| 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 | 26.7 | Very low | 54.7 | Low | 82 Ų | 82 | 57.5 Ų | 57.5 | 40% | 0.404 | 31% | 0.308 | S | S | . | . | 0 | 140 | 0 | -75.3 | 178.8 | -79.7 | 0 | 0 | 107.8 | P421 S422 R485 Q486 | M1-P421 CarbonylContact O-C 3.16Å; M1-S422 PolarHBondContact O-OG 2.88Å; M1-R485 HydrophobicContact CB-CG 4.48Å; M1-R485 HydrophobicContact SD-CG 4.14Å; M1-R485 PolarHBondContact SD-NE 2.85Å; M1-Q486 CarbonylContact C-O 3.58Å; M1-Q486 WeakPolarHBondContact CA-O 3.29Å | |||
| 2 | S | 34.4 | Very low | 56.2 | Low | 35 Ų | 35 | 54.3 Ų | 54.3 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 114.7 | 175.4 | 53.5 | 0 | 0 | 0 | 0 | 109.1 | F4 S422 R485 Q486 | S2-F4 WeakPolarHBondContact O-CD2 3.4Å; S2-F4 WeakPolarHBondContact OG-CE2 3.47Å; S2-F4 WeakPolarHBondContact OG-CZ 3.29Å; S2-S422 WeakPolarHBondContact CA-OG 3.36Å; S2-R485 CarbonylContact O-C 3.46Å; S2-R485 WeakPolarHBondContact O-CA 3.45Å; S2-Q486 PolarHBondContact N-O 2.77Å; S2-Q486 PolarHBondContact O-N 3.22Å; S2-Q486 VanDerWaalsContact OG-C 3.31Å; S2-Q486 PolarHBondContact OG-O 3.22Å |
| 3 | V | 42.7 | Very low | 57.1 | Low | 26 Ų | 26 | 54.7 Ų | 54.7 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 131 | 167.8 | 171.3 | 0 | 0 | 0 | 0 | 108.7 | F365 S422 L424 L483 Q484 | V3-F365 HydrophobicContact CB-CE2 4.49Å; V3-F365 HydrophobicContact CG1-CE2 4.19Å; V3-F365 HydrophobicContact CG1-CZ 4.38Å; V3-F365 HydrophobicContact CG2-CE2 4.34Å; V3-S422 VanDerWaalsContact CG2-CB 3.49Å; V3-S422 PolarHBondContact N-OG 2.69Å; V3-L424 HydrophobicContact CG1-CD1 3.8Å; V3-L483 HydrophobicContact CG1-CB 3.79Å; V3-L483 HydrophobicContact CG1-CD1 4.13Å; V3-L483 HydrophobicContact CG1-CG 4.46Å; V3-Q484 CarbonylContact C-O 3.48Å; V3-Q484 WeakPolarHBondContact CA-O 3.31Å; V3-Q484 VanDerWaalsContact CG1-O 3.26Å; V3-Q484 WeakPolarHBondContact CG1-O 3.46Å |
| 4 | F | 43.5 | Very low | 58.1 | Low | 117 Ų | 117 | 50.9 Ų | 50.9 | 51% | 0.513 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 153.2 | 174.8 | -69.6 | -70.2 | 0 | 0 | 0 | 109.7 | S2 S6 L483 Q484 Q486 | S2-F4 WeakPolarHBondContact O-CD2 3.4Å; S2-F4 WeakPolarHBondContact OG-CE2 3.47Å; S2-F4 WeakPolarHBondContact OG-CZ 3.29Å; F4-S6 PolarHBondContact O-N 3.31Å; F4-L483 WeakPolarHBondContact O-CA 3.27Å; F4-Q484 PolarHBondContact N-O 2.88Å; F4-Q484 PolarHBondContact O-N 2.84Å; F4-Q486 HydrophobicContact CD2-CB 4.37Å; F4-Q486 HydrophobicContact CE2-CB 4.04Å |
| 5 | L | 52.5 | Low | 59.3 | Low | 72 Ų | 72 | 53 Ų | 53 | 38% | 0.377 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 122.2 | 163.8 | -78.1 | 147 | 0 | 0 | 0 | 108.5 | L424 L426 Y481 L483 | L5-L424 HydrophobicContact CD1-CD2 4.13Å; L5-L424 HydrophobicContact CD2-CD2 4.06Å; L5-L424 HydrophobicContact CG-CD1 4.15Å; L5-L424 HydrophobicContact CG-CD2 3.9Å; L5-L424 HydrophobicContact CG-CG 4.39Å; L5-L426 HydrophobicContact CD1-CD2 4.1Å; L5-L426 HydrophobicContact CD1-CG 4.4Å; L5-L426 HydrophobicContact CD2-CD2 3.78Å; L5-Y481 HydrophobicContact CD2-CD1 3.53Å; L5-Y481 HydrophobicContact CD2-CE1 4.32Å; L5-Y481 HydrophobicContact CD2-CG 3.96Å; L5-L483 HydrophobicContact CB-CD2 4.46Å; L5-L483 HydrophobicContact CD2-CD2 3.52Å; L5-L483 HydrophobicContact CG-CD2 3.85Å |
| 6 | S | 54.9 | Low | 60.7 | Low | 53 Ų | 53 | 49.7 Ų | 49.7 | 37% | 0.371 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -40.9 | 173.6 | 50.6 | 0 | 0 | 0 | 0 | 111.6 | F4 I482 L483 | F4-S6 PolarHBondContact O-N 3.31Å; S6-I482 PolarHBondContact N-O 3.24Å; S6-I482 VanDerWaalsContact OG-C 3.29Å; S6-I482 PolarHBondContact OG-O 2.61Å; S6-I482 VanDerWaalsContact OG-O 3.07Å; S6-L483 PolarHBondContact OG-N 3.1Å |
| 7 | E | 66.6 | Low | 62 | Low | 50 Ų | 50 | 49.4 Ų | 49.4 | 23% | 0.234 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 147.8 | -173.1 | -169.2 | 138.7 | -124.6 | 0 | 0 | 113.1 | K47 Y481 I482 | E7-K47 WeakPolarHBondContact OE1-CE 3.27Å; E7-K47 IonicContact OE1-NZ 2.65Å; E7-K47 PolarHBondContact OE1-NZ 3.23Å; E7-Y481 CarbonylContact O-C 3.4Å; E7-Y481 WeakPolarHBondContact O-CA 3.48Å; E7-I482 HydrophobicContact CB-CB 4.26Å; E7-I482 HydrophobicContact CB-CD1 4.22Å; E7-I482 HydrophobicContact CB-CG1 4.38Å; E7-I482 PolarHBondContact N-O 2.94Å; E7-I482 PolarHBondContact O-N 3.26Å |
| 8 | K | 71.6 | Confident | 63.2 | Low | 68 Ų | 68 | 48 Ų | 48 | 30% | 0.296 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 111.3 | 172.1 | 177.7 | -175.8 | -176 | 176.7 | 0 | 106.9 | G10 D430 Y481 | K8-G10 VanDerWaalsContact C-N 3.28Å; K8-G10 PolarHBondContact O-N 2.79Å; K8-D430 IonicContact NZ-OD1 3.71Å; K8-D430 PolarHBondContact NZ-OD1 2.95Å; K8-D430 VanDerWaalsContact NZ-OD1 3.12Å; K8-D430 IonicContact NZ-OD2 3.13Å; K8-D430 PolarHBondContact NZ-OD2 3Å; K8-Y481 HydrophobicContact CB-CD1 3.67Å; K8-Y481 HydrophobicContact CB-CE1 3.67Å; K8-Y481 HydrophobicContact CD-CD1 4.4Å; K8-Y481 HydrophobicContact CD-CE1 3.57Å; K8-Y481 WeakPolarHBondContact CE-OH 3.4Å; K8-Y481 HydrophobicContact CG-CD1 3.81Å; K8-Y481 HydrophobicContact CG-CE1 3.46Å; K8-Y481 VanDerWaalsContact CG-CE1 3.46Å |
| 9 | L | 72.3 | Confident | 64.6 | Low | 37 Ų | 37 | 46.1 Ų | 46.1 | 19% | 0.194 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | -28.9 | -175.5 | -74.6 | -179.4 | 0 | 0 | 0 | 113.2 | F12 L28 I30 S44 L46 V480 I482 | L9-F12 HydrophobicContact CB-CE2 4.43Å; L9-F12 HydrophobicContact CB-CZ 4.31Å; L9-L28 HydrophobicContact CD1-CD2 3.7Å; L9-I30 HydrophobicContact CD1-CD1 4.01Å; L9-S44 VanDerWaalsContact CD2-OG 3.3Å; L9-S44 WeakPolarHBondContact CD2-OG 3.41Å; L9-L46 HydrophobicContact CD1-CD2 4.34Å; L9-L46 HydrophobicContact CD2-CD2 3.72Å; L9-L46 HydrophobicContact CG-CD2 4.46Å; L9-V480 HydrophobicContact CB-CB 4.34Å; L9-V480 HydrophobicContact CD1-CB 4.41Å; L9-V480 HydrophobicContact CD1-CG1 3.99Å; L9-V480 PolarHBondContact N-O 3.35Å; L9-I482 HydrophobicContact CD1-CD1 4.2Å; L9-I482 HydrophobicContact CD2-CD1 4.06Å; L9-I482 HydrophobicContact CG-CD1 3.95Å; L9-I482 HydrophobicContact CG-CG1 4.41Å |
| 10 | G | 66.4 | Low | 65.7 | Low | 23 Ų | 23 | 47.6 Ų | 47.6 | 24% | 0.237 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155 | -166.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K8 S479 | K8-G10 VanDerWaalsContact C-N 3.28Å; K8-G10 PolarHBondContact O-N 2.79Å; G10-S479 WeakPolarHBondContact O-CA 3.43Å; G10-S479 WeakPolarHBondContact O-CB 3.4Å |
| 11 | I | 69.9 | Low | 66.7 | Low | 70 Ų | 70 | 46.2 Ų | 46.2 | 36% | 0.359 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 100.3 | 175.9 | -56.1 | 176.4 | 0 | 0 | 0 | 107.3 | F433 K477 S478 | I11-F433 HydrophobicContact CD1-CE2 4.06Å; I11-F433 HydrophobicContact CD1-CZ 4.22Å; I11-K477 HydrophobicContact CG2-CB 3.66Å; I11-K477 HydrophobicContact CG2-CD 3.94Å; I11-K477 HydrophobicContact CG2-CG 3.92Å; I11-S478 CarbonylContact C-O 3.32Å; I11-S478 WeakPolarHBondContact CA-O 3.12Å |
| 12 | F | 72.5 | Confident | 69.6 | Low | 19 Ų | 19 | 42.3 Ų | 42.3 | 8% | 0.083 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 132.4 | -178.5 | -57.7 | -88.9 | 0 | 0 | 0 | 109.6 | L9 G14 I16 I30 V42 S478 V480 | L9-F12 HydrophobicContact CB-CE2 4.43Å; L9-F12 HydrophobicContact CB-CZ 4.31Å; F12-G14 PolarHBondContact O-N 3.13Å; F12-I16 HydrophobicContact CD2-CD1 4.22Å; F12-I30 HydrophobicContact CD1-CG2 4.36Å; F12-I30 HydrophobicContact CE1-CD1 3.95Å; F12-I30 HydrophobicContact CE1-CG2 4.36Å; F12-I30 HydrophobicContact CE2-CD1 4.09Å; F12-I30 HydrophobicContact CZ-CD1 3.49Å; F12-I30 VanDerWaalsContact CZ-CD1 3.49Å; F12-V42 HydrophobicContact CD1-CB 4.36Å; F12-V42 HydrophobicContact CD1-CG2 3.84Å; F12-V42 HydrophobicContact CE1-CB 3.81Å; F12-V42 HydrophobicContact CE1-CG1 4Å; F12-V42 HydrophobicContact CE1-CG2 3.74Å; F12-S478 PolarHBondContact N-O 3.43Å; F12-S478 PolarHBondContact O-N 2.83Å; F12-V480 HydrophobicContact CD2-CB 4.49Å; F12-V480 HydrophobicContact CD2-CG2 3.83Å; F12-V480 HydrophobicContact CE2-CB 3.81Å; F12-V480 HydrophobicContact CE2-CG2 3.55Å; F12-V480 HydrophobicContact CZ-CG2 4.44Å |
| 13 | T | 68 | Low | 71.7 | Confident | 59 Ų | 59 | 43.2 Ų | 43.2 | 36% | 0.362 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 124.8 | 171.7 | 47.6 | 0 | 0 | 0 | 0 | 109.5 | S32 V34 | T13-S32 PolarHBondContact O-OG 2.78Å; T13-V34 WeakPolarHBondContact O-CG2 3.5Å |
| 14 | G | 71.7 | Confident | 73.3 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 106.3 | 169.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F12 H33 T476 S478 | F12-G14 PolarHBondContact O-N 3.13Å; G14-H33 CarbonylContact C-O 3.51Å; G14-H33 WeakPolarHBondContact CA-O 3.44Å; G14-T476 CarbonylContact C-O 3.59Å; G14-T476 WeakPolarHBondContact CA-O 3.29Å; G14-T476 PolarHBondContact N-O 2.79Å; G14-S478 WeakPolarHBondContact O-CB 3.35Å; G14-S478 PolarHBondContact O-OG 3.37Å |
| 15 | K | 76 | Confident | 74.9 | Confident | 83 Ų | 83 | 44.8 Ų | 44.8 | 36% | 0.361 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 123.7 | 177 | -172.2 | -143.8 | 170.8 | -167.9 | 0 | 109.3 | I17 S32 H33 H444 V460 | K15-I17 WeakPolarHBondContact O-CG1 3.13Å; K15-S32 CarbonylContact O-C 3.6Å; K15-S32 WeakPolarHBondContact O-CA 3.4Å; K15-H33 PolarHBondContact N-O 3.5Å; K15-H33 VanDerWaalsContact N-O 3.09Å; K15-H33 PolarHBondContact O-N 3.17Å; K15-H444 WeakPolarHBondContact CE-NE2 3.22Å; K15-H444 PolarHBondContact NZ-CE1 3.32Å; K15-H444 PolarHBondContact NZ-NE2 3.06Å; K15-V460 HydrophobicContact CG-CG1 4.39Å |
| 16 | I | 81.9 | Confident | 76.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 144.2 | 173.6 | -57.4 | 168.5 | 0 | 0 | 0 | 110 | F12 I19 I30 A31 H444 L445 T458 S478 V480 | F12-I16 HydrophobicContact CD2-CD1 4.22Å; I16-I19 HydrophobicContact CG2-CD1 4.16Å; I16-I19 HydrophobicContact CG2-CG1 3.79Å; I16-I30 HydrophobicContact CD1-CG2 4.01Å; I16-I30 HydrophobicContact CG1-CG2 4.24Å; I16-I30 HydrophobicContact CG2-CG2 4.07Å; I16-A31 CarbonylContact C-O 3.53Å; I16-A31 WeakPolarHBondContact CA-O 3.43Å; I16-A31 WeakPolarHBondContact CG2-O 3.34Å; I16-H444 PolarHBondContact O-CE1 3.11Å; I16-H444 PolarHBondContact O-ND1 3.06Å; I16-L445 HydrophobicContact CG2-CD1 3.96Å; I16-T458 HydrophobicContact CB-CG2 4.1Å; I16-T458 HydrophobicContact CD1-CG2 3.72Å; I16-T458 HydrophobicContact CG2-CG2 3.75Å; I16-S478 PolarHBondContact N-OG 3.36Å; I16-V480 HydrophobicContact CD1-CG2 3.49Å; I16-V480 VanDerWaalsContact CD1-CG2 3.49Å |
| 17 | I | 82.4 | Confident | 77.6 | Confident | 45 Ų | 45 | 39.8 Ų | 39.8 | 23% | 0.231 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | -46.4 | -166.4 | -48.7 | 177 | 0 | 0 | 0 | 110.8 | K15 A31 H33 I61 P62 | K15-I17 WeakPolarHBondContact O-CG1 3.13Å; I17-A31 PolarHBondContact N-O 2.83Å; I17-H33 HydrophobicContact CD1-CB 3.84Å; I17-H33 HydrophobicContact CG1-CB 4.34Å; I17-I61 HydrophobicContact CD1-CG2 3.81Å; I17-P62 HydrophobicContact CD1-CG 3.98Å; I17-P62 WeakPolarHBondContact CD1-O 3.45Å |
| 18 | D | 84.6 | Confident | 78.6 | Confident | 24 Ų | 24 | 37.4 Ų | 37.4 | 13% | 0.128 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 146.1 | -178.5 | -170.1 | 2.9 | 0 | 0 | 0 | 108.6 | K20 A31 I65 | D18-K20 WeakPolarHBondContact OD1-CE 3.2Å; D18-K20 IonicContact OD1-NZ 2.6Å; D18-K20 PolarHBondContact OD1-NZ 3.43Å; D18-K20 IonicContact OD2-NZ 2.8Å; D18-K20 PolarHBondContact OD2-NZ 3.42Å; D18-A31 PolarHBondContact O-N 3.35Å; D18-I65 HydrophobicContact CB-CD1 4.46Å; D18-I65 HydrophobicContact CB-CG1 3.9Å; D18-I65 VanDerWaalsContact CG-CG1 3.49Å; D18-I65 VanDerWaalsContact OD2-CG1 3.23Å; D18-I65 WeakPolarHBondContact OD2-CG1 3.23Å; D18-I65 PolarHBondContact OD2-N 2.81Å |
| 19 | I | 88 | Confident | 79.4 | Confident | 12 Ų | 12 | 34.1 Ų | 34.1 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 129.2 | 175.8 | -73.6 | -156.3 | 0 | 0 | 0 | 108.3 | I16 L28 A29 I30 L445 A447 T458 V480 | I16-I19 HydrophobicContact CG2-CD1 4.16Å; I16-I19 HydrophobicContact CG2-CG1 3.79Å; I19-L28 HydrophobicContact CG2-CD1 3.45Å; I19-L28 VanDerWaalsContact CG2-CD1 3.45Å; I19-L28 HydrophobicContact CG2-CD2 4.31Å; I19-L28 HydrophobicContact CG2-CG 4.04Å; I19-A29 VanDerWaalsContact CA-O 3.3Å; I19-A29 WeakPolarHBondContact CA-O 3.43Å; I19-I30 HydrophobicContact CD1-CB 4.36Å; I19-I30 HydrophobicContact CD1-CG1 3.98Å; I19-I30 HydrophobicContact CD1-CG2 3.93Å; I19-I30 HydrophobicContact CG1-CB 4.41Å; I19-I30 HydrophobicContact CG1-CG1 4.35Å; I19-I30 HydrophobicContact CG1-CG2 4.14Å; I19-L445 HydrophobicContact CB-CD1 4.19Å; I19-L445 HydrophobicContact CG1-CD1 4.02Å; I19-A447 HydrophobicContact CG2-CB 3.99Å; I19-T458 HydrophobicContact CD1-CG2 3.23Å; I19-T458 HydrophobicContact CG1-CG2 3.91Å; I19-V480 HydrophobicContact CD1-CG1 4.11Å; I19-V480 HydrophobicContact CD1-CG2 3.89Å |
