 66.9 | 52% | 0.524 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -54.5 | -40.1 | -172.8 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | L836 K837 I843 L844 | L836-S840 PolarHBondContact O-N 3.39Å; K837-S840 PolarHBondContact O-N 2.88Å; S840-I843 PolarHBondContact O-N 2.85Å; S840-L844 WeakPolarHBondContact O-CB 3.42Å; S840-L844 PolarHBondContact O-N 3.49Å |
| 841 | A | 72.1 | Confident | 83.8 | Confident | 32 Ų | 32 | 65.5 Ų | 65.5 | 26% | 0.264 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D556 R839 | D556-A841 VanDerWaalsContact OD1-CB 3.24Å; D556-A841 WeakPolarHBondContact OD1-CB 3.37Å; R839-A841 VanDerWaalsContact C-N 3.27Å; R839-A841 PolarHBondContact O-N 2.64Å |
| 842 | S | 75.8 | Confident | 83.8 | Confident | 48 Ų | 48 | 62.1 Ų | 62.1 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -76.1 | -28.7 | -179.3 | 68.1 | 0 | 0 | 0 | 0 | 112.5 | R839 P845 | R839-S842 PolarHBondContact O-N 2.98Å; R839-S842 PolarHBondContact O-OG 2.78Å; S842-P845 WeakPolarHBondContact O-CD 3.32Å |
| 843 | I | 82.1 | Confident | 83.8 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -91.4 | -17.7 | -173.7 | -147 | 155.8 | 0 | 0 | 0 | 113.8 | E802 L836 R839 S840 P845 T846 L847 | E802-I843 HydrophobicContact CB-CD1 4.38Å; E802-I843 HydrophobicContact CG-CD1 4.17Å; E802-I843 HydrophobicContact CG-CG1 4.23Å; L836-I843 HydrophobicContact CB-CD1 3.99Å; L836-I843 HydrophobicContact CD1-CD1 4.11Å; L836-I843 HydrophobicContact CD2-CD1 3.15Å; L836-I843 HydrophobicContact CG-CD1 3.88Å; R839-I843 PolarHBondContact O-N 3.02Å; S840-I843 PolarHBondContact O-N 2.85Å; I843-P845 VanDerWaalsContact C-N 3.31Å; I843-T846 WeakPolarHBondContact CG1-OG1 3.21Å; I843-T846 PolarHBondContact O-N 2.86Å; I843-T846 PolarHBondContact O-OG1 2.56Å; I843-L847 HydrophobicContact CG2-CD1 3.85Å; I843-L847 HydrophobicContact CG2-CG 4.26Å; I843-L847 PolarHBondContact O-N 3.34Å |
| 844 | L | 84.1 | Confident | 83.9 | Confident | 78 Ų | 78 | 63 Ų | 63 | 41% | 0.408 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -49.1 | -44.8 | 179.5 | -173.6 | 69.7 | 0 | 0 | 0 | 113.2 | S840 T846 L847 Q848 | S840-L844 WeakPolarHBondContact O-CB 3.42Å; S840-L844 PolarHBondContact O-N 3.49Å; L844-T846 VanDerWaalsContact C-N 3.31Å; L844-T846 PolarHBondContact O-N 3.39Å; L844-L847 PolarHBondContact O-N 2.83Å; L844-Q848 WeakPolarHBondContact O-CG 3.48Å; L844-Q848 PolarHBondContact O-N 2.9Å |
| 845 | P | 85.7 | Confident | 84.1 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 178.8 | -20.5 | 33.6 | 0 | 0 | 0 | 112.6 | A617 P714 T715 S842 I843 Q848 S849 | A617-P845 HydrophobicContact CB-CB 4.28Å; A617-P845 HydrophobicContact CB-CG 3.76Å; P714-P845 WeakPolarHBondContact O-CA 3.42Å; T715-P845 WeakPolarHBondContact O-CB 3.37Å; S842-P845 WeakPolarHBondContact O-CD 3.32Å; I843-P845 VanDerWaalsContact C-N 3.31Å; P845-Q848 PolarHBondContact O-N 2.92Å; P845-S849 WeakPolarHBondContact O-CB 3.19Å; P845-S849 PolarHBondContact O-N 3.32Å |
| 846 | T | 85.3 | Confident | 84.2 | Confident | 26 Ų | 26 | 56.9 Ų | 56.9 | 16% | 0.16 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.9 | -38.1 | 177.9 | 70.4 | 0 | 0 | 0 | 0 | 111.9 | I843 L844 S849 L850 | I843-T846 WeakPolarHBondContact CG1-OG1 3.21Å; I843-T846 PolarHBondContact O-N 2.86Å; I843-T846 PolarHBondContact O-OG1 2.56Å; L844-T846 VanDerWaalsContact C-N 3.31Å; L844-T846 PolarHBondContact O-N 3.39Å; T846-S849 PolarHBondContact O-N 3.27Å; T846-L850 PolarHBondContact O-N 2.87Å |
| 847 | L | 88.4 | Confident | 84.4 | Confident | 60 Ų | 60 | 57.9 Ų | 57.9 | 31% | 0.314 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 175.3 | -69.8 | 177.5 | 0 | 0 | 0 | 111.3 | L805 L829 I843 L844 S849 L850 Q851 | L805-L847 HydrophobicContact CD2-CD2 4Å; L829-L847 HydrophobicContact CD2-CD2 3.86Å; I843-L847 HydrophobicContact CG2-CD1 3.85Å; I843-L847 HydrophobicContact CG2-CG 4.26Å; I843-L847 PolarHBondContact O-N 3.34Å; L844-L847 PolarHBondContact O-N 2.83Å; L847-S849 VanDerWaalsContact C-N 3.34Å; L847-L850 PolarHBondContact O-N 3.36Å; L847-Q851 WeakPolarHBondContact O-CB 3.41Å; L847-Q851 PolarHBondContact O-N 2.84Å |