| 20 | K | 87.9 | Confident | 80.2 | Confident | 75 Ų | 75 | 32.4 Ų | 32.4 | 33% | 0.326 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 131.5 | 177.6 | -65.5 | -177.3 | 175.6 | 128.3 | 0 | 112.2 | D18 A29 I65 W67 | D18-K20 WeakPolarHBondContact OD1-CE 3.2Å; D18-K20 IonicContact OD1-NZ 2.6Å; D18-K20 PolarHBondContact OD1-NZ 3.43Å; D18-K20 IonicContact OD2-NZ 2.8Å; D18-K20 PolarHBondContact OD2-NZ 3.42Å; K20-A29 PolarHBondContact N-O 2.82Å; K20-A29 PolarHBondContact O-N 3.5Å; K20-I65 HydrophobicContact CB-CD1 4.36Å; K20-I65 HydrophobicContact CD-CG1 4.34Å; K20-I65 WeakPolarHBondContact CD-O 3.3Å; K20-I65 HydrophobicContact CG-CG1 4.43Å; K20-I65 PolarHBondContact NZ-O 3.43Å; K20-W67 PolarHBondContact O-NE1 3.39Å |
| 21 | W | 86.9 | Confident | 81.3 | Confident | 19 Ų | 19 | 31.4 Ų | 31.4 | 7% | 0.072 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 147.1 | 164.1 | -69.3 | 96.6 | 0 | 0 | 0 | 110.3 | L26 L28 L46 W67 A447 D449 K454 A456 | W21-L26 HydrophobicContact CE3-CD1 4.28Å; W21-L26 HydrophobicContact CH2-CD1 4.24Å; W21-L26 HydrophobicContact CZ3-CD1 3.57Å; W21-L26 HydrophobicContact CZ3-CG 4.03Å; W21-L28 HydrophobicContact CD2-CD1 3.7Å; W21-L28 HydrophobicContact CE3-CB 4.43Å; W21-L28 HydrophobicContact CE3-CD1 4.34Å; W21-L28 HydrophobicContact CG-CD1 3.8Å; W21-L28 HydrophobicContact CZ2-CD1 4.33Å; W21-L46 HydrophobicContact CE3-CD1 4.18Å; W21-L46 HydrophobicContact CH2-CD1 3.45Å; W21-L46 VanDerWaalsContact CH2-CD1 3.45Å; W21-L46 HydrophobicContact CZ3-CD1 3.18Å; W21-W67 VanDerWaalsContact C-CD1 3.49Å; W21-A447 PolarHBondContact NE1-O 3.35Å; W21-D449 HydrophobicContact CD2-CB 3.7Å; W21-D449 HydrophobicContact CE3-CB 3.81Å; W21-D449 HydrophobicContact CG-CB 4.22Å; W21-D449 HydrophobicContact CH2-CB 4.13Å; W21-D449 HydrophobicContact CZ2-CB 4.03Å; W21-D449 HydrophobicContact CZ3-CB 4Å; W21-K454 HydrophobicContact CH2-CB 3.69Å; W21-K454 HydrophobicContact CH2-CD 4.33Å; W21-K454 HydrophobicContact CZ2-CB 3.85Å; W21-K454 WeakPolarHBondContact CZ2-O 3.37Å; W21-A456 HydrophobicContact CZ2-CB 3.93Å |
| 22 | H | 87 | Confident | 82 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 131.8 | 168 | 178.7 | -95.4 | 0 | 0 | 0 | 109.6 | R24 I25 I27 W67 E71 | H22-R24 PolarHBondContact ND1-N 3.32Å; H22-R24 PolarHBondContact O-N 2.88Å; H22-I25 WeakPolarHBondContact ND1-CB 3.5Å; H22-I25 WeakPolarHBondContact ND1-CG1 3.33Å; H22-I25 PolarHBondContact ND1-N 3.25Å; H22-I25 VanDerWaalsContact O-O 3.11Å; H22-I27 HydrophobicContact CB-CD1 4Å; H22-I27 HydrophobicContact CB-CG1 3.46Å; H22-I27 VanDerWaalsContact CB-CG1 3.46Å; H22-I27 PolarHBondContact N-O 2.99Å; H22-W67 HydrophobicContact CB-CD2 3.92Å; H22-W67 HydrophobicContact CB-CE3 4.35Å; H22-W67 HydrophobicContact CB-CG 4.15Å; H22-W67 HydrophobicContact CB-CZ2 4.33Å; H22-W67 AromaticContact CD2-CD2 3.84Å; H22-W67 AromaticContact CD2-CE3 3.62Å; H22-E71 PolarHBondContact NE2-O 2.91Å |
| 23 | P | 79 | Confident | 82.6 | Confident | 54 Ų | 54 | 29.6 Ų | 29.6 | 35% | 0.351 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -0.2 | -166.5 | 27.5 | -37.6 | 0 | 0 | 0 | 116.2 | P69 | P23-P69 WeakPolarHBondContact CG-O 3.48Š|
| 24 | R | 76.2 | Confident | 83.2 | Confident | 138 Ų | 138 | 27.9 Ų | 27.9 | 52% | 0.521 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -142.6 | -6.5 | -176.3 | -72.2 | -172.6 | 171.5 | 176.2 | -1 | 115.8 | H22 Y70 | H22-R24 PolarHBondContact ND1-N 3.32Å; H22-R24 PolarHBondContact O-N 2.88Å; R24-Y70 VanDerWaalsContact NH1-CD1 3.32Å |
| 25 | I | 76.9 | Confident | 83.3 | Confident | 38 Ų | 38 | 29.9 Ų | 29.9 | 20% | 0.195 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 137 | -173.6 | -51.2 | 170 | 0 | 0 | 0 | 105.9 | H22 I27 Y51 | H22-I25 WeakPolarHBondContact ND1-CB 3.5Å; H22-I25 WeakPolarHBondContact ND1-CG1 3.33Å; H22-I25 PolarHBondContact ND1-N 3.25Å; H22-I25 VanDerWaalsContact O-O 3.11Å; I25-I27 HydrophobicContact CB-CG1 4.38Å; I25-I27 HydrophobicContact CG2-CG1 4.48Å; I25-I27 HydrophobicContact CG2-CG2 4.04Å; I25-I27 PolarHBondContact O-N 3.1Å; I25-Y51 HydrophobicContact CG2-CE2 4.41Å |
| 26 | L | 78.1 | Confident | 82.9 | Confident | 20 Ų | 20 | 35.1 Ų | 35.1 | 11% | 0.105 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 64.8 | -175.1 | -165.5 | 73.5 | 0 | 0 | 0 | 111.7 | W21 L46 V48 D449 Q452 K454 | W21-L26 HydrophobicContact CE3-CD1 4.28Å; W21-L26 HydrophobicContact CH2-CD1 4.24Å; W21-L26 HydrophobicContact CZ3-CD1 3.57Å; W21-L26 HydrophobicContact CZ3-CG 4.03Å; L26-L46 HydrophobicContact CG-CD1 4.35Å; L26-L46 WeakPolarHBondContact O-CD1 3.33Å; L26-V48 HydrophobicContact CB-CG2 3.9Å; L26-V48 HydrophobicContact CD2-CG2 4.2Å; L26-V48 HydrophobicContact CG-CG2 4.46Å; L26-D449 HydrophobicContact CD1-CB 4.24Å; L26-D449 VanDerWaalsContact CD1-OD2 3.25Å; L26-D449 WeakPolarHBondContact CD1-OD2 3.46Å; L26-Q452 HydrophobicContact CD1-CB 4.2Å; L26-Q452 HydrophobicContact CD1-CG 4.33Å; L26-K454 HydrophobicContact CD1-CD 4.23Å; L26-K454 HydrophobicContact CD2-CD 4.19Å |
| 27 | I | 85 | Confident | 82.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 145.9 | 178.1 | 64.4 | 178.4 | 0 | 0 | 0 | 110.5 | H22 I25 I43 S44 W67 F88 | H22-I27 HydrophobicContact CB-CD1 4Å; H22-I27 HydrophobicContact CB-CG1 3.46Å; H22-I27 VanDerWaalsContact CB-CG1 3.46Å; H22-I27 PolarHBondContact N-O 2.99Å; I25-I27 HydrophobicContact CB-CG1 4.38Å; I25-I27 HydrophobicContact CG2-CG1 4.48Å; I25-I27 HydrophobicContact CG2-CG2 4.04Å; I25-I27 PolarHBondContact O-N 3.1Å; I27-I43 HydrophobicContact CB-CG2 4.43Å; I27-I43 HydrophobicContact CD1-CG2 4.45Å; I27-S44 VanDerWaalsContact CA-O 3.28Å; I27-S44 WeakPolarHBondContact CA-O 3.32Å; I27-W67 HydrophobicContact CD1-CH2 3.49Å; I27-W67 VanDerWaalsContact CD1-CH2 3.49Å; I27-W67 HydrophobicContact CD1-CZ2 3.99Å; I27-W67 HydrophobicContact CD1-CZ3 3.97Å; I27-W67 HydrophobicContact CG1-CH2 4.04Å; I27-W67 HydrophobicContact CG1-CZ2 4Å; I27-F88 HydrophobicContact CB-CE1 4.46Å; I27-F88 HydrophobicContact CD1-CD1 3.56Å; I27-F88 HydrophobicContact CD1-CE1 3.9Å; I27-F88 HydrophobicContact CD1-CG 4.26Å; I27-F88 HydrophobicContact CG2-CE1 3.83Å; I27-F88 HydrophobicContact CG2-CZ 4.44Å |
| 28 | L | 87.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 119.2 | -171.3 | -173.9 | 66.9 | 0 | 0 | 0 | 111.2 | L9 I19 W21 I30 I43 S44 L46 A456 V480 | L9-L28 HydrophobicContact CD1-CD2 3.7Å; I19-L28 HydrophobicContact CG2-CD1 3.45Å; I19-L28 VanDerWaalsContact CG2-CD1 3.45Å; I19-L28 HydrophobicContact CG2-CD2 4.31Å; I19-L28 HydrophobicContact CG2-CG 4.04Å; W21-L28 HydrophobicContact CD2-CD1 3.7Å; W21-L28 HydrophobicContact CE3-CB 4.43Å; W21-L28 HydrophobicContact CE3-CD1 4.34Å; W21-L28 HydrophobicContact CG-CD1 3.8Å; W21-L28 HydrophobicContact CZ2-CD1 4.33Å; L28-I30 HydrophobicContact CD2-CD1 4.19Å; L28-I30 HydrophobicContact CD2-CG1 4.25Å; L28-I30 HydrophobicContact CG-CD1 4.49Å; L28-I30 HydrophobicContact CG-CG1 4.11Å; L28-I43 CarbonylContact O-C 3.27Å; L28-I43 WeakPolarHBondContact O-CA 3.38Å; L28-S44 PolarHBondContact N-O 2.77Å; L28-S44 PolarHBondContact O-N 3.14Å; L28-L46 HydrophobicContact CB-CD1 4.06Å; L28-A456 HydrophobicContact CD1-CB 4.19Å; L28-A456 HydrophobicContact CD2-CB 3.67Å; L28-V480 HydrophobicContact CD2-CG1 4.27Å |
| 29 | A | 89.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 136.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I19 K20 V42 I43 I65 W67 L74 | I19-A29 VanDerWaalsContact CA-O 3.3Å; I19-A29 WeakPolarHBondContact CA-O 3.43Å; K20-A29 PolarHBondContact N-O 2.82Å; K20-A29 PolarHBondContact O-N 3.5Å; A29-V42 CarbonylContact C-O 3.5Å; A29-V42 WeakPolarHBondContact CA-O 3.22Å; A29-I43 HydrophobicContact CB-CG1 4.46Å; A29-I65 HydrophobicContact CB-CD1 3.65Å; A29-W67 HydrophobicContact CB-CZ2 3.58Å; A29-L74 HydrophobicContact CB-CD1 3.87Å; A29-L74 HydrophobicContact CB-CD2 3.66Å; A29-L74 HydrophobicContact CB-CG 4.44Å |
| 30 | I | 89 | Confident | 82.3 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 110 | -171.4 | -52.8 | 172.5 | 0 | 0 | 0 | 108.8 | L9 F12 I16 I19 L28 V41 V42 V480 | L9-I30 HydrophobicContact CD1-CD1 4.01Å; F12-I30 HydrophobicContact CD1-CG2 4.36Å; F12-I30 HydrophobicContact CE1-CD1 3.95Å; F12-I30 HydrophobicContact CE1-CG2 4.36Å; F12-I30 HydrophobicContact CE2-CD1 4.09Å; F12-I30 HydrophobicContact CZ-CD1 3.49Å; F12-I30 VanDerWaalsContact CZ-CD1 3.49Å; I16-I30 HydrophobicContact CD1-CG2 4.01Å; I16-I30 HydrophobicContact CG1-CG2 4.24Å; I16-I30 HydrophobicContact CG2-CG2 4.07Å; I19-I30 HydrophobicContact CD1-CB 4.36Å; I19-I30 HydrophobicContact CD1-CG1 3.98Å; I19-I30 HydrophobicContact CD1-CG2 3.93Å; I19-I30 HydrophobicContact CG1-CB 4.41Å; I19-I30 HydrophobicContact CG1-CG1 4.35Å; I19-I30 HydrophobicContact CG1-CG2 4.14Å; L28-I30 HydrophobicContact CD2-CD1 4.19Å; L28-I30 HydrophobicContact CD2-CG1 4.25Å; L28-I30 HydrophobicContact CG-CD1 4.49Å; L28-I30 HydrophobicContact CG-CG1 4.11Å; I30-V41 CarbonylContact O-C 2.87Å; I30-V41 VanDerWaalsContact O-CA 3.3Å; I30-V41 WeakPolarHBondContact O-CA 3.45Å; I30-V42 PolarHBondContact N-O 2.65Å; I30-V42 PolarHBondContact O-N 2.91Å; I30-V480 HydrophobicContact CD1-CB 4.41Å; I30-V480 HydrophobicContact CD1-CG1 4.41Å; I30-V480 HydrophobicContact CD1-CG2 4.16Å; I30-V480 HydrophobicContact CG2-CG2 4.26Å |
| 31 | A | 88.9 | Confident | 82.3 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 129.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I16 I17 D18 E40 V41 P62 I65 | I16-A31 CarbonylContact C-O 3.53Å; I16-A31 WeakPolarHBondContact CA-O 3.43Å; I16-A31 WeakPolarHBondContact CG2-O 3.34Å; I17-A31 PolarHBondContact N-O 2.83Å; D18-A31 PolarHBondContact O-N 3.35Å; A31-E40 CarbonylContact C-O 3.53Å; A31-V41 HydrophobicContact CB-CG2 3.98Å; A31-P62 HydrophobicContact CB-CB 4.19Å; A31-P62 HydrophobicContact CB-CG 4.04Å; A31-I65 HydrophobicContact CB-CD1 4.44Å; A31-I65 HydrophobicContact CB-CG2 3.82Å |
| 32 | S | 86.3 | Confident | 82.3 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 149.1 | -176 | 84.6 | 0 | 0 | 0 | 0 | 114.1 | T13 K15 G39 E40 P62 | T13-S32 PolarHBondContact O-OG 2.78Å; K15-S32 CarbonylContact O-C 3.6Å; K15-S32 WeakPolarHBondContact O-CA 3.4Å; S32-G39 VanDerWaalsContact O-CA 3.31Å; S32-G39 WeakPolarHBondContact O-CA 3.36Å; S32-E40 PolarHBondContact N-O 3.2Å; S32-E40 PolarHBondContact O-N 3.14Å; S32-P62 WeakPolarHBondContact O-CD 3.42Å; S32-P62 WeakPolarHBondContact O-CG 3.43Å |
| 33 | H | 85.2 | Confident | 82.4 | Confident | 50 Ų | 50 | 38.4 Ų | 38.4 | 23% | 0.231 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 105.7 | 172.1 | 174.6 | -149.2 | 0 | 0 | 0 | 110.2 | G14 K15 I17 G35 S38 I61 | G14-H33 CarbonylContact C-O 3.51Å; G14-H33 WeakPolarHBondContact CA-O 3.44Å; K15-H33 PolarHBondContact N-O 3.5Å; K15-H33 VanDerWaalsContact N-O 3.09Å; K15-H33 PolarHBondContact O-N 3.17Å; I17-H33 HydrophobicContact CD1-CB 3.84Å; I17-H33 HydrophobicContact CG1-CB 4.34Å; H33-G35 PolarHBondContact CE1-O 2.92Å; H33-G35 PolarHBondContact NE2-O 2.7Å; H33-S38 PolarHBondContact CD2-O 3.08Å; H33-I61 HydrophobicContact CB-CG2 3.68Å; H33-I61 VanDerWaalsContact NE2-CD1 3.34Å; H33-I61 WeakPolarHBondContact NE2-CD1 3.35Å |
| 34 | V | 80.1 | Confident | 82.6 | Confident | 23 Ų | 23 | 36 Ų | 36 | 14% | 0.139 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 103.8 | -176.2 | -160.8 | 0 | 0 | 0 | 0 | 110.9 | T13 S38 E40 | T13-V34 WeakPolarHBondContact O-CG2 3.5Å; V34-S38 CarbonylContact C-O 3.58Å; V34-S38 WeakPolarHBondContact CA-O 3.39Å; V34-S38 PolarHBondContact N-O 2.75Å; V34-S38 CarbonylContact O-C 3.59Å; V34-S38 PolarHBondContact O-N 2.97Å; V34-S38 PolarHBondContact O-OG 3.04Å; V34-E40 HydrophobicContact CG2-CB 3.64Å |