| 848 | Q | 88.3 | Confident | 84.6 | Confident | 39 Ų | 39 | 55.5 Ų | 55.5 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 174.5 | -74.3 | 175.6 | -16.3 | 0 | 0 | 111.6 | P714 L844 P845 L850 Q851 K852 | P714-Q848 PolarHBondContact O-OE1 2.8Å; L844-Q848 WeakPolarHBondContact O-CG 3.48Å; L844-Q848 PolarHBondContact O-N 2.9Å; P845-Q848 PolarHBondContact O-N 2.92Å; Q848-L850 VanDerWaalsContact C-N 3.33Å; Q848-L850 PolarHBondContact O-N 2.47Å; Q848-Q851 PolarHBondContact O-N 3.12Å; Q848-K852 VanDerWaalsContact O-CB 3.24Å; Q848-K852 WeakPolarHBondContact O-CB 3.36Å; Q848-K852 PolarHBondContact O-N 2.98Å |
| 849 | S | 87.7 | Confident | 84.6 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 5% | 0.049 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 173.6 | -177.8 | 0 | 0 | 0 | 0 | 112.6 | P845 T846 L847 S853 | P845-S849 WeakPolarHBondContact O-CB 3.19Å; P845-S849 PolarHBondContact O-N 3.32Å; T846-S849 PolarHBondContact O-N 3.27Å; L847-S849 VanDerWaalsContact C-N 3.34Å; S849-S853 PolarHBondContact O-N 2.87Å; S849-S853 PolarHBondContact O-OG 2.86Å |
| 850 | L | 90.4 | Very high | 84.9 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.7 | -47.9 | 175.1 | -178.1 | 66.2 | 0 | 0 | 0 | 110.8 | L805 A809 L812 A825 L829 T846 L847 Q848 K852 S853 I854 | L805-L850 HydrophobicContact CD1-CD2 3.98Å; A809-L850 HydrophobicContact CB-CB 4.06Å; A809-L850 HydrophobicContact CB-CD1 4.21Å; L812-L850 HydrophobicContact CD2-CD1 4.26Å; A825-L850 HydrophobicContact CB-CD1 4.01Å; A825-L850 HydrophobicContact CB-CD2 4.24Å; L829-L850 HydrophobicContact CD1-CD2 3.87Å; T846-L850 PolarHBondContact O-N 2.87Å; L847-L850 PolarHBondContact O-N 3.36Å; Q848-L850 VanDerWaalsContact C-N 3.33Å; Q848-L850 PolarHBondContact O-N 2.47Å; L850-K852 VanDerWaalsContact C-N 3.33Å; L850-K852 PolarHBondContact O-N 2.8Å; L850-S853 PolarHBondContact O-N 2.81Å; L850-S853 VanDerWaalsContact O-N 3.16Å; L850-I854 HydrophobicContact CD1-CD1 4.03Å; L850-I854 HydrophobicContact CD1-CG1 4.36Å; L850-I854 HydrophobicContact CD2-CD1 4.4Å; L850-I854 HydrophobicContact CG-CD1 3.8Å; L850-I854 HydrophobicContact CG-CG1 4.44Å; L850-I854 WeakPolarHBondContact O-CG1 3.44Å; L850-I854 PolarHBondContact O-N 2.98Å |
| 851 | Q | 90 | Very high | 85.8 | Confident | 118 Ų | 118 | 49.1 Ų | 49.1 | 55% | 0.551 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -57.5 | -45.9 | 176.7 | -177.6 | -178.4 | -1.2 | 0 | 0 | 111.1 | L847 Q848 S853 I854 Q855 | L847-Q851 WeakPolarHBondContact O-CB 3.41Å; L847-Q851 PolarHBondContact O-N 2.84Å; Q848-Q851 PolarHBondContact O-N 3.12Å; Q851-S853 VanDerWaalsContact C-N 3.29Å; Q851-S853 PolarHBondContact O-N 3.4Å; Q851-I854 PolarHBondContact O-N 3.29Å; Q851-Q855 WeakPolarHBondContact O-CB 3.23Å; Q851-Q855 PolarHBondContact O-N 3.34Å |
| 852 | K | 88.6 | Confident | 86.7 | Confident | 24 Ų | 24 | 48.6 Ų | 48.6 | 10% | 0.104 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -51.6 | -49.5 | 174.8 | 177.6 | -180 | 175 | 171.9 | 0 | 111.3 | D386 G387 Q388 T404 T715 Q848 L850 R856 | D386-K852 WeakPolarHBondContact O-CB 3.39Å; D386-K852 WeakPolarHBondContact O-CD 3.41Å; D386-K852 WeakPolarHBondContact O-CG 3.49Å; G387-K852 WeakPolarHBondContact O-CE 3.32Å; G387-K852 PolarHBondContact O-NZ 3.46Å; Q388-K852 HydrophobicContact CG-CD 4.24Å; Q388-K852 HydrophobicContact CG-CG 3.7Å; Q388-K852 PolarHBondContact NE2-O 3.07Å; T404-K852 PolarHBondContact OG1-NZ 2.82Å; T715-K852 HydrophobicContact CG2-CD 4.16Å; Q848-K852 VanDerWaalsContact O-CB 3.24Å; Q848-K852 WeakPolarHBondContact O-CB 3.36Å; Q848-K852 PolarHBondContact O-N 2.98Å; L850-K852 VanDerWaalsContact C-N 3.33Å; L850-K852 PolarHBondContact O-N 2.8Å; K852-R856 WeakPolarHBondContact O-CB 3.5Å; K852-R856 PolarHBondContact O-N 3.44Å; K852-R856 VanDerWaalsContact O-N 3.11Å |
| 853 | S | 87.5 | Confident | 87.2 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.1 | -43.1 | -176.6 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | A809 S849 L850 Q851 H857 | A809-S853 PolarHBondContact O-OG 3.14Å; S849-S853 PolarHBondContact O-N 2.87Å; S849-S853 PolarHBondContact O-OG 2.86Å; L850-S853 PolarHBondContact O-N 2.81Å; L850-S853 VanDerWaalsContact O-N 3.16Å; Q851-S853 VanDerWaalsContact C-N 3.29Å; Q851-S853 PolarHBondContact O-N 3.4Å; S853-H857 PolarHBondContact O-CD2 3.1Å; S853-H857 PolarHBondContact O-N 2.94Å |