| 35 | G | 72.3 | Confident | 82.8 | Confident | 43 Ų | 43 | 29.6 Ų | 29.6 | 44% | 0.443 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -119.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114 | H33 | H33-G35 PolarHBondContact CE1-O 2.92Å; H33-G35 PolarHBondContact NE2-O 2.7Å |
| 36 | K | 69.6 | Low | 82.6 | Confident | 193 Ų | 193 | 28.1 Ų | 28.1 | 84% | 0.839 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -30.5 | -176.5 | -77.6 | -171.2 | 175.9 | -177.7 | 0 | 115 | ||
| 37 | Q | 71.4 | Confident | 82.1 | Confident | 150 Ų | 150 | 35.2 Ų | 35.2 | 70% | 0.701 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -148.8 | -8.4 | -171.1 | -72.2 | -172.3 | -32 | 0 | 0 | 113.7 | P59 C60 | Q37-P59 CarbonylContact O-C 3.49Å; Q37-C60 CarbonylContact O-C 3.57Å; Q37-C60 VanDerWaalsContact O-C 3.32Å; Q37-C60 WeakPolarHBondContact O-CA 3.49Å; Q37-C60 PolarHBondContact O-N 2.77Å |
| 38 | S | 81 | Confident | 81.1 | Confident | 52 Ų | 52 | 37 Ų | 37 | 36% | 0.364 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 160.5 | 177.8 | 33.7 | 0 | 0 | 0 | 0 | 111.4 | H33 V34 R58 C60 | H33-S38 PolarHBondContact CD2-O 3.08Å; V34-S38 CarbonylContact C-O 3.58Å; V34-S38 WeakPolarHBondContact CA-O 3.39Å; V34-S38 PolarHBondContact N-O 2.75Å; V34-S38 CarbonylContact O-C 3.59Å; V34-S38 PolarHBondContact O-N 2.97Å; V34-S38 PolarHBondContact O-OG 3.04Å; S38-R58 CarbonylContact C-O 3.55Å; S38-R58 VanDerWaalsContact CA-O 3.26Å; S38-R58 WeakPolarHBondContact CA-O 3.43Å; S38-C60 CarbonylContact C-O 3.53Å |
| 39 | G | 83.1 | Confident | 79.6 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 154.7 | -175 | 0 | 0 | 0 | 0 | 0 | 111.1 | S32 T57 R58 C60 | S32-G39 VanDerWaalsContact O-CA 3.31Å; S32-G39 WeakPolarHBondContact O-CA 3.36Å; G39-T57 WeakPolarHBondContact O-CA 3.15Å; G39-R58 PolarHBondContact N-O 3.35Å; G39-R58 PolarHBondContact O-N 2.85Å; G39-C60 VanDerWaalsContact CA-O 3.27Å; G39-C60 WeakPolarHBondContact CA-O 3.23Å; G39-C60 PolarHBondContact N-O 3.41Å |
| 40 | E | 86.9 | Confident | 78.4 | Confident | 31 Ų | 31 | 49.8 Ų | 49.8 | 15% | 0.145 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 139.8 | -171.3 | 169 | -178.9 | -131.7 | 0 | 0 | 108.8 | A31 S32 V34 V42 I56 T57 | A31-E40 CarbonylContact C-O 3.53Å; S32-E40 PolarHBondContact N-O 3.2Å; S32-E40 PolarHBondContact O-N 3.14Å; V34-E40 HydrophobicContact CG2-CB 3.64Å; E40-V42 HydrophobicContact CG-CG2 3.79Å; E40-I56 CarbonylContact C-O 3.53Å; E40-I56 VanDerWaalsContact CA-O 3.29Å; E40-I56 WeakPolarHBondContact CA-O 3.23Å; E40-T57 HydrophobicContact CB-CG2 4.14Å; E40-T57 HydrophobicContact CG-CG2 4.09Å |
| 41 | V | 88.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 119.8 | 168.5 | -176 | 0 | 0 | 0 | 0 | 108.5 | I30 A31 T55 I56 P62 I65 L74 V76 W78 | I30-V41 CarbonylContact O-C 2.87Å; I30-V41 VanDerWaalsContact O-CA 3.3Å; I30-V41 WeakPolarHBondContact O-CA 3.45Å; A31-V41 HydrophobicContact CB-CG2 3.98Å; V41-T55 CarbonylContact O-C 3.5Å; V41-T55 WeakPolarHBondContact O-CA 3.47Å; V41-I56 HydrophobicContact CB-CB 4.34Å; V41-I56 HydrophobicContact CB-CD1 4.49Å; V41-I56 PolarHBondContact N-O 2.81Å; V41-I56 PolarHBondContact O-N 3.15Å; V41-P62 HydrophobicContact CG2-CB 4.05Å; V41-P62 HydrophobicContact CG2-CG 4.14Å; V41-I65 HydrophobicContact CG1-CG2 4.34Å; V41-I65 HydrophobicContact CG2-CG2 4.42Å; V41-L74 HydrophobicContact CG1-CD2 3.69Å; V41-V76 HydrophobicContact CB-CG2 4.33Å; V41-V76 HydrophobicContact CG1-CG2 4.21Å; V41-V76 HydrophobicContact CG2-CB 4.47Å; V41-V76 HydrophobicContact CG2-CG1 3.68Å; V41-V76 HydrophobicContact CG2-CG2 3.93Å; V41-W78 HydrophobicContact CG2-CH2 4.32Å |
| 42 | V | 87.7 | Confident | 76.4 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 7% | 0.067 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 132 | 178.6 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | F12 A29 I30 E40 A54 T55 | F12-V42 HydrophobicContact CD1-CB 4.36Å; F12-V42 HydrophobicContact CD1-CG2 3.84Å; F12-V42 HydrophobicContact CE1-CB 3.81Å; F12-V42 HydrophobicContact CE1-CG1 4Å; F12-V42 HydrophobicContact CE1-CG2 3.74Å; A29-V42 CarbonylContact C-O 3.5Å; A29-V42 WeakPolarHBondContact CA-O 3.22Å; I30-V42 PolarHBondContact N-O 2.65Å; I30-V42 PolarHBondContact O-N 2.91Å; E40-V42 HydrophobicContact CG-CG2 3.79Å; V42-A54 CarbonylContact C-O 3.13Å; V42-A54 WeakPolarHBondContact CA-O 3.06Å; V42-T55 HydrophobicContact CB-CG2 4.44Å; V42-T55 HydrophobicContact CG1-CG2 4.04Å; V42-T55 HydrophobicContact CG2-CG2 3.99Å |
| 43 | I | 88.6 | Confident | 76.1 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 116.8 | 170.4 | -57 | 168.4 | 0 | 0 | 0 | 106.9 | I27 L28 A29 D53 A54 W67 L74 F88 | I27-I43 HydrophobicContact CB-CG2 4.43Å; I27-I43 HydrophobicContact CD1-CG2 4.45Å; L28-I43 CarbonylContact O-C 3.27Å; L28-I43 WeakPolarHBondContact O-CA 3.38Å; A29-I43 HydrophobicContact CB-CG1 4.46Å; I43-D53 CarbonylContact O-C 3.55Å; I43-D53 VanDerWaalsContact O-CA 3.28Å; I43-D53 WeakPolarHBondContact O-CA 3.37Å; I43-A54 HydrophobicContact CB-CB 4.37Å; I43-A54 PolarHBondContact N-O 3.48Å; I43-A54 PolarHBondContact O-N 3.11Å; I43-W67 HydrophobicContact CD1-CH2 3.95Å; I43-W67 HydrophobicContact CG1-CH2 4.13Å; I43-W67 HydrophobicContact CG1-CZ2 4.43Å; I43-W67 HydrophobicContact CG2-CH2 3.68Å; I43-W67 HydrophobicContact CG2-CZ2 3.97Å; I43-L74 HydrophobicContact CD1-CB 4.36Å; I43-L74 HydrophobicContact CD1-CD2 3.91Å; I43-L74 HydrophobicContact CG1-CD2 3.92Å; I43-F88 HydrophobicContact CB-CD2 3.92Å; I43-F88 HydrophobicContact CB-CE2 3.85Å; I43-F88 HydrophobicContact CD1-CB 4.39Å; I43-F88 HydrophobicContact CD1-CD2 3.86Å; I43-F88 HydrophobicContact CD1-CG 4.42Å; I43-F88 HydrophobicContact CG2-CD1 4.41Å; I43-F88 HydrophobicContact CG2-CD2 3.49Å; I43-F88 VanDerWaalsContact CG2-CD2 3.49Å; I43-F88 HydrophobicContact CG2-CE1 4.33Å; I43-F88 HydrophobicContact CG2-CE2 3.38Å; I43-F88 HydrophobicContact CG2-CG 4.01Å; I43-F88 HydrophobicContact CG2-CZ 3.83Å |
| 44 | S | 83.9 | Confident | 76 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 131 | 178.6 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | L9 I27 L28 D53 | L9-S44 VanDerWaalsContact CD2-OG 3.3Å; L9-S44 WeakPolarHBondContact CD2-OG 3.41Å; I27-S44 VanDerWaalsContact CA-O 3.28Å; I27-S44 WeakPolarHBondContact CA-O 3.32Å; L28-S44 PolarHBondContact N-O 2.77Å; L28-S44 PolarHBondContact O-N 3.14Å; S44-D53 WeakPolarHBondContact CA-OD1 3.25Å |
| 45 | A | 80.7 | Confident | 76.2 | Confident | 3 Ų | 3 | 66.8 Ų | 66.8 | 3% | 0.025 | 35% | 0.351 | C | S | . | . | trans | -86.1 | -6.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K47 V48 Y51 D53 F88 | A45-K47 PolarHBondContact O-N 3.31Å; A45-V48 WeakPolarHBondContact O-CB 3.34Å; A45-V48 VanDerWaalsContact O-CG2 3.31Å; A45-V48 WeakPolarHBondContact O-CG2 3.46Å; A45-V48 PolarHBondContact O-N 3.5Å; A45-Y51 VanDerWaalsContact CB-O 3.29Å; A45-Y51 WeakPolarHBondContact CB-O 3.37Å; A45-D53 WeakPolarHBondContact CB-OD1 3.44Å; A45-D53 PolarHBondContact N-OD1 2.93Å; A45-F88 HydrophobicContact CB-CZ 4.27Å | ||
| 46 | L | 72.3 | Confident | 76.8 | Confident | 8 Ų | 8 | 65.2 Ų | 65.2 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 32.5 | 165.4 | -69.8 | 162.8 | 0 | 0 | 0 | 115.9 | L9 W21 L26 L28 V48 I482 | L9-L46 HydrophobicContact CD1-CD2 4.34Å; L9-L46 HydrophobicContact CD2-CD2 3.72Å; L9-L46 HydrophobicContact CG-CD2 4.46Å; W21-L46 HydrophobicContact CE3-CD1 4.18Å; W21-L46 HydrophobicContact CH2-CD1 3.45Å; W21-L46 VanDerWaalsContact CH2-CD1 3.45Å; W21-L46 HydrophobicContact CZ3-CD1 3.18Å; L26-L46 HydrophobicContact CG-CD1 4.35Å; L26-L46 WeakPolarHBondContact O-CD1 3.33Å; L28-L46 HydrophobicContact CB-CD1 4.06Å; L46-V48 PolarHBondContact O-N 2.93Å; L46-I482 HydrophobicContact CD2-CD1 3.15Å |
| 47 | K | 66.5 | Low | 77.5 | Confident | 169 Ų | 169 | 60.8 Ų | 60.8 | 74% | 0.735 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 21.9 | -175 | -62.6 | 167 | 171 | 164.3 | 0 | 114.1 | E7 A45 | E7-K47 WeakPolarHBondContact OE1-CE 3.27Å; E7-K47 IonicContact OE1-NZ 2.65Å; E7-K47 PolarHBondContact OE1-NZ 3.23Å; A45-K47 PolarHBondContact O-N 3.31Å |
| 48 | V | 64 | Low | 78.2 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | trans | -67.6 | 123.6 | 164.6 | -178 | 0 | 0 | 0 | 0 | 107.8 | L26 A45 L46 Y51 | L26-V48 HydrophobicContact CB-CG2 3.9Å; L26-V48 HydrophobicContact CD2-CG2 4.2Å; L26-V48 HydrophobicContact CG-CG2 4.46Å; A45-V48 WeakPolarHBondContact O-CB 3.34Å; A45-V48 VanDerWaalsContact O-CG2 3.31Å; A45-V48 WeakPolarHBondContact O-CG2 3.46Å; A45-V48 PolarHBondContact O-N 3.5Å; L46-V48 PolarHBondContact O-N 2.93Å; V48-Y51 HydrophobicContact CB-CD2 4.45Å; V48-Y51 HydrophobicContact CG1-CD2 3.9Å; V48-Y51 HydrophobicContact CG1-CE2 4.4Å | ||
| 49 | P | 56.7 | Low | 78.4 | Confident | 103 Ų | 103 | 59.5 Ų | 59.5 | 67% | 0.669 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 145.5 | 177.7 | 25 | -33.4 | 0 | 0 | 0 | 111.1 | ||
| 50 | N | 64.3 | Low | 78.5 | Confident | 165 Ų | 165 | 59.9 Ų | 59.9 | 88% | 0.882 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 10.5 | -178.1 | -44.7 | -29.2 | 0 | 0 | 0 | 116.9 | ||
| 51 | Y | 66.1 | Low | 78.4 | Confident | 86 Ų | 86 | 59.8 Ų | 59.8 | 34% | 0.337 | 32% | 0.321 | S | S | . | . | trans | -126.9 | 140.3 | 170.7 | -67.7 | -79.5 | 0 | 0 | 0 | 111.3 | I25 A45 V48 F88 | I25-Y51 HydrophobicContact CG2-CE2 4.41Å; A45-Y51 VanDerWaalsContact CB-O 3.29Å; A45-Y51 WeakPolarHBondContact CB-O 3.37Å; V48-Y51 HydrophobicContact CB-CD2 4.45Å; V48-Y51 HydrophobicContact CG1-CD2 3.9Å; V48-Y51 HydrophobicContact CG1-CE2 4.4Å; Y51-F88 AromaticContact CD1-CD1 3.85Å; Y51-F88 HydrophobicContact CD1-CD1 3.85Å; Y51-F88 AromaticContact CD1-CE1 3.4Å; Y51-F88 HydrophobicContact CD1-CE1 3.4Å; Y51-F88 VanDerWaalsContact CD1-CE1 3.4Å; Y51-F88 HydrophobicContact CD1-CZ 4.33Å; Y51-F88 HydrophobicContact CE1-CD1 4.24Å; Y51-F88 HydrophobicContact CE1-CE1 4.19Å; Y51-F88 AromaticContact CG-CE1 3.92Å; Y51-F88 HydrophobicContact CG-CE1 3.92Å | ||
| 52 | E | 69.7 | Low | 78.5 | Confident | 147 Ų | 147 | 59.9 Ų | 59.9 | 69% | 0.687 | 32% | 0.321 | S | S | * | . | trans | -113.7 | 151 | 177.7 | -64.6 | -170.7 | 173.1 | 0 | 0 | 111.3 | A54 F88 | E52-A54 PolarHBondContact O-N 3.32Å; E52-F88 WeakPolarHBondContact O-CE2 3.37Å; E52-F88 WeakPolarHBondContact O-CZ 3.44Å | ||
| 53 | D | 79.6 | Confident | 78.5 | Confident | 94 Ų | 94 | 61.1 Ų | 61.1 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | trans | -67.3 | 127.2 | 178.4 | -75.1 | 12.9 | 0 | 0 | 0 | 111 | I43 S44 A45 | I43-D53 CarbonylContact O-C 3.55Å; I43-D53 VanDerWaalsContact O-CA 3.28Å; I43-D53 WeakPolarHBondContact O-CA 3.37Å; S44-D53 WeakPolarHBondContact CA-OD1 3.25Å; A45-D53 WeakPolarHBondContact CB-OD1 3.44Å; A45-D53 PolarHBondContact N-OD1 2.93Å | ||
| 54 | A | 83.7 | Confident | 78.5 | Confident | 13 Ų | 13 | 61.7 Ų | 61.7 | 11% | 0.107 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 143.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V42 I43 E52 F88 | V42-A54 CarbonylContact C-O 3.13Å; V42-A54 WeakPolarHBondContact CA-O 3.06Å; I43-A54 HydrophobicContact CB-CB 4.37Å; I43-A54 PolarHBondContact N-O 3.48Å; I43-A54 PolarHBondContact O-N 3.11Å; E52-A54 PolarHBondContact O-N 3.32Å; A54-F88 HydrophobicContact CB-CD2 3.91Å; A54-F88 HydrophobicContact CB-CE2 3.82Å |
| 55 | T | 84 | Confident | 78.9 | Confident | 94 Ų | 94 | 61.5 Ų | 61.5 | 58% | 0.577 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 136.3 | -179.3 | 60.5 | 0 | 0 | 0 | 0 | 112.3 | V41 V42 | V41-T55 CarbonylContact O-C 3.5Å; V41-T55 WeakPolarHBondContact O-CA 3.47Å; V42-T55 HydrophobicContact CB-CG2 4.44Å; V42-T55 HydrophobicContact CG1-CG2 4.04Å; V42-T55 HydrophobicContact CG2-CG2 3.99Å |
| 56 | I | 85.2 | Confident | 79.3 | Confident | 9 Ų | 9 | 62.2 Ų | 62.2 | 5% | 0.046 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 102.1 | -179.5 | -48.9 | 171 | 0 | 0 | 0 | 108.4 | E40 V41 W78 C86 V93 | E40-I56 CarbonylContact C-O 3.53Å; E40-I56 VanDerWaalsContact CA-O 3.29Å; E40-I56 WeakPolarHBondContact CA-O 3.23Å; V41-I56 HydrophobicContact CB-CB 4.34Å; V41-I56 HydrophobicContact CB-CD1 4.49Å; V41-I56 PolarHBondContact N-O 2.81Å; V41-I56 PolarHBondContact O-N 3.15Å; I56-W78 HydrophobicContact CG2-CZ2 4.28Å; I56-C86 HydrophobicContact CD1-CB 3.55Å; I56-V93 HydrophobicContact CD1-CG1 4.47Å; I56-V93 HydrophobicContact CD1-CG2 4.48Å; I56-V93 HydrophobicContact CG1-CG2 4.32Å; I56-V93 HydrophobicContact CG2-CG1 4.09Å |