| 854 | I | 89.6 | Confident | 87.7 | Confident | 55 Ų | 55 | 57.7 Ų | 57.7 | 28% | 0.282 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 177.3 | -66.7 | 174.3 | 0 | 0 | 0 | 110.6 | L812 M822 L850 Q851 R856 H857 F858 | L812-I854 HydrophobicContact CD2-CG1 3.75Å; M822-I854 HydrophobicContact CE-CD1 4.1Å; M822-I854 HydrophobicContact CE-CG1 3.94Å; M822-I854 HydrophobicContact CE-CG2 3.97Å; M822-I854 HydrophobicContact SD-CD1 4.02Å; M822-I854 HydrophobicContact SD-CG1 3.72Å; L850-I854 HydrophobicContact CD1-CD1 4.03Å; L850-I854 HydrophobicContact CD1-CG1 4.36Å; L850-I854 HydrophobicContact CD2-CD1 4.4Å; L850-I854 HydrophobicContact CG-CD1 3.8Å; L850-I854 HydrophobicContact CG-CG1 4.44Å; L850-I854 WeakPolarHBondContact O-CG1 3.44Å; L850-I854 PolarHBondContact O-N 2.98Å; Q851-I854 PolarHBondContact O-N 3.29Å; I854-R856 VanDerWaalsContact C-N 3.32Å; I854-R856 PolarHBondContact O-N 3.17Å; I854-H857 PolarHBondContact O-N 3.49Å; I854-F858 VanDerWaalsContact O-CB 3.3Å; I854-F858 WeakPolarHBondContact O-CB 3.38Å; I854-F858 PolarHBondContact O-N 3.4Å |
| 855 | Q | 87.7 | Confident | 88.1 | Confident | 67 Ų | 67 | 57.5 Ų | 57.5 | 31% | 0.313 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | -178.9 | -173.5 | 61.6 | 33.5 | 0 | 0 | 111.2 | Q851 H857 F858 D859 | Q851-Q855 WeakPolarHBondContact O-CB 3.23Å; Q851-Q855 PolarHBondContact O-N 3.34Å; Q855-H857 PolarHBondContact O-N 3Å; Q855-F858 PolarHBondContact O-N 3.1Å; Q855-D859 PolarHBondContact NE2-OD1 2.79Å; Q855-D859 PolarHBondContact NE2-OD2 2.87Å; Q855-D859 WeakPolarHBondContact O-CB 3.48Å; Q855-D859 PolarHBondContact O-N 3.05Å |
| 856 | R | 84.9 | Confident | 88.5 | Confident | 83 Ų | 83 | 60.7 Ų | 60.7 | 31% | 0.313 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57 | -48.4 | 176 | -179.4 | -179.2 | -179.8 | 165.4 | 2.7 | 112.2 | N405 E813 K852 I854 S860 | N405-R856 VanDerWaalsContact CG-NH1 3.34Å; N405-R856 PolarHBondContact ND2-NH2 2.84Å; N405-R856 VanDerWaalsContact ND2-NH2 3.18Å; N405-R856 PolarHBondContact OD1-NH1 3.39Å; E813-R856 IonicContact OE1-NH1 3.42Å; E813-R856 PolarHBondContact OE1-NH1 3.2Å; K852-R856 WeakPolarHBondContact O-CB 3.5Å; K852-R856 PolarHBondContact O-N 3.44Å; K852-R856 VanDerWaalsContact O-N 3.11Å; I854-R856 VanDerWaalsContact C-N 3.32Å; I854-R856 PolarHBondContact O-N 3.17Å; R856-S860 WeakPolarHBondContact O-CB 3.5Å; R856-S860 PolarHBondContact O-N 3.26Å; R856-S860 VanDerWaalsContact O-N 3.15Å; R856-S860 PolarHBondContact O-OG 2.77Å |
| 857 | H | 87.3 | Confident | 89 | Confident | 42 Ų | 42 | 65.5 Ų | 65.5 | 19% | 0.194 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.4 | -37.4 | 179 | -74.6 | -56.7 | 0 | 0 | 0 | 112.3 | L812 L818 S853 I854 Q855 S860 L861 | L812-H857 PolarHBondContact O-NE2 2.68Å; L818-H857 HydrophobicContact CD1-CB 3.63Å; S853-H857 PolarHBondContact O-CD2 3.1Å; S853-H857 PolarHBondContact O-N 2.94Å; I854-H857 PolarHBondContact O-N 3.49Å; Q855-H857 PolarHBondContact O-N 3Å; H857-S860 PolarHBondContact O-N 3.24Å; H857-L861 WeakPolarHBondContact O-CB 3.43Å; H857-L861 PolarHBondContact O-N 2.84Å |
| 858 | F | 87.9 | Confident | 89.3 | Confident | 117 Ų | 117 | 66.7 Ų | 66.7 | 51% | 0.513 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59 | -52.9 | 174.4 | -179.8 | -97.7 | 0 | 0 | 0 | 110.3 | I854 Q855 S860 L861 S862 | I854-F858 VanDerWaalsContact O-CB 3.3Å; I854-F858 WeakPolarHBondContact O-CB 3.38Å; I854-F858 PolarHBondContact O-N 3.4Å; Q855-F858 PolarHBondContact O-N 3.1Å; F858-S860 PolarHBondContact O-N 3.27Å; F858-L861 PolarHBondContact O-N 2.97Å; F858-S862 WeakPolarHBondContact O-CB 3.49Å; F858-S862 PolarHBondContact O-N 3.16Å; F858-S862 PolarHBondContact O-OG 2.88Å |
| 859 | D | 84.4 | Confident | 89.7 | Confident | 60 Ų | 60 | 68 Ų | 68 | 32% | 0.321 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.6 | -31.4 | -180 | -74.8 | -38.6 | 0 | 0 | 0 | 112.9 | Q855 | Q855-D859 PolarHBondContact NE2-OD1 2.79Å; Q855-D859 PolarHBondContact NE2-OD2 2.87Å; Q855-D859 WeakPolarHBondContact O-CB 3.48Å; Q855-D859 PolarHBondContact O-N 3.05Å |