| 57 | T | 84.9 | Confident | 80.2 | Confident | 101 Ų | 101 | 62.7 Ų | 62.7 | 62% | 0.62 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 132.7 | 178.8 | 55.4 | 0 | 0 | 0 | 0 | 111.3 | G39 E40 | G39-T57 WeakPolarHBondContact O-CA 3.15Å; E40-T57 HydrophobicContact CB-CG2 4.14Å; E40-T57 HydrophobicContact CG-CG2 4.09Å |
| 58 | R | 84.2 | Confident | 81.2 | Confident | 55 Ų | 55 | 54.9 Ų | 54.9 | 21% | 0.208 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 155.9 | -179 | -66.7 | -168.6 | 171.9 | -109.7 | 2.5 | 113.4 | S38 G39 C60 W78 D95 | S38-R58 CarbonylContact C-O 3.55Å; S38-R58 VanDerWaalsContact CA-O 3.26Å; S38-R58 WeakPolarHBondContact CA-O 3.43Å; G39-R58 PolarHBondContact N-O 3.35Å; G39-R58 PolarHBondContact O-N 2.85Å; R58-C60 PolarHBondContact O-N 3.24Å; R58-W78 HydrophobicContact CB-CE3 4.29Å; R58-W78 HydrophobicContact CB-CH2 3.75Å; R58-W78 HydrophobicContact CB-CZ2 4.25Å; R58-W78 HydrophobicContact CB-CZ3 3.75Å; R58-W78 HydrophobicContact CG-CH2 3.92Å; R58-W78 HydrophobicContact CG-CZ2 4.06Å; R58-W78 HydrophobicContact CG-CZ3 4.42Å; R58-D95 IonicContact CZ-OD1 3.72Å; R58-D95 IonicContact CZ-OD2 3.36Å; R58-D95 IonicContact NH1-OD1 2.65Å; R58-D95 PolarHBondContact NH1-OD1 2.96Å; R58-D95 IonicContact NH1-OD2 2.82Å; R58-D95 PolarHBondContact NH1-OD2 3.03Å; R58-D95 IonicContact NH2-OD1 3.58Å; R58-D95 PolarHBondContact NH2-OD1 2.9Å |
| 59 | P | 85.4 | Confident | 82.1 | Confident | 120 Ų | 120 | 54.3 Ų | 54.3 | 78% | 0.779 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -79.9 | 42.3 | 173.6 | 36.2 | -37.6 | 0 | 0 | 0 | 112.3 | Q37 | Q37-P59 CarbonylContact O-C 3.49Š|
| 60 | C | 85.5 | Confident | 83.3 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 5% | 0.054 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -148.2 | 162.2 | 170.4 | 43.3 | 0 | 0 | 0 | 0 | 108.8 | Q37 S38 G39 R58 W78 N79 N80 | Q37-C60 CarbonylContact O-C 3.57Å; Q37-C60 VanDerWaalsContact O-C 3.32Å; Q37-C60 WeakPolarHBondContact O-CA 3.49Å; Q37-C60 PolarHBondContact O-N 2.77Å; S38-C60 CarbonylContact C-O 3.53Å; G39-C60 VanDerWaalsContact CA-O 3.27Å; G39-C60 WeakPolarHBondContact CA-O 3.23Å; G39-C60 PolarHBondContact N-O 3.41Å; R58-C60 PolarHBondContact O-N 3.24Å; C60-W78 HydrophobicContact CB-CB 4.14Å; C60-W78 HydrophobicContact CB-CE3 4.11Å; C60-W78 VanDerWaalsContact O-CE3 3.26Å; C60-W78 VanDerWaalsContact O-CZ3 3.25Å; C60-W78 WeakPolarHBondContact O-CZ3 3.5Å; C60-W78 VanDerWaalsContact SG-CD2 3.56Å; C60-N79 WeakPolarHBondContact CB-OD1 3.18Å; C60-N80 HydrophobicContact CB-CB 4.14Å; C60-N80 WeakPolarHBondContact CB-ND2 3.48Å; C60-N80 PolarHBondContact SG-ND2 3.34Å |
| 61 | I | 85.6 | Confident | 84.2 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 15% | 0.154 | 27% | 0.27 | C | S | . | . | trans | -94.9 | 127.3 | -177.8 | -46.6 | 174.9 | 0 | 0 | 0 | 108.1 | I17 H33 W78 N79 | I17-I61 HydrophobicContact CD1-CG2 3.81Å; H33-I61 HydrophobicContact CB-CG2 3.68Å; H33-I61 VanDerWaalsContact NE2-CD1 3.34Å; H33-I61 WeakPolarHBondContact NE2-CD1 3.35Å; I61-W78 CarbonylContact O-C 3.59Å; I61-W78 WeakPolarHBondContact O-CA 3.26Å; I61-N79 HydrophobicContact CB-CB 4.11Å; I61-N79 PolarHBondContact N-OD1 2.92Å; I61-N79 PolarHBondContact O-N 3.4Å | ||
| 62 | P | 90.1 | Very high | 85 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 147.4 | 173.4 | 27.4 | -30.5 | 0 | 0 | 0 | 109.4 | I17 A31 S32 V41 V76 G77 W78 | I17-P62 HydrophobicContact CD1-CG 3.98Å; I17-P62 WeakPolarHBondContact CD1-O 3.45Å; A31-P62 HydrophobicContact CB-CB 4.19Å; A31-P62 HydrophobicContact CB-CG 4.04Å; S32-P62 WeakPolarHBondContact O-CD 3.42Å; S32-P62 WeakPolarHBondContact O-CG 3.43Å; V41-P62 HydrophobicContact CG2-CB 4.05Å; V41-P62 HydrophobicContact CG2-CG 4.14Å; P62-V76 HydrophobicContact CB-CG1 3.64Å; P62-G77 CarbonylContact C-O 3.05Å; P62-G77 VanDerWaalsContact CA-O 3.27Å; P62-G77 WeakPolarHBondContact CA-O 3.44Å; P62-W78 HydrophobicContact CB-CD2 4.47Å; P62-W78 HydrophobicContact CB-CE3 4.02Å; P62-W78 HydrophobicContact CB-CH2 4.45Å; P62-W78 HydrophobicContact CB-CZ3 4.04Å; P62-W78 HydrophobicContact CG-CE3 4.46Å; P62-W78 HydrophobicContact CG-CZ3 4.12Å |
| 63 | T | 86.8 | Confident | 85.9 | Confident | 37 Ų | 37 | 41.3 Ų | 41.3 | 23% | 0.227 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | -34.9 | -172.8 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | G77 N79 S103 V104 | T63-G77 PolarHBondContact N-O 3.36Å; T63-G77 PolarHBondContact OG1-O 3.49Å; T63-N79 HydrophobicContact CG2-CB 3.82Å; T63-S103 WeakPolarHBondContact CG2-OG 3.14Å; T63-V104 WeakPolarHBondContact CB-O 3.19Å; T63-V104 PolarHBondContact OG1-O 2.89Å |
| 64 | C | 88.6 | Confident | 86.3 | Confident | 12 Ų | 12 | 36.8 Ų | 36.8 | 8% | 0.081 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 154.6 | 168.4 | 53.7 | 0 | 0 | 0 | 0 | 109.9 | G77 I105 | C64-G77 PolarHBondContact O-N 3.05Å; C64-I105 PolarHBondContact SG-O 3.24Å; C64-I105 VanDerWaalsContact SG-O 3.33Å |
| 65 | I | 92 | Very high | 86.7 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 154.7 | 171.7 | 55.9 | 169.1 | 0 | 0 | 0 | 111 | D18 K20 A29 A31 V41 L74 L75 V76 | D18-I65 HydrophobicContact CB-CD1 4.46Å; D18-I65 HydrophobicContact CB-CG1 3.9Å; D18-I65 VanDerWaalsContact CG-CG1 3.49Å; D18-I65 VanDerWaalsContact OD2-CG1 3.23Å; D18-I65 WeakPolarHBondContact OD2-CG1 3.23Å; D18-I65 PolarHBondContact OD2-N 2.81Å; K20-I65 HydrophobicContact CB-CD1 4.36Å; K20-I65 HydrophobicContact CD-CG1 4.34Å; K20-I65 WeakPolarHBondContact CD-O 3.3Å; K20-I65 HydrophobicContact CG-CG1 4.43Å; K20-I65 PolarHBondContact NZ-O 3.43Å; A29-I65 HydrophobicContact CB-CD1 3.65Å; A31-I65 HydrophobicContact CB-CD1 4.44Å; A31-I65 HydrophobicContact CB-CG2 3.82Å; V41-I65 HydrophobicContact CG1-CG2 4.34Å; V41-I65 HydrophobicContact CG2-CG2 4.42Å; I65-L74 HydrophobicContact CB-CD1 4.16Å; I65-L75 CarbonylContact C-O 3.47Å; I65-L75 VanDerWaalsContact CA-O 3.31Å; I65-L75 WeakPolarHBondContact CA-O 3.42Å; I65-V76 HydrophobicContact CG2-CB 4.33Å; I65-V76 HydrophobicContact CG2-CG1 4.04Å; I65-V76 HydrophobicContact CG2-CG2 4.01Å |
| 66 | S | 90.8 | Very high | 87 | Confident | 18 Ų | 18 | 31.7 Ų | 31.7 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 113.4 | 179.3 | -143 | 0 | 0 | 0 | 0 | 111.6 | L75 L107 W109 | S66-L75 PolarHBondContact N-O 2.83Å; S66-L75 PolarHBondContact O-N 3.24Å; S66-L107 VanDerWaalsContact CB-O 3.27Å; S66-L107 WeakPolarHBondContact CB-O 3.47Å; S66-L107 PolarHBondContact OG-O 2.96Å; S66-W109 PolarHBondContact O-NE1 3.25Å |
| 67 | W | 90.5 | Very high | 87.3 | Confident | 17 Ų | 17 | 31.3 Ų | 31.3 | 6% | 0.064 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 137.1 | 170.1 | -73.5 | 113.7 | 0 | 0 | 0 | 110.4 | K20 W21 H22 I27 A29 I43 I73 L74 W109 | K20-W67 PolarHBondContact O-NE1 3.39Å; W21-W67 VanDerWaalsContact C-CD1 3.49Å; H22-W67 HydrophobicContact CB-CD2 3.92Å; H22-W67 HydrophobicContact CB-CE3 4.35Å; H22-W67 HydrophobicContact CB-CG 4.15Å; H22-W67 HydrophobicContact CB-CZ2 4.33Å; H22-W67 AromaticContact CD2-CD2 3.84Å; H22-W67 AromaticContact CD2-CE3 3.62Å; I27-W67 HydrophobicContact CD1-CH2 3.49Å; I27-W67 VanDerWaalsContact CD1-CH2 3.49Å; I27-W67 HydrophobicContact CD1-CZ2 3.99Å; I27-W67 HydrophobicContact CD1-CZ3 3.97Å; I27-W67 HydrophobicContact CG1-CH2 4.04Å; I27-W67 HydrophobicContact CG1-CZ2 4Å; A29-W67 HydrophobicContact CB-CZ2 3.58Å; I43-W67 HydrophobicContact CD1-CH2 3.95Å; I43-W67 HydrophobicContact CG1-CH2 4.13Å; I43-W67 HydrophobicContact CG1-CZ2 4.43Å; I43-W67 HydrophobicContact CG2-CH2 3.68Å; I43-W67 HydrophobicContact CG2-CZ2 3.97Å; W67-I73 WeakPolarHBondContact CA-O 3.48Å; W67-L74 HydrophobicContact CD2-CB 4.48Å; W67-L74 HydrophobicContact CD2-CD1 3.73Å; W67-L74 HydrophobicContact CE3-CB 3.94Å; W67-L74 HydrophobicContact CE3-CD1 4.05Å; W67-L74 HydrophobicContact CG-CD1 4.04Å; W67-L74 HydrophobicContact CH2-CB 4.29Å; W67-L74 HydrophobicContact CZ2-CD1 4.39Å; W67-L74 HydrophobicContact CZ3-CB 3.82Å; W67-L74 HydrophobicContact CZ3-CD1 4.49Å; W67-W109 VanDerWaalsContact C-NE1 3.34Å; W67-W109 PolarHBondContact O-NE1 2.77Å |
| 68 | H | 88.3 | Confident | 87.6 | Confident | 5 Ų | 5 | 26.5 Ų | 26.5 | 2% | 0.023 | 14% | 0.138 | C | C | . | . | trans | -60.3 | 145 | 163.6 | 175.5 | -96.1 | 0 | 0 | 0 | 109.6 | Y70 E71 I73 W109 G113 | H68-Y70 VanDerWaalsContact C-N 3.27Å; H68-Y70 PolarHBondContact ND1-N 2.82Å; H68-Y70 PolarHBondContact O-N 3Å; H68-E71 PolarHBondContact CE1-N 2.83Å; H68-E71 IonicContact CE1-OE2 3.65Å; H68-E71 WeakPolarHBondContact ND1-CB 3.44Å; H68-E71 PolarHBondContact ND1-N 2.79Å; H68-E71 PolarHBondContact ND1-O 3.34Å; H68-I73 HydrophobicContact CB-CB 3.91Å; H68-I73 HydrophobicContact CB-CG2 4.46Å; H68-I73 PolarHBondContact N-O 3.18Å; H68-W109 HydrophobicContact CB-CD2 4.41Å; H68-W109 HydrophobicContact CB-CH2 4.07Å; H68-W109 HydrophobicContact CB-CZ2 3.61Å; H68-W109 AromaticContact CD2-CE3 4Å; H68-W109 AromaticContact CD2-CH2 3.68Å; H68-W109 AromaticContact CD2-CZ3 3.65Å; H68-G113 WeakPolarHBondContact NE2-CA 3.37Å | ||
| 69 | P | 82.6 | Confident | 87.9 | Confident | 25 Ų | 25 | 26.7 Ų | 26.7 | 16% | 0.162 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -69 | -16.8 | -169 | 24.6 | -36 | 0 | 0 | 0 | 115.6 | P23 | P23-P69 WeakPolarHBondContact CG-O 3.48Š|
| 70 | Y | 82 | Confident | 88 | Confident | 100 Ų | 100 | 23.7 Ų | 23.7 | 39% | 0.392 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -131.1 | -60.5 | -170.5 | -51.4 | -39 | 0 | 0 | 0 | 114.2 | R24 H68 L111 | R24-Y70 VanDerWaalsContact NH1-CD1 3.32Å; H68-Y70 VanDerWaalsContact C-N 3.27Å; H68-Y70 PolarHBondContact ND1-N 2.82Å; H68-Y70 PolarHBondContact O-N 3Å; Y70-L111 PolarHBondContact OH-O 2.81Å |
| 71 | E | 82.4 | Confident | 88.1 | Confident | 112 Ų | 112 | 23.3 Ų | 23.3 | 52% | 0.523 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -78.8 | 150.1 | 175.3 | -61 | 163.6 | -165.6 | 0 | 0 | 111 | H22 H68 I73 | H22-E71 PolarHBondContact NE2-O 2.91Å; H68-E71 PolarHBondContact CE1-N 2.83Å; H68-E71 IonicContact CE1-OE2 3.65Å; H68-E71 WeakPolarHBondContact ND1-CB 3.44Å; H68-E71 PolarHBondContact ND1-N 2.79Å; H68-E71 PolarHBondContact ND1-O 3.34Å; E71-I73 HydrophobicContact CB-CD1 3.78Å; E71-I73 PolarHBondContact O-N 3.03Å; E71-I73 VanDerWaalsContact OE2-CD1 3.31Å; E71-I73 WeakPolarHBondContact OE2-CD1 3.33Å |
| 72 | S | 84 | Confident | 88.2 | Confident | 12 Ų | 12 | 22.8 Ų | 22.8 | 8% | 0.084 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -75.8 | 50.9 | -172.9 | 51.9 | 0 | 0 | 0 | 0 | 114.3 | F88 | S72-F88 VanDerWaalsContact O-CB 3.25Å; S72-F88 WeakPolarHBondContact O-CB 3.34Å; S72-F88 PolarHBondContact O-N 3.07Å |
| 73 | I | 86.8 | Confident | 88.1 | Confident | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.9 | -177.8 | -67.3 | 145.6 | 0 | 0 | 0 | 110.7 | W67 H68 E71 V85 C86 Y87 W109 W130 | W67-I73 WeakPolarHBondContact CA-O 3.48Å; H68-I73 HydrophobicContact CB-CB 3.91Å; H68-I73 HydrophobicContact CB-CG2 4.46Å; H68-I73 PolarHBondContact N-O 3.18Å; E71-I73 HydrophobicContact CB-CD1 3.78Å; E71-I73 PolarHBondContact O-N 3.03Å; E71-I73 VanDerWaalsContact OE2-CD1 3.31Å; E71-I73 WeakPolarHBondContact OE2-CD1 3.33Å; I73-V85 HydrophobicContact CG2-CG1 3.98Å; I73-C86 CarbonylContact C-O 3.56Å; I73-C86 VanDerWaalsContact CA-O 3.29Å; I73-C86 WeakPolarHBondContact CA-O 3.47Å; I73-Y87 HydrophobicContact CD1-CD1 4.07Å; I73-Y87 HydrophobicContact CD1-CE1 3.74Å; I73-Y87 HydrophobicContact CG1-CD1 3.6Å; I73-Y87 HydrophobicContact CG1-CE1 3.68Å; I73-Y87 HydrophobicContact CG1-CG 4.29Å; I73-W109 HydrophobicContact CG2-CZ2 4.16Å; I73-W130 HydrophobicContact CD1-CH2 4.14Å; I73-W130 HydrophobicContact CD1-CZ2 3.43Å; I73-W130 VanDerWaalsContact CD1-CZ2 3.43Å; I73-W130 HydrophobicContact CG1-CZ2 4.25Å; I73-W130 HydrophobicContact CG2-CH2 3.67Å; I73-W130 HydrophobicContact CG2-CZ2 4.13Å; I73-W130 HydrophobicContact CG2-CZ3 4.37Å |
| 74 | L | 89.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 128.6 | 174.9 | -171.8 | 66.5 | 0 | 0 | 0 | 110.7 | A29 V41 I43 I65 W67 V76 C86 | A29-L74 HydrophobicContact CB-CD1 3.87Å; A29-L74 HydrophobicContact CB-CD2 3.66Å; A29-L74 HydrophobicContact CB-CG 4.44Å; V41-L74 HydrophobicContact CG1-CD2 3.69Å; I43-L74 HydrophobicContact CD1-CB 4.36Å; I43-L74 HydrophobicContact CD1-CD2 3.91Å; I43-L74 HydrophobicContact CG1-CD2 3.92Å; I65-L74 HydrophobicContact CB-CD1 4.16Å; W67-L74 HydrophobicContact CD2-CB 4.48Å; W67-L74 HydrophobicContact CD2-CD1 3.73Å; W67-L74 HydrophobicContact CE3-CB 3.94Å; W67-L74 HydrophobicContact CE3-CD1 4.05Å; W67-L74 HydrophobicContact CG-CD1 4.04Å; W67-L74 HydrophobicContact CH2-CB 4.29Å; W67-L74 HydrophobicContact CZ2-CD1 4.39Å; W67-L74 HydrophobicContact CZ3-CB 3.82Å; W67-L74 HydrophobicContact CZ3-CD1 4.49Å; L74-V76 HydrophobicContact CD2-CG2 4.19Å; L74-V76 HydrophobicContact CG-CG2 4.26Å; L74-C86 HydrophobicContact CB-CB 4.37Å; L74-C86 PolarHBondContact N-O 3.01Å; L74-C86 PolarHBondContact O-N 2.68Å |
| 75 | L | 90.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 139.6 | 162.8 | -62.2 | 179.7 | 0 | 0 | 0 | 110.4 | I65 S66 T84 V85 L107 W109 V116 W130 I136 | I65-L75 CarbonylContact C-O 3.47Å; I65-L75 VanDerWaalsContact CA-O 3.31Å; I65-L75 WeakPolarHBondContact CA-O 3.42Å; S66-L75 PolarHBondContact N-O 2.83Å; S66-L75 PolarHBondContact O-N 3.24Å; L75-T84 WeakPolarHBondContact CA-O 3.18Å; L75-V85 HydrophobicContact CD2-CB 4.12Å; L75-V85 HydrophobicContact CD2-CG1 4.04Å; L75-V85 HydrophobicContact CD2-CG2 3.7Å; L75-L107 HydrophobicContact CB-CD1 3.75Å; L75-W109 HydrophobicContact CD1-CD2 4.2Å; L75-W109 VanDerWaalsContact CD1-CE2 3.46Å; L75-W109 HydrophobicContact CD1-CH2 4.01Å; L75-W109 HydrophobicContact CD1-CZ2 3.4Å; L75-W109 HydrophobicContact CD2-CZ2 4.2Å; L75-W109 HydrophobicContact CG-CH2 4.32Å; L75-W109 HydrophobicContact CG-CZ2 3.48Å; L75-W109 VanDerWaalsContact CG-CZ2 3.48Å; L75-V116 HydrophobicContact CD1-CB 3.97Å; L75-V116 HydrophobicContact CD1-CG1 3.88Å; L75-V116 HydrophobicContact CD1-CG2 3.69Å; L75-W130 HydrophobicContact CD2-CZ3 4.49Å; L75-I136 HydrophobicContact CD2-CD1 4.05Å |
| 76 | V | 91 | Very high | 87.9 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 122 | 175 | -173.1 | 0 | 0 | 0 | 0 | 109 | V41 P62 I65 L74 W78 T83 T84 | V41-V76 HydrophobicContact CB-CG2 4.33Å; V41-V76 HydrophobicContact CG1-CG2 4.21Å; V41-V76 HydrophobicContact CG2-CB 4.47Å; V41-V76 HydrophobicContact CG2-CG1 3.68Å; V41-V76 HydrophobicContact CG2-CG2 3.93Å; P62-V76 HydrophobicContact CB-CG1 3.64Å; I65-V76 HydrophobicContact CG2-CB 4.33Å; I65-V76 HydrophobicContact CG2-CG1 4.04Å; I65-V76 HydrophobicContact CG2-CG2 4.01Å; L74-V76 HydrophobicContact CD2-CG2 4.19Å; L74-V76 HydrophobicContact CG-CG2 4.26Å; V76-W78 HydrophobicContact CB-CZ2 4.1Å; V76-W78 HydrophobicContact CG1-CD2 4.12Å; V76-W78 VanDerWaalsContact CG1-CE2 3.48Å; V76-W78 HydrophobicContact CG1-CH2 4.25Å; V76-W78 HydrophobicContact CG1-CZ2 3.56Å; V76-W78 VanDerWaalsContact O-CD1 3.29Å; V76-W78 PolarHBondContact O-NE1 3.03Å; V76-T83 CarbonylContact O-C 2.82Å; V76-T83 WeakPolarHBondContact O-CA 3.48Å; V76-T84 PolarHBondContact N-O 3.43Å; V76-T84 PolarHBondContact O-N 3.23Å |
| 77 | G | 90.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 143.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | P62 T63 C64 | P62-G77 CarbonylContact C-O 3.05Å; P62-G77 VanDerWaalsContact CA-O 3.27Å; P62-G77 WeakPolarHBondContact CA-O 3.44Å; T63-G77 PolarHBondContact N-O 3.36Å; T63-G77 PolarHBondContact OG1-O 3.49Å; C64-G77 PolarHBondContact O-N 3.05Å |
| 78 | W | 92.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 151.1 | -176.2 | -55.1 | 84.4 | 0 | 0 | 0 | 112.4 | V41 I56 R58 C60 I61 P62 V76 N80 G81 C82 T84 V104 | V41-W78 HydrophobicContact CG2-CH2 4.32Å; I56-W78 HydrophobicContact CG2-CZ2 4.28Å; R58-W78 HydrophobicContact CB-CE3 4.29Å; R58-W78 HydrophobicContact CB-CH2 3.75Å; R58-W78 HydrophobicContact CB-CZ2 4.25Å; R58-W78 HydrophobicContact CB-CZ3 3.75Å; R58-W78 HydrophobicContact CG-CH2 3.92Å; R58-W78 HydrophobicContact CG-CZ2 4.06Å; R58-W78 HydrophobicContact CG-CZ3 4.42Å; C60-W78 HydrophobicContact CB-CB 4.14Å; C60-W78 HydrophobicContact CB-CE3 4.11Å; C60-W78 VanDerWaalsContact O-CE3 3.26Å; C60-W78 VanDerWaalsContact O-CZ3 3.25Å; C60-W78 WeakPolarHBondContact O-CZ3 3.5Å; C60-W78 VanDerWaalsContact SG-CD2 3.56Å; I61-W78 CarbonylContact O-C 3.59Å; I61-W78 WeakPolarHBondContact O-CA 3.26Å; P62-W78 HydrophobicContact CB-CD2 4.47Å; P62-W78 HydrophobicContact CB-CE3 4.02Å; P62-W78 HydrophobicContact CB-CH2 4.45Å; P62-W78 HydrophobicContact CB-CZ3 4.04Å; P62-W78 HydrophobicContact CG-CE3 4.46Å; P62-W78 HydrophobicContact CG-CZ3 4.12Å; V76-W78 HydrophobicContact CB-CZ2 4.1Å; V76-W78 HydrophobicContact CG1-CD2 4.12Å; V76-W78 VanDerWaalsContact CG1-CE2 3.48Å; V76-W78 HydrophobicContact CG1-CH2 4.25Å; V76-W78 HydrophobicContact CG1-CZ2 3.56Å; V76-W78 VanDerWaalsContact O-CD1 3.29Å; V76-W78 PolarHBondContact O-NE1 3.03Å; W78-N80 WeakPolarHBondContact CB-OD1 3.39Å; W78-N80 PolarHBondContact O-N 3.28Å; W78-G81 PolarHBondContact O-N 2.89Å; W78-C82 WeakPolarHBondContact CB-O 3.49Å; W78-C82 PolarHBondContact N-O 2.72Å; W78-T84 VanDerWaalsContact NE1-CG2 3.33Å; W78-T84 PolarHBondContact NE1-OG1 2.67Å; W78-V104 PolarHBondContact O-N 2.98Å |
| 79 | N | 89.9 | Confident | 86.5 | Confident | 60 Ų | 60 | 22.9 Ų | 22.9 | 32% | 0.321 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -8.3 | -176.4 | 78.6 | -38 | 0 | 0 | 0 | 114.9 | C60 I61 T63 S103 | C60-N79 WeakPolarHBondContact CB-OD1 3.18Å; I61-N79 HydrophobicContact CB-CB 4.11Å; I61-N79 PolarHBondContact N-OD1 2.92Å; I61-N79 PolarHBondContact O-N 3.4Å; T63-N79 HydrophobicContact CG2-CB 3.82Å; N79-S103 WeakPolarHBondContact CA-OG 3.23Å |
| 80 | N | 87.8 | Confident | 86 | Confident | 57 Ų | 57 | 26.2 Ų | 26.2 | 31% | 0.305 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 1.5 | 177.5 | 69.8 | -4.6 | 0 | 0 | 0 | 112.9 | C60 W78 C82 K99 | C60-N80 HydrophobicContact CB-CB 4.14Å; C60-N80 WeakPolarHBondContact CB-ND2 3.48Å; C60-N80 PolarHBondContact SG-ND2 3.34Å; W78-N80 WeakPolarHBondContact CB-OD1 3.39Å; W78-N80 PolarHBondContact O-N 3.28Å; N80-C82 VanDerWaalsContact OD1-CB 3.3Å; N80-C82 WeakPolarHBondContact OD1-CB 3.33Å; N80-C82 PolarHBondContact OD1-N 2.97Å; N80-K99 WeakPolarHBondContact O-CE 3.29Å |
| 81 | G | 86.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 89.6 | -1.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | W78 L100 G102 | W78-G81 PolarHBondContact O-N 2.89Å; G81-L100 PolarHBondContact O-N 3.31Å; G81-G102 WeakPolarHBondContact CA-O 3.43Å; G81-G102 PolarHBondContact N-O 3.12Å |
| 82 | C | 88.6 | Confident | 85.3 | Confident | 18 Ų | 18 | 25.5 Ų | 25.5 | 12% | 0.122 | 14% | 0.138 | C | C | . | . | trans | -78.7 | 152.4 | 170.7 | -63.7 | 0 | 0 | 0 | 0 | 110.8 | W78 N80 | W78-C82 WeakPolarHBondContact CB-O 3.49Å; W78-C82 PolarHBondContact N-O 2.72Å; N80-C82 VanDerWaalsContact OD1-CB 3.3Å; N80-C82 WeakPolarHBondContact OD1-CB 3.33Å; N80-C82 PolarHBondContact OD1-N 2.97Å | ||
| 83 | T | 88.4 | Confident | 85.2 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 138 | 165.3 | -59.8 | 0 | 0 | 0 | 0 | 107.8 | V76 M96 L107 | V76-T83 CarbonylContact O-C 2.82Å; V76-T83 WeakPolarHBondContact O-CA 3.48Å; T83-M96 VanDerWaalsContact CB-SD 3.51Å; T83-M96 HydrophobicContact CG2-CE 4.33Å; T83-M96 HydrophobicContact CG2-SD 3.46Å; T83-M96 WeakPolarHBondContact CG2-SD 3.16Å; T83-M96 PolarHBondContact O-N 3.42Å; T83-L107 HydrophobicContact CG2-CD1 4.29Å; T83-L107 HydrophobicContact CG2-CD2 3.81Å |
| 84 | T | 88.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 144 | -178.4 | 62.3 | 0 | 0 | 0 | 0 | 111.6 | L75 V76 W78 F94 D95 | L75-T84 WeakPolarHBondContact CA-O 3.18Å; V76-T84 PolarHBondContact N-O 3.43Å; V76-T84 PolarHBondContact O-N 3.23Å; W78-T84 VanDerWaalsContact NE1-CG2 3.33Å; W78-T84 PolarHBondContact NE1-OG1 2.67Å; T84-F94 CarbonylContact C-O 3.55Å; T84-F94 VanDerWaalsContact CA-O 3.24Å; T84-F94 WeakPolarHBondContact CA-O 3.49Å; T84-F94 WeakPolarHBondContact CB-O 3.42Å; T84-D95 HydrophobicContact CG2-CB 4.28Å |
| 85 | V | 88.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 136.8 | -178.6 | -167.7 | 0 | 0 | 0 | 0 | 108.9 | I73 L75 Y87 V93 F94 M96 W130 I136 | I73-V85 HydrophobicContact CG2-CG1 3.98Å; L75-V85 HydrophobicContact CD2-CB 4.12Å; L75-V85 HydrophobicContact CD2-CG1 4.04Å; L75-V85 HydrophobicContact CD2-CG2 3.7Å; V85-Y87 HydrophobicContact CB-CE2 4.45Å; V85-Y87 HydrophobicContact CG1-CD2 4.26Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; V85-V93 VanDerWaalsContact O-CA 3.29Å; V85-V93 WeakPolarHBondContact O-CA 3.47Å; V85-F94 HydrophobicContact CB-CD2 3.98Å; V85-F94 HydrophobicContact CB-CE1 4.39Å; V85-F94 HydrophobicContact CB-CE2 3.71Å; V85-F94 HydrophobicContact CB-CG 4.42Å; V85-F94 HydrophobicContact CB-CZ 3.93Å; V85-F94 HydrophobicContact CG1-CE1 4.5Å; V85-F94 HydrophobicContact CG1-CE2 4.35Å; V85-F94 HydrophobicContact CG1-CZ 4.1Å; V85-F94 HydrophobicContact CG2-CD2 3.87Å; V85-F94 HydrophobicContact CG2-CE2 3.39Å; V85-F94 HydrophobicContact CG2-CZ 3.96Å; V85-F94 PolarHBondContact N-O 3.06Å; V85-F94 PolarHBondContact O-N 3.27Å; V85-M96 HydrophobicContact CG2-CG 4.25Å; V85-W130 HydrophobicContact CG1-CH2 3.6Å; V85-W130 HydrophobicContact CG1-CZ3 3.9Å; V85-I136 HydrophobicContact CG2-CD1 3.8Å; V85-I136 HydrophobicContact CG2-CG1 4.44Å |
| 86 | C | 86.8 | Confident | 84.4 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 126.7 | 173.7 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | I56 I73 L74 N92 V93 | I56-C86 HydrophobicContact CD1-CB 3.55Å; I73-C86 CarbonylContact C-O 3.56Å; I73-C86 VanDerWaalsContact CA-O 3.29Å; I73-C86 WeakPolarHBondContact CA-O 3.47Å; L74-C86 HydrophobicContact CB-CB 4.37Å; L74-C86 PolarHBondContact N-O 3.01Å; L74-C86 PolarHBondContact O-N 2.68Å; C86-N92 WeakPolarHBondContact CA-O 3.16Å; C86-V93 HydrophobicContact CB-CG2 4.07Å |
| 87 | Y | 85.1 | Confident | 83.9 | Confident | 22 Ų | 22 | 40.4 Ų | 40.4 | 9% | 0.086 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 107.4 | 172.8 | -64.8 | -99.3 | 0 | 0 | 0 | 107.9 | I73 V85 S89 D90 H91 N92 F94 W130 G134 | I73-Y87 HydrophobicContact CD1-CD1 4.07Å; I73-Y87 HydrophobicContact CD1-CE1 3.74Å; I73-Y87 HydrophobicContact CG1-CD1 3.6Å; I73-Y87 HydrophobicContact CG1-CE1 3.68Å; I73-Y87 HydrophobicContact CG1-CG 4.29Å; V85-Y87 HydrophobicContact CB-CE2 4.45Å; V85-Y87 HydrophobicContact CG1-CD2 4.26Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; Y87-S89 VanDerWaalsContact C-N 3.33Å; Y87-S89 PolarHBondContact O-N 3.47Å; Y87-D90 PolarHBondContact O-N 3.5Å; Y87-H91 WeakPolarHBondContact O-CA 3.27Å; Y87-H91 PolarHBondContact O-N 3.35Å; Y87-N92 HydrophobicContact CD2-CB 4.19Å; Y87-N92 PolarHBondContact N-O 2.7Å; Y87-N92 PolarHBondContact O-N 2.69Å; Y87-F94 HydrophobicContact CD2-CE1 4.39Å; Y87-F94 HydrophobicContact CE2-CD1 4.23Å; Y87-F94 AromaticContact CE2-CE1 3.47Å; Y87-F94 HydrophobicContact CE2-CE1 3.47Å; Y87-F94 VanDerWaalsContact CE2-CE1 3.47Å; Y87-F94 HydrophobicContact CE2-CZ 4.02Å; Y87-W130 HydrophobicContact CE1-CH2 4.23Å; Y87-W130 AromaticContact CE1-CZ2 3.94Å; Y87-W130 HydrophobicContact CE1-CZ2 3.94Å; Y87-W130 HydrophobicContact CE2-CH2 4.49Å; Y87-W130 AromaticContact CZ-CH2 3.69Å; Y87-W130 AromaticContact CZ-CZ2 3.81Å; Y87-W130 WeakPolarHBondContact OH-CH2 3.47Å; Y87-W130 WeakPolarHBondContact OH-CZ2 3.38Å; Y87-G134 VanDerWaalsContact OH-CA 3.23Å; Y87-G134 WeakPolarHBondContact OH-CA 3.41Å; Y87-G134 PolarHBondContact OH-O 2.9Å |