| 860 | S | 84.1 | Confident | 90.2 | Very high | 66 Ų | 66 | 73.3 Ų | 73.3 | 46% | 0.462 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -76.7 | -41.6 | 178.4 | -56.4 | 0 | 0 | 0 | 0 | 112.8 | R856 H857 F858 L864 | R856-S860 WeakPolarHBondContact O-CB 3.5Å; R856-S860 PolarHBondContact O-N 3.26Å; R856-S860 VanDerWaalsContact O-N 3.15Å; R856-S860 PolarHBondContact O-OG 2.77Å; H857-S860 PolarHBondContact O-N 3.24Å; F858-S860 PolarHBondContact O-N 3.27Å; S860-L864 WeakPolarHBondContact O-CD1 3.37Å |
| 861 | L | 89.8 | Confident | 90.5 | Very high | 90 Ų | 90 | 76.5 Ų | 76.5 | 47% | 0.471 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -100.7 | -40 | -170.5 | -67.2 | 174.6 | 0 | 0 | 0 | 113.9 | L818 H857 F858 K863 L864 C865 | L818-L861 HydrophobicContact CD1-CD1 3.85Å; H857-L861 WeakPolarHBondContact O-CB 3.43Å; H857-L861 PolarHBondContact O-N 2.84Å; F858-L861 PolarHBondContact O-N 2.97Å; L861-K863 PolarHBondContact O-N 3.45Å; L861-L864 PolarHBondContact O-N 3.29Å; L861-C865 WeakPolarHBondContact O-CB 2.99Å; L861-C865 PolarHBondContact O-N 3.29Å; L861-C865 PolarHBondContact O-SG 3.43Å |
| 862 | S | 90.4 | Very high | 90.8 | Very high | 21 Ų | 21 | 76.2 Ų | 76.2 | 15% | 0.147 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.9 | -49.1 | -170.4 | 70.3 | 0 | 0 | 0 | 0 | 111.3 | F858 L864 C865 D866 | F858-S862 WeakPolarHBondContact O-CB 3.49Å; F858-S862 PolarHBondContact O-N 3.16Å; F858-S862 PolarHBondContact O-OG 2.88Å; S862-L864 VanDerWaalsContact C-N 3.31Å; S862-L864 PolarHBondContact O-N 2.62Å; S862-C865 PolarHBondContact O-N 2.97Å; S862-C865 VanDerWaalsContact O-N 3.14Å; S862-D866 WeakPolarHBondContact O-CB 3.37Å; S862-D866 PolarHBondContact O-N 2.66Å |
| 863 | K | 86.9 | Confident | 91.1 | Very high | 138 Ų | 138 | 82.5 Ų | 82.5 | 60% | 0.6 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -58.3 | -41.8 | 178.8 | -67 | 177.4 | -177.5 | 167.6 | 0 | 112.2 | L861 F867 | L861-K863 PolarHBondContact O-N 3.45Å; K863-F867 WeakPolarHBondContact O-CB 3.45Å; K863-F867 PolarHBondContact O-N 2.77Å |
| 864 | L | 92.7 | Very high | 91.5 | Very high | 105 Ų | 105 | 90 Ų | 90 | 55% | 0.55 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.8 | -42.7 | 177.6 | -67.8 | 177.2 | 0 | 0 | 0 | 111.6 | S860 L861 S862 N868 | S860-L864 WeakPolarHBondContact O-CD1 3.37Å; L861-L864 PolarHBondContact O-N 3.29Å; S862-L864 VanDerWaalsContact C-N 3.31Å; S862-L864 PolarHBondContact O-N 2.62Å; L864-N868 VanDerWaalsContact O-CB 3.28Å; L864-N868 WeakPolarHBondContact O-CB 3.46Å; L864-N868 PolarHBondContact O-N 3.27Å; L864-N868 PolarHBondContact O-ND2 3.39Å |
| 865 | C | 93.3 | Very high | 91.8 | Very high | 75 Ų | 75 | 90 Ų | 90 | 51% | 0.507 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 179.3 | -67.9 | 0 | 0 | 0 | 0 | 111.6 | L861 S862 N868 M869 | L861-C865 WeakPolarHBondContact O-CB 2.99Å; L861-C865 PolarHBondContact O-N 3.29Å; L861-C865 PolarHBondContact O-SG 3.43Å; S862-C865 PolarHBondContact O-N 2.97Å; S862-C865 VanDerWaalsContact O-N 3.14Å; C865-N868 PolarHBondContact O-N 3.07Å; C865-M869 VanDerWaalsContact O-CB 3.24Å; C865-M869 WeakPolarHBondContact O-CB 3.36Å; C865-M869 PolarHBondContact O-N 3.11Å |
| 866 | D | 94.3 | Very high | 92.1 | Very high | 75 Ų | 75 | 90 Ų | 90 | 40% | 0.401 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 178.2 | -73.7 | -21.5 | 0 | 0 | 0 | 110.8 | S862 N868 M869 F870 | S862-D866 WeakPolarHBondContact O-CB 3.37Å; S862-D866 PolarHBondContact O-N 2.66Å; D866-N868 PolarHBondContact O-N 3.49Å; D866-M869 PolarHBondContact O-N 2.77Å; D866-F870 HydrophobicContact CB-CD2 4.26Å; D866-F870 HydrophobicContact CB-CE2 3.93Å; D866-F870 WeakPolarHBondContact O-CB 3.46Å; D866-F870 WeakPolarHBondContact O-CD2 3.35Å; D866-F870 WeakPolarHBondContact O-CG 3.37Å; D866-F870 PolarHBondContact O-N 3.41Å |
| 867 | F | 94.6 | Very high | 92.5 | Very high | 127 Ų | 127 | 88.3 Ų | 88.3 | 56% | 0.557 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -57.2 | -48.2 | 176.2 | -180 | -104.8 | 0 | 0 | 0 | 111.9 | K863 F870 N871 | K863-F867 WeakPolarHBondContact O-CB 3.45Å; K863-F867 PolarHBondContact O-N 2.77Å; F867-F870 PolarHBondContact O-N 2.56Å; F867-N871 VanDerWaalsContact CD1-ND2 3.35Å; F867-N871 WeakPolarHBondContact CD1-ND2 3.42Å; F867-N871 WeakPolarHBondContact CE1-ND2 3.23Å; F867-N871 VanDerWaalsContact CE2-ND2 3.33Å; F867-N871 WeakPolarHBondContact CE2-ND2 3.4Å; F867-N871 WeakPolarHBondContact CZ-ND2 3.42Å; F867-N871 VanDerWaalsContact O-CB 3.31Å; F867-N871 WeakPolarHBondContact O-CB 3.14Å; F867-N871 VanDerWaalsContact O-CG 3.29Å; F867-N871 PolarHBondContact O-N 3.41Å; F867-N871 PolarHBondContact O-ND2 3.07Å |