| 88 | F | 80.3 | Confident | 83.5 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -27.1 | -175.1 | -176.3 | -113.6 | 0 | 0 | 0 | 112.9 | I27 I43 A45 Y51 E52 A54 S72 D90 | I27-F88 HydrophobicContact CB-CE1 4.46Å; I27-F88 HydrophobicContact CD1-CD1 3.56Å; I27-F88 HydrophobicContact CD1-CE1 3.9Å; I27-F88 HydrophobicContact CD1-CG 4.26Å; I27-F88 HydrophobicContact CG2-CE1 3.83Å; I27-F88 HydrophobicContact CG2-CZ 4.44Å; I43-F88 HydrophobicContact CB-CD2 3.92Å; I43-F88 HydrophobicContact CB-CE2 3.85Å; I43-F88 HydrophobicContact CD1-CB 4.39Å; I43-F88 HydrophobicContact CD1-CD2 3.86Å; I43-F88 HydrophobicContact CD1-CG 4.42Å; I43-F88 HydrophobicContact CG2-CD1 4.41Å; I43-F88 HydrophobicContact CG2-CD2 3.49Å; I43-F88 VanDerWaalsContact CG2-CD2 3.49Å; I43-F88 HydrophobicContact CG2-CE1 4.33Å; I43-F88 HydrophobicContact CG2-CE2 3.38Å; I43-F88 HydrophobicContact CG2-CG 4.01Å; I43-F88 HydrophobicContact CG2-CZ 3.83Å; A45-F88 HydrophobicContact CB-CZ 4.27Å; Y51-F88 AromaticContact CD1-CD1 3.85Å; Y51-F88 HydrophobicContact CD1-CD1 3.85Å; Y51-F88 AromaticContact CD1-CE1 3.4Å; Y51-F88 HydrophobicContact CD1-CE1 3.4Å; Y51-F88 VanDerWaalsContact CD1-CE1 3.4Å; Y51-F88 HydrophobicContact CD1-CZ 4.33Å; Y51-F88 HydrophobicContact CE1-CD1 4.24Å; Y51-F88 HydrophobicContact CE1-CE1 4.19Å; Y51-F88 AromaticContact CG-CE1 3.92Å; Y51-F88 HydrophobicContact CG-CE1 3.92Å; E52-F88 WeakPolarHBondContact O-CE2 3.37Å; E52-F88 WeakPolarHBondContact O-CZ 3.44Å; A54-F88 HydrophobicContact CB-CD2 3.91Å; A54-F88 HydrophobicContact CB-CE2 3.82Å; S72-F88 VanDerWaalsContact O-CB 3.25Å; S72-F88 WeakPolarHBondContact O-CB 3.34Å; S72-F88 PolarHBondContact O-N 3.07Å; F88-D90 VanDerWaalsContact C-N 3.34Å |
| 89 | S | 74.8 | Confident | 83 | Confident | 65 Ų | 65 | 49.4 Ų | 49.4 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -29.2 | 173.5 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | Y87 | Y87-S89 VanDerWaalsContact C-N 3.33Å; Y87-S89 PolarHBondContact O-N 3.47Å |
| 90 | D | 72.2 | Confident | 82.7 | Confident | 95 Ų | 95 | 47 Ų | 47 | 51% | 0.508 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -6.1 | -168.3 | -62.7 | 35.1 | 0 | 0 | 0 | 111.9 | Y87 F88 N92 | Y87-D90 PolarHBondContact O-N 3.5Å; F88-D90 VanDerWaalsContact C-N 3.34Å; D90-N92 HydrophobicContact CB-CB 4.22Å; D90-N92 WeakPolarHBondContact CB-ND2 3.44Å; D90-N92 PolarHBondContact O-N 2.72Å |
| 91 | H | 70.3 | Confident | 82.4 | Confident | 106 Ų | 106 | 50.4 Ų | 50.4 | 49% | 0.491 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 14.2 | -166.8 | -55.8 | -85.7 | 0 | 0 | 0 | 115.1 | Y87 | Y87-H91 WeakPolarHBondContact O-CA 3.27Å; Y87-H91 PolarHBondContact O-N 3.35Å |
| 92 | N | 78.3 | Confident | 82.3 | Confident | 91 Ų | 91 | 50.6 Ų | 50.6 | 49% | 0.487 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 131.2 | 179.4 | -79 | -42.9 | 0 | 0 | 0 | 111.2 | C86 Y87 D90 | C86-N92 WeakPolarHBondContact CA-O 3.16Å; Y87-N92 HydrophobicContact CD2-CB 4.19Å; Y87-N92 PolarHBondContact N-O 2.7Å; Y87-N92 PolarHBondContact O-N 2.69Å; D90-N92 HydrophobicContact CB-CB 4.22Å; D90-N92 WeakPolarHBondContact CB-ND2 3.44Å; D90-N92 PolarHBondContact O-N 2.72Å |
| 93 | V | 81.2 | Confident | 82.4 | Confident | 57 Ų | 57 | 51.1 Ų | 51.1 | 35% | 0.345 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 127.3 | 178.1 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | I56 V85 C86 | I56-V93 HydrophobicContact CD1-CG1 4.47Å; I56-V93 HydrophobicContact CD1-CG2 4.48Å; I56-V93 HydrophobicContact CG1-CG2 4.32Å; I56-V93 HydrophobicContact CG2-CG1 4.09Å; V85-V93 VanDerWaalsContact O-CA 3.29Å; V85-V93 WeakPolarHBondContact O-CA 3.47Å; C86-V93 HydrophobicContact CB-CG2 4.07Å |
| 94 | F | 84.9 | Confident | 82.5 | Confident | 62 Ų | 62 | 51.1 Ų | 51.1 | 27% | 0.272 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 165.3 | 176.7 | 63.8 | -109.7 | 0 | 0 | 0 | 113.5 | T84 V85 Y87 | T84-F94 CarbonylContact C-O 3.55Å; T84-F94 VanDerWaalsContact CA-O 3.24Å; T84-F94 WeakPolarHBondContact CA-O 3.49Å; T84-F94 WeakPolarHBondContact CB-O 3.42Å; V85-F94 HydrophobicContact CB-CD2 3.98Å; V85-F94 HydrophobicContact CB-CE1 4.39Å; V85-F94 HydrophobicContact CB-CE2 3.71Å; V85-F94 HydrophobicContact CB-CG 4.42Å; V85-F94 HydrophobicContact CB-CZ 3.93Å; V85-F94 HydrophobicContact CG1-CE1 4.5Å; V85-F94 HydrophobicContact CG1-CE2 4.35Å; V85-F94 HydrophobicContact CG1-CZ 4.1Å; V85-F94 HydrophobicContact CG2-CD2 3.87Å; V85-F94 HydrophobicContact CG2-CE2 3.39Å; V85-F94 HydrophobicContact CG2-CZ 3.96Å; V85-F94 PolarHBondContact N-O 3.06Å; V85-F94 PolarHBondContact O-N 3.27Å; Y87-F94 HydrophobicContact CD2-CE1 4.39Å; Y87-F94 HydrophobicContact CE2-CD1 4.23Å; Y87-F94 AromaticContact CE2-CE1 3.47Å; Y87-F94 HydrophobicContact CE2-CE1 3.47Å; Y87-F94 VanDerWaalsContact CE2-CE1 3.47Å; Y87-F94 HydrophobicContact CE2-CZ 4.02Å |
| 95 | D | 83.4 | Confident | 82.3 | Confident | 67 Ų | 67 | 53.2 Ų | 53.2 | 36% | 0.358 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 142.7 | 177.7 | -60.7 | 52.1 | 0 | 0 | 0 | 109.2 | R58 T84 | R58-D95 IonicContact CZ-OD1 3.72Å; R58-D95 IonicContact CZ-OD2 3.36Å; R58-D95 IonicContact NH1-OD1 2.65Å; R58-D95 PolarHBondContact NH1-OD1 2.96Å; R58-D95 IonicContact NH1-OD2 2.82Å; R58-D95 PolarHBondContact NH1-OD2 3.03Å; R58-D95 IonicContact NH2-OD1 3.58Å; R58-D95 PolarHBondContact NH2-OD1 2.9Å; T84-D95 HydrophobicContact CG2-CB 4.28Å |
| 96 | M | 83.7 | Confident | 82.2 | Confident | 13 Ų | 13 | 53.7 Ų | 53.7 | 6% | 0.064 | 28% | 0.275 | C | S | . | . | trans | -71.2 | 128.9 | 168.3 | -71.6 | 166 | 39.3 | 0 | 0 | 109.9 | T83 V85 Y98 F128 I136 | T83-M96 VanDerWaalsContact CB-SD 3.51Å; T83-M96 HydrophobicContact CG2-CE 4.33Å; T83-M96 HydrophobicContact CG2-SD 3.46Å; T83-M96 WeakPolarHBondContact CG2-SD 3.16Å; T83-M96 PolarHBondContact O-N 3.42Å; V85-M96 HydrophobicContact CG2-CG 4.25Å; M96-Y98 PolarHBondContact O-N 2.99Å; M96-Y98 VanDerWaalsContact O-N 3.11Å; M96-F128 HydrophobicContact CE-CD1 3.68Å; M96-F128 HydrophobicContact CE-CD2 3.59Å; M96-F128 HydrophobicContact CE-CE1 3.51Å; M96-F128 HydrophobicContact CE-CE2 3.42Å; M96-F128 VanDerWaalsContact CE-CE2 3.42Å; M96-F128 HydrophobicContact CE-CG 3.71Å; M96-F128 HydrophobicContact CE-CZ 3.38Å; M96-I136 HydrophobicContact CE-CG2 4.39Å; M96-I136 HydrophobicContact CG-CB 4.35Å; M96-I136 HydrophobicContact CG-CD1 3.94Å; M96-I136 HydrophobicContact CG-CG2 4.01Å; M96-I136 HydrophobicContact SD-CD1 3.46Å; M96-I136 WeakPolarHBondContact SD-CD1 3.12Å; M96-I136 HydrophobicContact SD-CG2 4.24Å | ||
| 97 | D | 78.6 | Confident | 82.3 | Confident | 131 Ų | 131 | 54 Ų | 54 | 70% | 0.701 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -52.3 | -33.2 | 176.7 | -79.6 | -23.7 | 0 | 0 | 0 | 113.1 | T138 | D97-T138 VanDerWaalsContact OD2-CB 3.3Å; D97-T138 WeakPolarHBondContact OD2-CB 3.35Å; D97-T138 WeakPolarHBondContact OD2-CG2 3.19Å |
| 98 | Y | 82.6 | Confident | 82.4 | Confident | 73 Ų | 73 | 54.2 Ų | 54.2 | 29% | 0.286 | 28% | 0.28 | S | S | . | . | trans | -85.6 | 120.2 | 180 | -166.4 | -85.1 | 0 | 0 | 0 | 111.6 | M96 F128 P140 T143 | M96-Y98 PolarHBondContact O-N 2.99Å; M96-Y98 VanDerWaalsContact O-N 3.11Å; Y98-F128 HydrophobicContact CD1-CE1 4.44Å; Y98-F128 AromaticContact CD1-CZ 3.78Å; Y98-F128 HydrophobicContact CD1-CZ 3.78Å; Y98-F128 HydrophobicContact CG-CE1 4.25Å; Y98-F128 HydrophobicContact CG-CZ 4.05Å; Y98-P140 HydrophobicContact CD1-CG 4.21Å; Y98-P140 HydrophobicContact CD2-CG 3.87Å; Y98-P140 HydrophobicContact CE1-CG 4.19Å; Y98-P140 HydrophobicContact CE2-CG 3.84Å; Y98-P140 HydrophobicContact CG-CG 4.05Å; Y98-T143 PolarHBondContact OH-OG1 3.47Å | ||
| 99 | K | 81.9 | Confident | 82.7 | Confident | 115 Ų | 115 | 54.8 Ų | 54.8 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | trans | -108.5 | 126.8 | 179.3 | -171.8 | 172.9 | -176 | 166.4 | 0 | 110.7 | N80 | N80-K99 WeakPolarHBondContact O-CE 3.29Š| ||
| 100 | L | 84.1 | Confident | 82.9 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | trans | -71.2 | 157.7 | 175.4 | -74.3 | 149.2 | 0 | 0 | 0 | 111.2 | G81 V104 V118 D120 C126 | G81-L100 PolarHBondContact O-N 3.31Å; L100-V104 HydrophobicContact CD1-CG2 3.86Å; L100-V118 HydrophobicContact CD1-CB 4.41Å; L100-V118 HydrophobicContact CD1-CG1 3.51Å; L100-D120 HydrophobicContact CB-CB 4.12Å; L100-D120 HydrophobicContact CD2-CB 4.34Å; L100-C126 HydrophobicContact CD2-CB 4.45Å | ||
| 101 | E | 81.6 | Confident | 83.1 | Confident | 130 Ų | 130 | 52.3 Ų | 52.3 | 61% | 0.607 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -76.5 | -32.6 | -178.7 | -69 | -166.7 | -159 | 0 | 0 | 112.1 | D120 K122 | E101-D120 PolarHBondContact N-OD2 2.93Å; E101-D120 VanDerWaalsContact N-OD2 3.15Å; E101-K122 HydrophobicContact CB-CD 4Å; E101-K122 WeakPolarHBondContact O-CE 3.21Å; E101-K122 PolarHBondContact O-NZ 3.17Å |
| 102 | G | 85.1 | Confident | 83.3 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -104.5 | -174.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G81 D120 D121 | G81-G102 WeakPolarHBondContact CA-O 3.43Å; G81-G102 PolarHBondContact N-O 3.12Å; G102-D120 PolarHBondContact N-OD2 2.86Å; G102-D121 WeakPolarHBondContact CA-OD1 3.29Å |
| 103 | S | 89.4 | Confident | 83.3 | Confident | 28 Ų | 28 | 44.3 Ų | 44.3 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | trans | -70.7 | 126.9 | 167.9 | 172.7 | 0 | 0 | 0 | 0 | 109.7 | T63 N79 I105 D120 D121 | T63-S103 WeakPolarHBondContact CG2-OG 3.14Å; N79-S103 WeakPolarHBondContact CA-OG 3.23Å; S103-I105 PolarHBondContact O-N 3.43Å; S103-D120 CarbonylContact O-C 3.05Å; S103-D120 WeakPolarHBondContact O-CA 3.41Å; S103-D120 WeakPolarHBondContact O-CB 3.35Å; S103-D121 PolarHBondContact N-OD1 3.4Å; S103-D121 PolarHBondContact O-N 2.86Å | ||
| 104 | V | 90.3 | Very high | 83.2 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 131 | 176.1 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | T63 W78 L100 L107 V118 T119 | T63-V104 WeakPolarHBondContact CB-O 3.19Å; T63-V104 PolarHBondContact OG1-O 2.89Å; W78-V104 PolarHBondContact O-N 2.98Å; L100-V104 HydrophobicContact CD1-CG2 3.86Å; V104-L107 HydrophobicContact CG1-CD2 4.48Å; V104-L107 HydrophobicContact CG1-CG 4.43Å; V104-V118 HydrophobicContact CG1-CG1 3.79Å; V104-T119 CarbonylContact C-O 3.54Å; V104-T119 WeakPolarHBondContact CA-O 3.22Å |
| 105 | I | 86 | Confident | 83 | Confident | 45 Ų | 45 | 43.4 Ų | 43.4 | 23% | 0.231 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -46.5 | -179.8 | -75.5 | -177.2 | 0 | 0 | 0 | 111.6 | C64 S103 T119 D121 I150 | C64-I105 PolarHBondContact SG-O 3.24Å; C64-I105 VanDerWaalsContact SG-O 3.33Å; S103-I105 PolarHBondContact O-N 3.43Å; I105-T119 PolarHBondContact N-O 3.48Å; I105-D121 HydrophobicContact CD1-CB 3.78Å; I105-D121 HydrophobicContact CG1-CB 4.24Å; I105-I150 WeakPolarHBondContact CD1-O 3.23Å |
| 106 | S | 85.5 | Confident | 83 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 6% | 0.063 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.1 | -173.6 | 67.9 | 0 | 0 | 0 | 0 | 112.4 | V118 T119 A153 | S106-V118 WeakPolarHBondContact O-CA 3.33Å; S106-T119 PolarHBondContact O-N 2.85Å; S106-T119 PolarHBondContact OG-OG1 3.08Å; S106-A153 WeakPolarHBondContact OG-CB 3.21Å |
| 107 | L | 89.8 | Confident | 83.2 | Confident | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 107.3 | 165.7 | -72.7 | 174.7 | 0 | 0 | 0 | 109.1 | S66 L75 T83 V104 V116 V118 | S66-L107 VanDerWaalsContact CB-O 3.27Å; S66-L107 WeakPolarHBondContact CB-O 3.47Å; S66-L107 PolarHBondContact OG-O 2.96Å; L75-L107 HydrophobicContact CB-CD1 3.75Å; T83-L107 HydrophobicContact CG2-CD1 4.29Å; T83-L107 HydrophobicContact CG2-CD2 3.81Å; V104-L107 HydrophobicContact CG1-CD2 4.48Å; V104-L107 HydrophobicContact CG1-CG 4.43Å; L107-V116 HydrophobicContact CD2-CG2 4.29Å; L107-V118 HydrophobicContact CD2-CB 4.35Å; L107-V118 HydrophobicContact CD2-CG1 3.83Å; L107-V118 HydrophobicContact CD2-CG2 3.8Å |
| 108 | V | 86.8 | Confident | 83.7 | Confident | 25 Ų | 25 | 33.4 Ų | 33.4 | 15% | 0.152 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 107.8 | -176.3 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | V116 F117 M155 | V108-V116 WeakPolarHBondContact O-CA 3.33Å; V108-F117 HydrophobicContact CB-CB 4.42Å; V108-F117 PolarHBondContact N-O 2.79Å; V108-F117 PolarHBondContact O-N 3.4Å; V108-M155 HydrophobicContact CG1-CB 3.6Å |
| 109 | W | 86.3 | Confident | 84 | Confident | 15 Ų | 15 | 29.9 Ų | 29.9 | 6% | 0.057 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 151.6 | 171.3 | -72.6 | 106 | 0 | 0 | 0 | 111.9 | S66 W67 H68 I73 L75 G113 V116 W130 M155 | S66-W109 PolarHBondContact O-NE1 3.25Å; W67-W109 VanDerWaalsContact C-NE1 3.34Å; W67-W109 PolarHBondContact O-NE1 2.77Å; H68-W109 HydrophobicContact CB-CD2 4.41Å; H68-W109 HydrophobicContact CB-CH2 4.07Å; H68-W109 HydrophobicContact CB-CZ2 3.61Å; H68-W109 AromaticContact CD2-CE3 4Å; H68-W109 AromaticContact CD2-CH2 3.68Å; H68-W109 AromaticContact CD2-CZ3 3.65Å; I73-W109 HydrophobicContact CG2-CZ2 4.16Å; L75-W109 HydrophobicContact CD1-CD2 4.2Å; L75-W109 VanDerWaalsContact CD1-CE2 3.46Å; L75-W109 HydrophobicContact CD1-CH2 4.01Å; L75-W109 HydrophobicContact CD1-CZ2 3.4Å; L75-W109 HydrophobicContact CD2-CZ2 4.2Å; L75-W109 HydrophobicContact CG-CH2 4.32Å; L75-W109 HydrophobicContact CG-CZ2 3.48Å; L75-W109 VanDerWaalsContact CG-CZ2 3.48Å; W109-G113 VanDerWaalsContact CZ3-O 3.28Å; W109-G113 WeakPolarHBondContact CZ3-O 3.3Å; W109-V116 HydrophobicContact CD2-CB 4.33Å; W109-V116 HydrophobicContact CE3-CB 4.11Å; W109-W130 AromaticContact CH2-CD2 3.69Å; W109-W130 HydrophobicContact CH2-CD2 3.69Å; W109-W130 AromaticContact CH2-CE3 3.38Å; W109-W130 HydrophobicContact CH2-CE3 3.38Å; W109-W130 HydrophobicContact CH2-CG 4.28Å; W109-W130 HydrophobicContact CH2-CH2 4.25Å; W109-W130 AromaticContact CH2-CZ3 3.66Å; W109-W130 HydrophobicContact CH2-CZ3 3.66Å; W109-W130 HydrophobicContact CZ2-CZ3 4.48Å; W109-W130 HydrophobicContact CZ3-CB 4.11Å; W109-W130 AromaticContact CZ3-CD2 3.88Å; W109-W130 HydrophobicContact CZ3-CD2 3.88Å; W109-W130 AromaticContact CZ3-CE3 3.79Å; W109-W130 HydrophobicContact CZ3-CE3 3.79Å; W109-W130 AromaticContact CZ3-CG 4Å; W109-W130 HydrophobicContact CZ3-CG 4Å; W109-W130 HydrophobicContact CZ3-CZ3 4.5Å; W109-M155 VanDerWaalsContact O-CE 3.23Å; W109-M155 WeakPolarHBondContact O-CE 3.39Å |
| 110 | T | 79.8 | Confident | 84.4 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | trans | -71.6 | 156.2 | 165.2 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | D112 G113 Q114 S115 M155 E205 Y207 R223 | T110-D112 VanDerWaalsContact CB-OD1 3.28Å; T110-D112 WeakPolarHBondContact CB-OD1 3.21Å; T110-D112 PolarHBondContact O-N 2.92Å; T110-D112 VanDerWaalsContact O-N 3.08Å; T110-D112 PolarHBondContact OG1-OD1 2.92Å; T110-G113 PolarHBondContact O-N 3.37Å; T110-G113 PolarHBondContact OG1-N 3.32Å; T110-Q114 PolarHBondContact OG1-N 3.33Å; T110-Q114 VanDerWaalsContact OG1-N 3.09Å; T110-S115 WeakPolarHBondContact CG2-O 3.49Å; T110-S115 VanDerWaalsContact CG2-OG 3.28Å; T110-S115 WeakPolarHBondContact CG2-OG 3.4Å; T110-S115 PolarHBondContact N-O 2.85Å; T110-S115 PolarHBondContact OG1-N 3.27Å; T110-S115 VanDerWaalsContact OG1-N 3.12Å; T110-S115 PolarHBondContact OG1-O 3.37Å; T110-M155 HydrophobicContact CG2-SD 4.48Å; T110-E205 WeakPolarHBondContact CB-OE1 3.47Å; T110-E205 VanDerWaalsContact CG2-CD 3.45Å; T110-E205 WeakPolarHBondContact CG2-OE1 3.47Å; T110-E205 WeakPolarHBondContact CG2-OE2 3.32Å; T110-Y207 WeakPolarHBondContact CG2-OH 3.37Å; T110-R223 PolarHBondContact OG1-NH2 2.91Å | ||
| 111 | L | 74.9 | Confident | 84.5 | Confident | 107 Ų | 107 | 27.1 Ų | 27.1 | 56% | 0.56 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25.4 | -178.2 | -69.7 | 179.4 | 0 | 0 | 0 | 113.4 | Y70 M155 | Y70-L111 PolarHBondContact OH-O 2.81Å; L111-M155 HydrophobicContact CD2-CE 3.82Å; L111-M155 HydrophobicContact CG-CE 3.71Å; L111-M155 HydrophobicContact CG-SD 4.46Å |
| 112 | D | 74.5 | Confident | 84.6 | Confident | 28 Ų | 28 | 26.6 Ų | 26.6 | 15% | 0.15 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 0.4 | 179.7 | 73.9 | -21 | 0 | 0 | 0 | 114.1 | T110 Q114 R223 | T110-D112 VanDerWaalsContact CB-OD1 3.28Å; T110-D112 WeakPolarHBondContact CB-OD1 3.21Å; T110-D112 PolarHBondContact O-N 2.92Å; T110-D112 VanDerWaalsContact O-N 3.08Å; T110-D112 PolarHBondContact OG1-OD1 2.92Å; D112-Q114 VanDerWaalsContact C-N 3.29Å; D112-Q114 PolarHBondContact O-N 2.89Å; D112-Q114 PolarHBondContact OD1-N 3.4Å; D112-Q114 VanDerWaalsContact OD1-N 3.12Å; D112-Q114 VanDerWaalsContact OD2-CG 3.26Å; D112-Q114 WeakPolarHBondContact OD2-CG 3.47Å; D112-Q114 PolarHBondContact OD2-NE2 3.28Å; D112-R223 IonicContact OD1-CZ 2.58Å; D112-R223 IonicContact OD1-NH1 3.44Å; D112-R223 IonicContact OD1-NH2 2.71Å; D112-R223 PolarHBondContact OD1-NH2 2.99Å; D112-R223 IonicContact OD2-CZ 2.67Å; D112-R223 IonicContact OD2-NH1 2.74Å; D112-R223 PolarHBondContact OD2-NH1 3.14Å; D112-R223 IonicContact OD2-NH2 3.37Å; D112-R223 PolarHBondContact OD2-NH2 3.47Å |
| 113 | G | 78.7 | Confident | 84.4 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 75 | -2.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 117 | H68 W109 T110 S115 W130 | H68-G113 WeakPolarHBondContact NE2-CA 3.37Å; W109-G113 VanDerWaalsContact CZ3-O 3.28Å; W109-G113 WeakPolarHBondContact CZ3-O 3.3Å; T110-G113 PolarHBondContact O-N 3.37Å; T110-G113 PolarHBondContact OG1-N 3.32Å; G113-S115 PolarHBondContact O-N 3.2Å; G113-W130 VanDerWaalsContact O-CB 3.29Å; G113-W130 WeakPolarHBondContact O-CB 3.49Å |
| 114 | Q | 79.5 | Confident | 84.1 | Confident | 98 Ų | 98 | 25.3 Ų | 25.3 | 46% | 0.458 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -76.8 | -12.8 | -171.6 | -67.3 | -179.8 | 37.3 | 0 | 0 | 115.5 | T110 D112 W130 | T110-Q114 PolarHBondContact OG1-N 3.33Å; T110-Q114 VanDerWaalsContact OG1-N 3.09Å; D112-Q114 VanDerWaalsContact C-N 3.29Å; D112-Q114 PolarHBondContact O-N 2.89Å; D112-Q114 PolarHBondContact OD1-N 3.4Å; D112-Q114 VanDerWaalsContact OD1-N 3.12Å; D112-Q114 VanDerWaalsContact OD2-CG 3.26Å; D112-Q114 WeakPolarHBondContact OD2-CG 3.47Å; D112-Q114 PolarHBondContact OD2-NE2 3.28Å; Q114-W130 WeakPolarHBondContact O-CB 3.25Å; Q114-W130 PolarHBondContact O-N 3.36Å |
| 115 | S | 79.9 | Confident | 83.9 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 161.9 | 170.6 | 34.7 | 0 | 0 | 0 | 0 | 112.9 | T110 G113 F128 | T110-S115 WeakPolarHBondContact CG2-O 3.49Å; T110-S115 VanDerWaalsContact CG2-OG 3.28Å; T110-S115 WeakPolarHBondContact CG2-OG 3.4Å; T110-S115 PolarHBondContact N-O 2.85Å; T110-S115 PolarHBondContact OG1-N 3.27Å; T110-S115 VanDerWaalsContact OG1-N 3.12Å; T110-S115 PolarHBondContact OG1-O 3.37Å; G113-S115 PolarHBondContact O-N 3.2Å; S115-F128 WeakPolarHBondContact CA-O 3.24Å; S115-F128 WeakPolarHBondContact CB-O 3.33Å |
| 116 | V | 85 | Confident | 83.9 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.8 | 173.8 | 60.2 | 0 | 0 | 0 | 0 | 110.6 | L75 L107 V108 W109 V118 V127 F128 | L75-V116 HydrophobicContact CD1-CB 3.97Å; L75-V116 HydrophobicContact CD1-CG1 3.88Å; L75-V116 HydrophobicContact CD1-CG2 3.69Å; L107-V116 HydrophobicContact CD2-CG2 4.29Å; V108-V116 WeakPolarHBondContact O-CA 3.33Å; W109-V116 HydrophobicContact CD2-CB 4.33Å; W109-V116 HydrophobicContact CE3-CB 4.11Å; V116-V118 HydrophobicContact CG1-CG2 4.29Å; V116-V118 HydrophobicContact CG2-CG2 4.15Å; V116-V127 WeakPolarHBondContact O-CA 3.24Å; V116-F128 HydrophobicContact CG1-CB 3.9Å; V116-F128 PolarHBondContact N-O 3.26Å; V116-F128 PolarHBondContact O-N 2.7Å |
| 117 | F | 87.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 128.4 | 172.6 | -178.7 | -89.9 | 0 | 0 | 0 | 109.8 | V108 T119 V125 V127 A153 Y207 F209 I219 | V108-F117 HydrophobicContact CB-CB 4.42Å; V108-F117 PolarHBondContact N-O 2.79Å; V108-F117 PolarHBondContact O-N 3.4Å; F117-T119 HydrophobicContact CD1-CG2 4Å; F117-T119 HydrophobicContact CE1-CG2 3.29Å; F117-T119 HydrophobicContact CZ-CG2 3.87Å; F117-V125 HydrophobicContact CD2-CG1 4.12Å; F117-V125 HydrophobicContact CE1-CG1 4.25Å; F117-V125 HydrophobicContact CE2-CG1 3.26Å; F117-V125 HydrophobicContact CZ-CG1 3.34Å; F117-V127 HydrophobicContact CB-CG2 4.27Å; F117-V127 HydrophobicContact CD2-CG2 3.54Å; F117-V127 HydrophobicContact CE2-CG2 4.39Å; F117-V127 HydrophobicContact CG-CG2 4.33Å; F117-A153 HydrophobicContact CD1-CB 4.23Å; F117-A153 HydrophobicContact CE1-CB 3.69Å; F117-Y207 HydrophobicContact CB-CD1 3.48Å; F117-Y207 VanDerWaalsContact CB-CD1 3.48Å; F117-Y207 HydrophobicContact CB-CD2 4.4Å; F117-Y207 HydrophobicContact CB-CE1 3.43Å; F117-Y207 VanDerWaalsContact CB-CE1 3.43Å; F117-Y207 HydrophobicContact CB-CE2 4.34Å; F117-Y207 HydrophobicContact CB-CG 3.99Å; F117-Y207 HydrophobicContact CD1-CD1 4.2Å; F117-Y207 HydrophobicContact CD1-CG 4.34Å; F117-Y207 VanDerWaalsContact CD2-CB 3.44Å; F117-Y207 AromaticContact CD2-CD1 3.68Å; F117-Y207 HydrophobicContact CD2-CD1 3.68Å; F117-Y207 AromaticContact CD2-CD2 3.44Å; F117-Y207 HydrophobicContact CD2-CD2 3.44Å; F117-Y207 VanDerWaalsContact CD2-CD2 3.44Å; F117-Y207 HydrophobicContact CD2-CE1 4.25Å; F117-Y207 HydrophobicContact CD2-CE2 4.02Å; F117-Y207 AromaticContact CD2-CG 3.22Å; F117-Y207 HydrophobicContact CD2-CG 3.22Å; F117-Y207 HydrophobicContact CE2-CD1 4.42Å; F117-Y207 AromaticContact CE2-CD2 3.95Å; F117-Y207 HydrophobicContact CE2-CD2 3.95Å; F117-Y207 AromaticContact CE2-CG 3.66Å; F117-Y207 HydrophobicContact CE2-CG 3.66Å; F117-Y207 AromaticContact CG-CD1 3.55Å; F117-Y207 HydrophobicContact CG-CD1 3.55Å; F117-Y207 HydrophobicContact CG-CD2 4.18Å; F117-Y207 HydrophobicContact CG-CE1 4.03Å; F117-Y207 AromaticContact CG-CG 3.63Å; F117-Y207 HydrophobicContact CG-CG 3.63Å; F117-Y207 HydrophobicContact CZ-CG 4.37Å; F117-F209 HydrophobicContact CZ-CD1 4.05Å; F117-I219 HydrophobicContact CE2-CD1 4.18Å; F117-I219 HydrophobicContact CZ-CD1 4.49Å |
| 118 | V | 88.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 133.2 | -172.2 | -165 | 0 | 0 | 0 | 0 | 109.2 | L100 V104 S106 L107 V116 C126 F128 | L100-V118 HydrophobicContact CD1-CB 4.41Å; L100-V118 HydrophobicContact CD1-CG1 3.51Å; V104-V118 HydrophobicContact CG1-CG1 3.79Å; S106-V118 WeakPolarHBondContact O-CA 3.33Å; L107-V118 HydrophobicContact CD2-CB 4.35Å; L107-V118 HydrophobicContact CD2-CG1 3.83Å; L107-V118 HydrophobicContact CD2-CG2 3.8Å; V116-V118 HydrophobicContact CG1-CG2 4.29Å; V116-V118 HydrophobicContact CG2-CG2 4.15Å; V118-C126 PolarHBondContact N-O 3.49Å; V118-C126 PolarHBondContact O-N 3.41Å; V118-C126 VanDerWaalsContact O-O 3.12Å; V118-F128 HydrophobicContact CB-CD2 4.47Å; V118-F128 HydrophobicContact CB-CE2 4.29Å; V118-F128 HydrophobicContact CG2-CD2 3.68Å; V118-F128 HydrophobicContact CG2-CE2 3.92Å |
| 119 | T | 89.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 156.3 | 177.5 | 65.4 | 0 | 0 | 0 | 0 | 111.5 | V104 I105 S106 F117 S124 V125 I150 A153 | V104-T119 CarbonylContact C-O 3.54Å; V104-T119 WeakPolarHBondContact CA-O 3.22Å; I105-T119 PolarHBondContact N-O 3.48Å; S106-T119 PolarHBondContact O-N 2.85Å; S106-T119 PolarHBondContact OG-OG1 3.08Å; F117-T119 HydrophobicContact CD1-CG2 4Å; F117-T119 HydrophobicContact CE1-CG2 3.29Å; F117-T119 HydrophobicContact CZ-CG2 3.87Å; T119-S124 CarbonylContact C-O 3.57Å; T119-S124 WeakPolarHBondContact CA-O 3.4Å; T119-V125 HydrophobicContact CG2-CG1 4.34Å; T119-V125 HydrophobicContact CG2-CG2 4.17Å; T119-I150 HydrophobicContact CG2-CD1 4.12Å; T119-I150 HydrophobicContact CG2-CG2 4.4Å; T119-A153 HydrophobicContact CG2-CB 4.24Å |
| 120 | D | 89.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 165.5 | 171.4 | 79.4 | 20.1 | 0 | 0 | 0 | 114.2 | L100 E101 G102 S103 K122 A123 S124 | L100-D120 HydrophobicContact CB-CB 4.12Å; L100-D120 HydrophobicContact CD2-CB 4.34Å; E101-D120 PolarHBondContact N-OD2 2.93Å; E101-D120 VanDerWaalsContact N-OD2 3.15Å; G102-D120 PolarHBondContact N-OD2 2.86Å; S103-D120 CarbonylContact O-C 3.05Å; S103-D120 WeakPolarHBondContact O-CA 3.41Å; S103-D120 WeakPolarHBondContact O-CB 3.35Å; D120-K122 PolarHBondContact O-N 3.49Å; D120-K122 VanDerWaalsContact OD1-CA 3.29Å; D120-K122 WeakPolarHBondContact OD1-CA 3.36Å; D120-K122 WeakPolarHBondContact OD1-CB 3.43Å; D120-K122 PolarHBondContact OD1-N 3.3Å; D120-A123 PolarHBondContact O-N 2.86Å; D120-A123 VanDerWaalsContact O-N 3.09Å; D120-A123 PolarHBondContact OD1-N 3.23Å; D120-S124 VanDerWaalsContact CG-CB 3.47Å; D120-S124 VanDerWaalsContact CG-OG 3.26Å; D120-S124 PolarHBondContact N-O 3.45Å; D120-S124 WeakPolarHBondContact OD1-CB 3.33Å; D120-S124 PolarHBondContact OD1-N 2.87Å; D120-S124 PolarHBondContact OD1-OG 3.21Å; D120-S124 WeakPolarHBondContact OD2-CB 3.5Å; D120-S124 PolarHBondContact OD2-OG 2.95Å |
| 121 | D | 85.7 | Confident | 82.5 | Confident | 65 Ų | 65 | 28.2 Ų | 28.2 | 35% | 0.348 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -14.2 | 179.4 | 74.9 | -23.5 | 0 | 0 | 0 | 114.5 | G102 S103 I105 A123 N149 | G102-D121 WeakPolarHBondContact CA-OD1 3.29Å; S103-D121 PolarHBondContact N-OD1 3.4Å; S103-D121 PolarHBondContact O-N 2.86Å; I105-D121 HydrophobicContact CD1-CB 3.78Å; I105-D121 HydrophobicContact CG1-CB 4.24Å; D121-A123 VanDerWaalsContact C-N 3.29Å; D121-N149 WeakPolarHBondContact O-CB 3.4Å; D121-N149 VanDerWaalsContact O-CG 3.29Å; D121-N149 PolarHBondContact O-ND2 3.07Å |