| 868 | N | 96.2 | Very high | 92.8 | Very high | 86 Ų | 86 | 89.4 Ų | 89.4 | 46% | 0.46 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 178.2 | -71.9 | -20.5 | 0 | 0 | 0 | 111.7 | L864 C865 D866 N871 I872 | L864-N868 VanDerWaalsContact O-CB 3.28Å; L864-N868 WeakPolarHBondContact O-CB 3.46Å; L864-N868 PolarHBondContact O-N 3.27Å; L864-N868 PolarHBondContact O-ND2 3.39Å; C865-N868 PolarHBondContact O-N 3.07Å; D866-N868 PolarHBondContact O-N 3.49Å; N868-N871 PolarHBondContact O-N 3.26Å; N868-I872 WeakPolarHBondContact O-CB 3.5Å; N868-I872 WeakPolarHBondContact O-CD1 3.42Å; N868-I872 WeakPolarHBondContact O-CG1 3.4Å; N868-I872 PolarHBondContact O-N 3.13Å |
| 869 | M | 96.8 | Very high | 92.9 | Very high | 65 Ų | 65 | 87.2 Ų | 87.2 | 32% | 0.32 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61 | -48 | 178.4 | 179.9 | -178.5 | 61.1 | 0 | 0 | 111.3 | C865 D866 R873 | C865-M869 VanDerWaalsContact O-CB 3.24Å; C865-M869 WeakPolarHBondContact O-CB 3.36Å; C865-M869 PolarHBondContact O-N 3.11Å; D866-M869 PolarHBondContact O-N 2.77Å; M869-R873 WeakPolarHBondContact O-CB 3.35Å; M869-R873 VanDerWaalsContact O-CG 3.28Å; M869-R873 WeakPolarHBondContact O-CG 3.48Å; M869-R873 PolarHBondContact O-N 3.05Å; M869-R873 VanDerWaalsContact SD-CZ 3.57Å; M869-R873 PolarHBondContact SD-NH2 2.67Å; M869-R873 VanDerWaalsContact SD-NH2 3.39Å |
| 870 | F | 96.6 | Very high | 93 | Very high | 119 Ų | 119 | 91.1 Ų | 91.1 | 52% | 0.522 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 179.3 | -66.6 | -51.9 | 0 | 0 | 0 | 111.7 | D866 F867 R873 Y874 | D866-F870 HydrophobicContact CB-CD2 4.26Å; D866-F870 HydrophobicContact CB-CE2 3.93Å; D866-F870 WeakPolarHBondContact O-CB 3.46Å; D866-F870 WeakPolarHBondContact O-CD2 3.35Å; D866-F870 WeakPolarHBondContact O-CG 3.37Å; D866-F870 PolarHBondContact O-N 3.41Å; F867-F870 PolarHBondContact O-N 2.56Å; F870-R873 PolarHBondContact O-N 3.26Å; F870-Y874 VanDerWaalsContact O-CB 3.28Å; F870-Y874 WeakPolarHBondContact O-CB 3.04Å; F870-Y874 PolarHBondContact O-N 3.02Å |
| 871 | N | 96.5 | Very high | 92.9 | Very high | 72 Ų | 72 | 94.5 Ų | 94.5 | 39% | 0.385 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 176.5 | -78.7 | -29.2 | 0 | 0 | 0 | 112.8 | F867 N868 Y874 A875 | F867-N871 VanDerWaalsContact CD1-ND2 3.35Å; F867-N871 WeakPolarHBondContact CD1-ND2 3.42Å; F867-N871 WeakPolarHBondContact CE1-ND2 3.23Å; F867-N871 VanDerWaalsContact CE2-ND2 3.33Å; F867-N871 WeakPolarHBondContact CE2-ND2 3.4Å; F867-N871 WeakPolarHBondContact CZ-ND2 3.42Å; F867-N871 VanDerWaalsContact O-CB 3.31Å; F867-N871 WeakPolarHBondContact O-CB 3.14Å; F867-N871 VanDerWaalsContact O-CG 3.29Å; F867-N871 PolarHBondContact O-N 3.41Å; F867-N871 PolarHBondContact O-ND2 3.07Å; N868-N871 PolarHBondContact O-N 3.26Å; N871-Y874 PolarHBondContact O-N 3.34Å; N871-A875 WeakPolarHBondContact O-CB 3.13Å; N871-A875 PolarHBondContact O-N 2.89Å |
| 872 | I | 96.6 | Very high | 91.9 | Very high | 113 Ų | 113 | 97.6 Ų | 97.6 | 58% | 0.579 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.9 | -45.6 | 177.2 | -68.9 | 165.4 | 0 | 0 | 0 | 109.8 | N868 Y874 A875 V876 | N868-I872 WeakPolarHBondContact O-CB 3.5Å; N868-I872 WeakPolarHBondContact O-CD1 3.42Å; N868-I872 WeakPolarHBondContact O-CG1 3.4Å; N868-I872 PolarHBondContact O-N 3.13Å; I872-Y874 VanDerWaalsContact C-N 3.33Å; I872-Y874 PolarHBondContact O-N 2.82Å; I872-A875 PolarHBondContact O-N 3.48Å; I872-V876 HydrophobicContact CG2-CG2 4.45Å; I872-V876 WeakPolarHBondContact O-CB 3.43Å; I872-V876 VanDerWaalsContact O-CG2 3.24Å; I872-V876 WeakPolarHBondContact O-CG2 3.33Å; I872-V876 PolarHBondContact O-N 2.92Å |
| 873 | R | 96.3 | Very high | 90.5 | Very high | 156 Ų | 156 | 99.8 Ų | 99.8 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.3 | -41.9 | 177 | -75.1 | 177.9 | -179.4 | 179 | 3.3 | 112 | M869 F870 V876 A877 | M869-R873 WeakPolarHBondContact O-CB 3.35Å; M869-R873 VanDerWaalsContact O-CG 3.28Å; M869-R873 WeakPolarHBondContact O-CG 3.48Å; M869-R873 PolarHBondContact O-N 3.05Å; M869-R873 VanDerWaalsContact SD-CZ 3.57Å; M869-R873 PolarHBondContact SD-NH2 2.67Å; M869-R873 VanDerWaalsContact SD-NH2 3.39Å; F870-R873 PolarHBondContact O-N 3.26Å; R873-V876 PolarHBondContact O-N 3.11Å; R873-A877 WeakPolarHBondContact O-CB 3.44Å; R873-A877 PolarHBondContact O-N 2.95Å |
| 874 | Y | 95.8 | Very high | 89.2 | Confident | 157 Ų | 157 | 100 Ų | 100 | 62% | 0.616 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -46.9 | 176.7 | 179.8 | -106.2 | 0 | 0 | 0 | 111.8 | F870 N871 I872 V876 A877 L878 | F870-Y874 VanDerWaalsContact O-CB 3.28Å; F870-Y874 WeakPolarHBondContact O-CB 3.04Å; F870-Y874 PolarHBondContact O-N 3.02Å; N871-Y874 PolarHBondContact O-N 3.34Å; I872-Y874 VanDerWaalsContact C-N 3.33Å; I872-Y874 PolarHBondContact O-N 2.82Å; Y874-V876 VanDerWaalsContact C-N 3.31Å; Y874-V876 PolarHBondContact O-N 2.96Å; Y874-A877 PolarHBondContact O-N 3.42Å; Y874-A877 VanDerWaalsContact O-N 3.15Å; Y874-L878 WeakPolarHBondContact O-CB 2.99Å; Y874-L878 PolarHBondContact O-N 3.41Å |
| 875 | A | 94.6 | Very high | 87.2 | Confident | 57 Ų | 57 | 104.1 Ų | 104.1 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.7 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N871 I872 L878 S879 | N871-A875 WeakPolarHBondContact O-CB 3.13Å; N871-A875 PolarHBondContact O-N 2.89Å; I872-A875 PolarHBondContact O-N 3.48Å; A875-L878 PolarHBondContact O-N 3.46Å; A875-S879 WeakPolarHBondContact O-CB 3.34Å; A875-S879 PolarHBondContact O-N 2.94Å |
| 876 | V | 94.9 | Very high | 85.2 | Confident | 66 Ų | 66 | 111.4 Ų | 111.4 | 40% | 0.4 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.1 | -44.3 | 174.4 | 171.1 | 0 | 0 | 0 | 0 | 111 | I872 R873 Y874 S879 K880 | I872-V876 HydrophobicContact CG2-CG2 4.45Å; I872-V876 WeakPolarHBondContact O-CB 3.43Å; I872-V876 VanDerWaalsContact O-CG2 3.24Å; I872-V876 WeakPolarHBondContact O-CG2 3.33Å; I872-V876 PolarHBondContact O-N 2.92Å; R873-V876 PolarHBondContact O-N 3.11Å; Y874-V876 VanDerWaalsContact C-N 3.31Å; Y874-V876 PolarHBondContact O-N 2.96Å; V876-S879 PolarHBondContact O-N 3.48Å; V876-S879 PolarHBondContact O-OG 3.2Å; V876-K880 HydrophobicContact CG1-CD 4.4Å; V876-K880 WeakPolarHBondContact O-CG 3.37Å; V876-K880 PolarHBondContact O-N 3.17Å; V876-K880 VanDerWaalsContact O-N 3.1Å |
| 877 | A | 93.1 | Very high | 82.7 | Confident | 48 Ų | 48 | 113.7 Ų | 113.7 | 40% | 0.397 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.5 | -44.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R873 Y874 S879 K880 Q881 | R873-A877 WeakPolarHBondContact O-CB 3.44Å; R873-A877 PolarHBondContact O-N 2.95Å; Y874-A877 PolarHBondContact O-N 3.42Å; Y874-A877 VanDerWaalsContact O-N 3.15Å; A877-S879 VanDerWaalsContact C-N 3.34Å; A877-S879 PolarHBondContact O-N 2.86Å; A877-K880 PolarHBondContact O-N 3.26Å; A877-Q881 PolarHBondContact O-N 3.09Å |
| 878 | L | 92.4 | Very high | 80.2 | Confident | 64 Ų | 64 | 116.7 Ų | 116.7 | 34% | 0.335 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.3 | -41.6 | 176 | -168.8 | 81.8 | 0 | 0 | 0 | 111.6 | Y874 A875 K880 Q881 K882 | Y874-L878 WeakPolarHBondContact O-CB 2.99Å; Y874-L878 PolarHBondContact O-N 3.41Å; A875-L878 PolarHBondContact O-N 3.46Å; L878-K880 VanDerWaalsContact C-N 3.33Å; L878-K880 PolarHBondContact O-N 3.21Å; L878-Q881 PolarHBondContact O-N 2.83Å; L878-K882 PolarHBondContact O-N 2.84Å |
| 879 | S | 90.4 | Very high | 77.5 | Confident | 71 Ų | 71 | 122.4 Ų | 122.4 | 50% | 0.497 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62.8 | -40.1 | 177.3 | 76.6 | 0 | 0 | 0 | 0 | 112.1 | A875 V876 A877 K882 G883 | A875-S879 WeakPolarHBondContact O-CB 3.34Å; A875-S879 PolarHBondContact O-N 2.94Å; V876-S879 PolarHBondContact O-N 3.48Å; V876-S879 PolarHBondContact O-OG 3.2Å; A877-S879 VanDerWaalsContact C-N 3.34Å; A877-S879 PolarHBondContact O-N 2.86Å; S879-K882 PolarHBondContact O-N 3.26Å; S879-G883 PolarHBondContact O-N 3.1Å |
| 880 | K | 87.7 | Confident | 74.8 | Confident | 142 Ų | 142 | 128.3 Ų | 128.3 | 62% | 0.617 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.2 | -39.4 | 176.7 | -70.9 | 178.4 | 179.9 | -177.4 | 0 | 111.6 | V876 A877 L878 G883 L884 | V876-K880 HydrophobicContact CG1-CD 4.4Å; V876-K880 WeakPolarHBondContact O-CG 3.37Å; V876-K880 PolarHBondContact O-N 3.17Å; V876-K880 VanDerWaalsContact O-N 3.1Å; A877-K880 PolarHBondContact O-N 3.26Å; L878-K880 VanDerWaalsContact C-N 3.33Å; L878-K880 PolarHBondContact O-N 3.21Å; K880-G883 PolarHBondContact O-N 3.19Å; K880-L884 PolarHBondContact O-N 3.49Å |
| 881 | Q | 81 | Confident | 72.1 | Confident | 138 Ų | 138 | 131.8 Ų | 131.8 | 65% | 0.645 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.7 | -39.6 | 175.1 | -74.7 | -177.3 | -14.8 | 0 | 0 | 112.8 | A877 L878 G883 L884 | A877-Q881 PolarHBondContact O-N 3.09Å; L878-Q881 PolarHBondContact O-N 2.83Å; Q881-G883 VanDerWaalsContact C-N 3.28Å; Q881-G883 PolarHBondContact O-N 3.39Å; Q881-L884 CarbonylContact O-C 3.58Å; Q881-L884 WeakPolarHBondContact O-CB 3.14Å; Q881-L884 PolarHBondContact O-N 3.34Å; Q881-L884 VanDerWaalsContact O-N 3.1Å |
| 882 | K | 69 | Low | 69.2 | Low | 155 Ų | 155 | 137.7 Ų | 137.7 | 67% | 0.674 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -68 | -27.4 | 173.1 | -75.8 | -173.2 | 176.5 | -178.2 | 0 | 112.9 | L878 S879 L884 | L878-K882 PolarHBondContact O-N 2.84Å; S879-K882 PolarHBondContact O-N 3.26Å; K882-L884 PolarHBondContact O-N 2.81Å |
| 883 | G | 60.3 | Low | 66.2 | Low | 67 Ų | 67 | 141.2 Ų | 141.2 | 69% | 0.691 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -68.9 | -19.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S879 K880 Q881 K885 | S879-G883 PolarHBondContact O-N 3.1Å; K880-G883 PolarHBondContact O-N 3.19Å; Q881-G883 VanDerWaalsContact C-N 3.28Å; Q881-G883 PolarHBondContact O-N 3.39Å; G883-K885 VanDerWaalsContact C-N 3.32Å; G883-K885 PolarHBondContact O-N 2.81Å |
| 884 | L | 59.4 | Low | 64.1 | Low | 142 Ų | 142 | 138.7 Ų | 138.7 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | trans | -90.9 | 60.3 | 168.7 | -79.1 | 142.7 | 0 | 0 | 0 | 109.9 | K880 Q881 K882 R886 | K880-L884 PolarHBondContact O-N 3.49Å; Q881-L884 CarbonylContact O-C 3.58Å; Q881-L884 WeakPolarHBondContact O-CB 3.14Å; Q881-L884 PolarHBondContact O-N 3.34Å; Q881-L884 VanDerWaalsContact O-N 3.1Å; K882-L884 PolarHBondContact O-N 2.81Å; L884-R886 PolarHBondContact O-N 2.89Å | ||
| 885 | K | 51.9 | Low | 61.1 | Low | 192 Ų | 192 | 138.4 Ų | 138.4 | 84% | 0.835 | 71% | 0.707 | S | S | * | * | trans | -61 | 121.8 | 159.8 | -88.4 | -172.2 | 174.7 | -176 | 0 | 107.5 | G883 | G883-K885 VanDerWaalsContact C-N 3.32Å; G883-K885 PolarHBondContact O-N 2.81Å | ||
| 886 | R | 50.2 | Low | 58.2 | Low | 227 Ų | 227 | 143.4 Ų | 143.4 | 86% | 0.857 | 72% | 0.72 | S | S | * | * | trans | -36.6 | 131.8 | 169.6 | -81.9 | 173 | 166.8 | 168.4 | -4.9 | 109.9 | L884 M888 | L884-R886 PolarHBondContact O-N 2.89Å; R886-M888 PolarHBondContact O-N 3.1Å; R886-M888 VanDerWaalsContact O-N 3.12Å | ||
| 887 | P | 43.5 | Very low | 55.3 | Low | 123 Ų | 123 | 148.1 Ų | 148.1 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | trans | -58.6 | 122.7 | 166.6 | 25.7 | -30.3 | 0 | 0 | 0 | 107.2 | K889 | P887-K889 PolarHBondContact O-N 3.28Š| ||
| 888 | M | 40.6 | Very low | 52.3 | Low | 190 Ų | 190 | 151.9 Ų | 151.9 | 94% | 0.936 | 76% | 0.756 | S | S | * | * | trans | -50.4 | 113.5 | 172 | -83.5 | 162.5 | 156.2 | 0 | 0 | 107.8 | R886 | R886-M888 PolarHBondContact O-N 3.1Å; R886-M888 VanDerWaalsContact O-N 3.12Å | ||
| 889 | K | 40.6 | Very low | 49.4 | Very low | 206 Ų | 206 | 153.5 Ų | 153.5 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 128.7 | 155.7 | -93.2 | -175.5 | 172.2 | -175.2 | 0 | 105.9 | P887 | P887-K889 PolarHBondContact O-N 3.28Š|
| 890 | E | 38.7 | Very low | 46.8 | Very low | 190 Ų | 190 | 158.6 Ų | 158.6 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 147.6 | -178.8 | -69.7 | 166.9 | 150.6 | 0 | 0 | 112.2 | ||
| 891 | E | 41.6 | Very low | 44.1 | Very low | 191 Ų | 191 | 160.4 Ų | 160.4 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58 | 123.9 | 179.9 | -62.5 | 167.5 | 156 | 0 | 0 | 111.5 | ||
| 892 | E | 35.1 | Very low | 41.9 | Very low | 196 Ų | 196 | 163.3 Ų | 163.3 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -124 | 133 | 144.1 | -82.4 | -174.1 | 165.6 | 0 | 0 | 107.4 | ||||
| 893 | E | 34.1 | Very low | 40 | Very low | 187 Ų | 187 | 161.3 Ų | 161.3 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -68.3 | 168.9 | -167.4 | -96.3 | -167.4 | 169.7 | 0 | 0 | 115 | ||||
| 894 | P | 52.1 | Low | 38.8 | Very low | 103 Ų | 103 | 167.5 Ų | 167.5 | 67% | 0.669 | 83% | 0.832 | S | S | * | * | trans | -91.5 | 165.7 | -159 | 39 | -33.9 | 0 | 0 | 0 | 113 | ||||
| 895 | D | 31.1 | Very low | 37.4 | Very low | 151 Ų | 151 | 165 Ų | 165 | 81% | 0.807 | 83% | 0.832 | S | S | * | * | trans | 168.8 | 143.4 | 154.5 | -82.1 | -19.5 | 0 | 0 | 0 | 105.8 | ||||
| 896 | E | 34.6 | Very low | 36.4 | Very low | 162 Ų | 162 | 161.1 Ų | 161.1 | 76% | 0.757 | 83% | 0.829 | S | S | * | * | cis | -170.2 | 162.3 | -5.6 | -122.1 | -176.1 | 171.2 | 0 | 0 | 105.1 | ||||
| 897 | E | 33.8 | Very low | 35.5 | Very low | 166 Ų | 166 | 158.3 Ų | 158.3 | 78% | 0.776 | 83% | 0.83 | S | S | * | * | trans | 82.8 | 105.1 | 158.3 | -68 | -177.4 | 171.1 | 0 | 0 | 122.3 | ||||
| 898 | T | 31 | Very low | 35.1 | Very low | 126 Ų | 126 | 161.2 Ų | 161.2 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | 27 | 137.2 | 121.9 | 54.6 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 899 | S | 31.1 | Very low | 34.9 | Very low | 98 Ų | 98 | 160.9 Ų | 160.9 | 69% | 0.685 | 83% | 0.829 | S | S | * | * | cis | -178.4 | 145.4 | 47.6 | 48 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 900 | E | 34.8 | Very low | 34.6 | Very low | 179 Ų | 179 | 156 Ų | 156 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | trans | 64.9 | 143.2 | 136.5 | -65.2 | -178.3 | 164.1 | 0 | 0 | 123.9 | ||||
| 901 | E | 31.6 | Very low | 34.5 | Very low | 179 Ų | 179 | 153.7 Ų | 153.7 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | 89.7 | 87.4 | 161.5 | -52.5 | -159.2 | 156.9 | 0 | 0 | 119.1 | ||||
| 902 | M | 33.9 | Very low | 34 | Very low | 200 Ų | 200 | 153.7 Ų | 153.7 | 99% | 0.985 | 82% | 0.817 | S | S | * | * | trans | -97.4 | 109 | 150.3 | -77.1 | -110.5 | -64.1 | 0 | 0 | 108.5 | ||||
| 903 | S | 29.8 | Very low | 33.9 | Very low | 112 Ų | 112 | 152.9 Ų | 152.9 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -123 | 150.5 | 160.8 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 904 | E | 34.5 | Very low | 33.9 | Very low | 197 Ų | 197 | 155.7 Ų | 155.7 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | -56.4 | 142.8 | -166.8 | -64 | 163 | 135.1 | 0 | 0 | 115.2 | ||||
| 905 | A | 30.9 | Very low | 33 | Very low | 90 Ų | 90 | 158.4 Ų | 158.4 | 74% | 0.744 | 84% | 0.843 | S | S | * | * | trans | -147.5 | 104.5 | 155 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 906 | S | 30.4 | Very low | 33.1 | Very low | 111 Ų | 111 | 158.7 Ų | 158.7 | 78% | 0.776 | 85% | 0.845 | S | S | * | * | trans | 10.5 | 118.4 | 143.3 | 54.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 907 | L | 32.7 | Very low | 33 | Very low | 167 Ų | 167 | 158.6 Ų | 158.6 | 87% | 0.874 | 85% | 0.85 | S | S | * | * | trans | -93.5 | 97.5 | 156.8 | -79.2 | 159.6 | 0 | 0 | 0 | 109.2 | ||||
| 908 | E | 33.9 | Very low | 32.9 | Very low | 184 Ų | 184 | 158.1 Ų | 158.1 | 86% | 0.86 | 85% | 0.854 | S | S | * | * | trans | -86.4 | 121.8 | 148.7 | -75.6 | -176.2 | 158.3 | 0 | 0 | 107.2 | ||||
| 909 | E | 36.6 | Very low | 33.1 | Very low | 183 Ų | 183 | 160.1 Ų | 160.1 | 86% | 0.855 | 86% | 0.86 | S | S | * | * | trans | -131.7 | 105.7 | 158.9 | -91.5 | -171.6 | 165.5 | 0 | 0 | 109.2 | ||||
| 910 | S | 34.6 | Very low | 33.2 | Very low | 103 Ų | 103 | 164.3 Ų | 164.3 | 72% | 0.72 | 87% | 0.871 | S | S | * | * | trans | -82.2 | 144.2 | 156.1 | 47.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 911 | D | 36.6 | Very low | 33.1 | Very low | 142 Ų | 142 | 163.2 Ų | 163.2 | 76% | 0.759 | 87% | 0.874 | S | S | * | * | trans | 60.8 | 115.7 | 154.6 | -68.9 | -20.8 | 0 | 0 | 0 | 120 | ||||
| 912 | M | 31.5 | Very low | 33.2 | Very low | 191 Ų | 191 | 162 Ų | 162 | 94% | 0.941 | 88% | 0.876 | S | S | * | * | -155.4 | 124.3 | 112.2 | -113.3 | -178.4 | -76 | 0 | 0 | 112.4 | |||||
| 913 | M | 32.9 | Very low | 33.1 | Very low | 179 Ų | 179 | 158.8 Ų | 158.8 | 88% | 0.882 | 87% | 0.867 | S | S | * | * | trans | -61.3 | 136.3 | 162.4 | -63.6 | -174.8 | -143.7 | 0 | 0 | 110.9 | ||||
| 914 | L | 33.3 | Very low | 33.4 | Very low | 247 Ų | 247 | 163.1 Ų | 163.1 | 100% | 1.293 | 88% | 0.875 | S | S | * | * | -162.5 | 0 | 124.2 | -107.7 | 162.2 | 0 | 0 | 0 | 109.8 |
Retrieved 914 of 914 residues in 619.2 ms
(Link to these results)