| 122 | K | 83.5 | Confident | 81.9 | Confident | 120 Ų | 120 | 32.6 Ų | 32.6 | 52% | 0.522 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 11.8 | 171.8 | -66.2 | -176.4 | -170.5 | 165.9 | 0 | 113 | E101 D120 S124 | E101-K122 HydrophobicContact CB-CD 4Å; E101-K122 WeakPolarHBondContact O-CE 3.21Å; E101-K122 PolarHBondContact O-NZ 3.17Å; D120-K122 PolarHBondContact O-N 3.49Å; D120-K122 VanDerWaalsContact OD1-CA 3.29Å; D120-K122 WeakPolarHBondContact OD1-CA 3.36Å; D120-K122 WeakPolarHBondContact OD1-CB 3.43Å; D120-K122 PolarHBondContact OD1-N 3.3Å; K122-S124 VanDerWaalsContact C-N 3.34Å |
| 123 | A | 81.5 | Confident | 81.2 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | trans | 70.3 | 21 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116 | D120 D121 N145 V146 T148 I150 | D120-A123 PolarHBondContact O-N 2.86Å; D120-A123 VanDerWaalsContact O-N 3.09Å; D120-A123 PolarHBondContact OD1-N 3.23Å; D121-A123 VanDerWaalsContact C-N 3.29Å; A123-N145 WeakPolarHBondContact O-CA 3.49Å; A123-V146 HydrophobicContact CB-CB 4.09Å; A123-V146 WeakPolarHBondContact CB-O 3.37Å; A123-V146 PolarHBondContact O-N 3.13Å; A123-T148 WeakPolarHBondContact CB-O 3.42Å; A123-I150 HydrophobicContact CB-CD1 4.41Å; A123-I150 HydrophobicContact CB-CG1 4.12Å | ||
| 124 | S | 84.4 | Confident | 80.1 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.028 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 129.4 | 164.7 | -36.1 | 0 | 0 | 0 | 0 | 109.3 | T119 D120 K122 | T119-S124 CarbonylContact C-O 3.57Å; T119-S124 WeakPolarHBondContact CA-O 3.4Å; D120-S124 VanDerWaalsContact CG-CB 3.47Å; D120-S124 VanDerWaalsContact CG-OG 3.26Å; D120-S124 PolarHBondContact N-O 3.45Å; D120-S124 WeakPolarHBondContact OD1-CB 3.33Å; D120-S124 PolarHBondContact OD1-N 2.87Å; D120-S124 PolarHBondContact OD1-OG 3.21Å; D120-S124 WeakPolarHBondContact OD2-CB 3.5Å; D120-S124 PolarHBondContact OD2-OG 2.95Å; K122-S124 VanDerWaalsContact C-N 3.34Å |
| 125 | V | 85.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.1 | 170.2 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | F117 T119 F142 T143 L144 V146 I150 F209 I219 | F117-V125 HydrophobicContact CD2-CG1 4.12Å; F117-V125 HydrophobicContact CE1-CG1 4.25Å; F117-V125 HydrophobicContact CE2-CG1 3.26Å; F117-V125 HydrophobicContact CZ-CG1 3.34Å; T119-V125 HydrophobicContact CG2-CG1 4.34Å; T119-V125 HydrophobicContact CG2-CG2 4.17Å; V125-F142 HydrophobicContact CG1-CE2 4.43Å; V125-T143 CarbonylContact O-C 3.3Å; V125-T143 VanDerWaalsContact O-CA 3.3Å; V125-T143 WeakPolarHBondContact O-CA 3.46Å; V125-L144 HydrophobicContact CB-CB 4.45Å; V125-L144 PolarHBondContact N-O 3.17Å; V125-L144 PolarHBondContact O-N 3.01Å; V125-V146 HydrophobicContact CG2-CG2 4.32Å; V125-I150 HydrophobicContact CG2-CD1 3.4Å; V125-I150 VanDerWaalsContact CG2-CD1 3.4Å; V125-F209 HydrophobicContact CG2-CE1 4.4Å; V125-F209 HydrophobicContact CG2-CE2 4.39Å; V125-F209 HydrophobicContact CG2-CZ 4.16Å; V125-I219 HydrophobicContact CB-CD1 4.22Å; V125-I219 HydrophobicContact CG1-CD1 3.69Å; V125-I219 HydrophobicContact CG2-CD1 4.36Å |
| 126 | C | 85.5 | Confident | 78.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 143.3 | 175.7 | -71.4 | 0 | 0 | 0 | 0 | 110.8 | L100 V118 F128 P140 F142 T143 | L100-C126 HydrophobicContact CD2-CB 4.45Å; V118-C126 PolarHBondContact N-O 3.49Å; V118-C126 PolarHBondContact O-N 3.41Å; V118-C126 VanDerWaalsContact O-O 3.12Å; C126-F128 HydrophobicContact CB-CD2 4.28Å; C126-F128 HydrophobicContact CB-CE2 3.54Å; C126-F128 HydrophobicContact CB-CZ 4.11Å; C126-P140 HydrophobicContact CB-CB 3.92Å; C126-F142 WeakPolarHBondContact CA-O 3.4Å; C126-T143 PolarHBondContact SG-OG1 3.25Å |
| 127 | V | 84.7 | Confident | 77.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.2 | 164.6 | 173.7 | 0 | 0 | 0 | 0 | 109 | V116 F117 P140 I141 F142 Y207 Y221 | V116-V127 WeakPolarHBondContact O-CA 3.24Å; F117-V127 HydrophobicContact CB-CG2 4.27Å; F117-V127 HydrophobicContact CD2-CG2 3.54Å; F117-V127 HydrophobicContact CE2-CG2 4.39Å; F117-V127 HydrophobicContact CG-CG2 4.33Å; V127-P140 CarbonylContact O-C 3.51Å; V127-P140 WeakPolarHBondContact O-CA 3.32Å; V127-P140 WeakPolarHBondContact O-CB 3.44Å; V127-I141 HydrophobicContact CG1-CD1 3.96Å; V127-I141 WeakPolarHBondContact O-CG1 3.19Å; V127-I141 PolarHBondContact O-N 3.34Å; V127-F142 HydrophobicContact CB-CD1 4.19Å; V127-F142 HydrophobicContact CB-CE1 3.56Å; V127-F142 HydrophobicContact CB-CZ 3.95Å; V127-F142 HydrophobicContact CG1-CE1 4.47Å; V127-F142 HydrophobicContact CG2-CD1 4.46Å; V127-F142 HydrophobicContact CG2-CE1 3.42Å; V127-F142 VanDerWaalsContact CG2-CE1 3.42Å; V127-F142 HydrophobicContact CG2-CE2 4.37Å; V127-F142 HydrophobicContact CG2-CZ 3.36Å; V127-F142 PolarHBondContact N-O 3.36Å; V127-Y207 HydrophobicContact CG2-CD2 4.45Å; V127-Y207 HydrophobicContact CG2-CE2 4.1Å; V127-Y221 HydrophobicContact CG1-CD1 4.38Å; V127-Y221 HydrophobicContact CG1-CE1 4.17Å |
| 128 | F | 84.5 | Confident | 76.4 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 146 | 176 | -66.4 | -91.8 | 0 | 0 | 0 | 110.6 | M96 Y98 S115 V116 V118 C126 I136 P140 | M96-F128 HydrophobicContact CE-CD1 3.68Å; M96-F128 HydrophobicContact CE-CD2 3.59Å; M96-F128 HydrophobicContact CE-CE1 3.51Å; M96-F128 HydrophobicContact CE-CE2 3.42Å; M96-F128 VanDerWaalsContact CE-CE2 3.42Å; M96-F128 HydrophobicContact CE-CG 3.71Å; M96-F128 HydrophobicContact CE-CZ 3.38Å; Y98-F128 HydrophobicContact CD1-CE1 4.44Å; Y98-F128 AromaticContact CD1-CZ 3.78Å; Y98-F128 HydrophobicContact CD1-CZ 3.78Å; Y98-F128 HydrophobicContact CG-CE1 4.25Å; Y98-F128 HydrophobicContact CG-CZ 4.05Å; S115-F128 WeakPolarHBondContact CA-O 3.24Å; S115-F128 WeakPolarHBondContact CB-O 3.33Å; V116-F128 HydrophobicContact CG1-CB 3.9Å; V116-F128 PolarHBondContact N-O 3.26Å; V116-F128 PolarHBondContact O-N 2.7Å; V118-F128 HydrophobicContact CB-CD2 4.47Å; V118-F128 HydrophobicContact CB-CE2 4.29Å; V118-F128 HydrophobicContact CG2-CD2 3.68Å; V118-F128 HydrophobicContact CG2-CE2 3.92Å; C126-F128 HydrophobicContact CB-CD2 4.28Å; C126-F128 HydrophobicContact CB-CE2 3.54Å; C126-F128 HydrophobicContact CB-CZ 4.11Å; F128-I136 HydrophobicContact CB-CG2 4.01Å; F128-I136 HydrophobicContact CD1-CG2 3.8Å; F128-I136 HydrophobicContact CG-CG2 4.2Å; F128-P140 HydrophobicContact CD1-CB 4.12Å; F128-P140 HydrophobicContact CE1-CB 3.73Å; F128-P140 HydrophobicContact CE1-CG 4.19Å; F128-P140 HydrophobicContact CE2-CB 4.19Å; F128-P140 HydrophobicContact CZ-CB 3.77Å; F128-P140 HydrophobicContact CZ-CG 4.2Å |
| 129 | R | 80.4 | Confident | 75.5 | Confident | 72 Ų | 72 | 51.8 Ų | 51.8 | 27% | 0.272 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 132.4 | 173.3 | -159.5 | 171.1 | -57.8 | 162.4 | 9.4 | 109.9 | L131 G137 I141 E226 | R129-L131 HydrophobicContact CG-CD2 4.33Å; R129-G137 PolarHBondContact O-N 3.01Å; R129-G137 VanDerWaalsContact O-N 3.1Å; R129-I141 HydrophobicContact CB-CD1 3.77Å; R129-I141 HydrophobicContact CB-CG1 4.16Å; R129-I141 HydrophobicContact CG-CD1 4.41Å; R129-E226 IonicContact CZ-OE1 2.61Å; R129-E226 IonicContact CZ-OE2 3.47Å; R129-E226 IonicContact NE-OE1 2.7Å; R129-E226 IonicContact NH1-OE1 3.61Å; R129-E226 PolarHBondContact NH1-OE1 2.8Å; R129-E226 IonicContact NH1-OE2 2.7Å; R129-E226 PolarHBondContact NH1-OE2 3.39Å; R129-E226 IonicContact NH2-OE1 2.72Å; R129-E226 PolarHBondContact NH2-OE1 2.79Å; R129-E226 IonicContact NH2-OE2 3.05Å; R129-E226 PolarHBondContact NH2-OE2 2.82Å |
| 130 | W | 78.5 | Confident | 74.8 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 121.9 | 165.3 | -165.4 | -107.9 | 0 | 0 | 0 | 108.9 | I73 L75 V85 Y87 W109 G113 Q114 I136 | I73-W130 HydrophobicContact CD1-CH2 4.14Å; I73-W130 HydrophobicContact CD1-CZ2 3.43Å; I73-W130 VanDerWaalsContact CD1-CZ2 3.43Å; I73-W130 HydrophobicContact CG1-CZ2 4.25Å; I73-W130 HydrophobicContact CG2-CH2 3.67Å; I73-W130 HydrophobicContact CG2-CZ2 4.13Å; I73-W130 HydrophobicContact CG2-CZ3 4.37Å; L75-W130 HydrophobicContact CD2-CZ3 4.49Å; V85-W130 HydrophobicContact CG1-CH2 3.6Å; V85-W130 HydrophobicContact CG1-CZ3 3.9Å; Y87-W130 HydrophobicContact CE1-CH2 4.23Å; Y87-W130 AromaticContact CE1-CZ2 3.94Å; Y87-W130 HydrophobicContact CE1-CZ2 3.94Å; Y87-W130 HydrophobicContact CE2-CH2 4.49Å; Y87-W130 AromaticContact CZ-CH2 3.69Å; Y87-W130 AromaticContact CZ-CZ2 3.81Å; Y87-W130 WeakPolarHBondContact OH-CH2 3.47Å; Y87-W130 WeakPolarHBondContact OH-CZ2 3.38Å; W109-W130 AromaticContact CH2-CD2 3.69Å; W109-W130 HydrophobicContact CH2-CD2 3.69Å; W109-W130 AromaticContact CH2-CE3 3.38Å; W109-W130 HydrophobicContact CH2-CE3 3.38Å; W109-W130 HydrophobicContact CH2-CG 4.28Å; W109-W130 HydrophobicContact CH2-CH2 4.25Å; W109-W130 AromaticContact CH2-CZ3 3.66Å; W109-W130 HydrophobicContact CH2-CZ3 3.66Å; W109-W130 HydrophobicContact CZ2-CZ3 4.48Å; W109-W130 HydrophobicContact CZ3-CB 4.11Å; W109-W130 AromaticContact CZ3-CD2 3.88Å; W109-W130 HydrophobicContact CZ3-CD2 3.88Å; W109-W130 AromaticContact CZ3-CE3 3.79Å; W109-W130 HydrophobicContact CZ3-CE3 3.79Å; W109-W130 AromaticContact CZ3-CG 4Å; W109-W130 HydrophobicContact CZ3-CG 4Å; W109-W130 HydrophobicContact CZ3-CZ3 4.5Å; G113-W130 VanDerWaalsContact O-CB 3.29Å; G113-W130 WeakPolarHBondContact O-CB 3.49Å; Q114-W130 WeakPolarHBondContact O-CB 3.25Å; Q114-W130 PolarHBondContact O-N 3.36Å; W130-I136 HydrophobicContact CE3-CD1 3.94Å; W130-I136 HydrophobicContact CE3-CG1 3.41Å; W130-I136 VanDerWaalsContact CE3-CG1 3.41Å; W130-I136 HydrophobicContact CZ3-CD1 3.75Å; W130-I136 HydrophobicContact CZ3-CG1 3.45Å; W130-I136 VanDerWaalsContact CZ3-CG1 3.45Å |
| 131 | L | 71.5 | Confident | 74.1 | Confident | 70 Ų | 70 | 54.1 Ų | 54.1 | 37% | 0.366 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 137.7 | 176.1 | -59.1 | 173.9 | 0 | 0 | 0 | 109.1 | R129 N133 G134 D135 | R129-L131 HydrophobicContact CG-CD2 4.33Å; L131-N133 PolarHBondContact O-N 2.95Å; L131-G134 PolarHBondContact O-N 3.31Å; L131-G134 VanDerWaalsContact O-N 3.1Å; L131-D135 WeakPolarHBondContact CB-O 3.42Å; L131-D135 PolarHBondContact N-O 2.8Å |
| 132 | K | 61.3 | Low | 73.6 | Confident | 200 Ų | 200 | 51.7 Ų | 51.7 | 87% | 0.87 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -3.2 | -179.9 | -68 | -168.6 | 173.1 | -167.9 | 0 | 115.6 | ||
| 133 | N | 59.5 | Low | 73.3 | Confident | 145 Ų | 145 | 48.6 Ų | 48.6 | 78% | 0.775 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -4.6 | 179.3 | -62 | 15.9 | 0 | 0 | 0 | 112.7 | L131 | L131-N133 PolarHBondContact O-N 2.95Š|
| 134 | G | 56.5 | Low | 73.3 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 24% | 0.237 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 34.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y87 L131 | Y87-G134 VanDerWaalsContact OH-CA 3.23Å; Y87-G134 WeakPolarHBondContact OH-CA 3.41Å; Y87-G134 PolarHBondContact OH-O 2.9Å; L131-G134 PolarHBondContact O-N 3.31Å; L131-G134 VanDerWaalsContact O-N 3.1Å |
| 135 | D | 61.4 | Low | 73.1 | Confident | 86 Ų | 86 | 53.7 Ų | 53.7 | 46% | 0.46 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 140.8 | 176.8 | -88.9 | -45.2 | 0 | 0 | 0 | 111 | L131 | L131-D135 WeakPolarHBondContact CB-O 3.42Å; L131-D135 PolarHBondContact N-O 2.8Å |
| 136 | I | 65 | Low | 72.8 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 5% | 0.046 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 137.1 | 160.1 | -80.1 | -178.7 | 0 | 0 | 0 | 108.5 | L75 V85 M96 F128 W130 T138 | L75-I136 HydrophobicContact CD2-CD1 4.05Å; V85-I136 HydrophobicContact CG2-CD1 3.8Å; V85-I136 HydrophobicContact CG2-CG1 4.44Å; M96-I136 HydrophobicContact CE-CG2 4.39Å; M96-I136 HydrophobicContact CG-CB 4.35Å; M96-I136 HydrophobicContact CG-CD1 3.94Å; M96-I136 HydrophobicContact CG-CG2 4.01Å; M96-I136 HydrophobicContact SD-CD1 3.46Å; M96-I136 WeakPolarHBondContact SD-CD1 3.12Å; M96-I136 HydrophobicContact SD-CG2 4.24Å; F128-I136 HydrophobicContact CB-CG2 4.01Å; F128-I136 HydrophobicContact CD1-CG2 3.8Å; F128-I136 HydrophobicContact CG-CG2 4.2Å; W130-I136 HydrophobicContact CE3-CD1 3.94Å; W130-I136 HydrophobicContact CE3-CG1 3.41Å; W130-I136 VanDerWaalsContact CE3-CG1 3.41Å; W130-I136 HydrophobicContact CZ3-CD1 3.75Å; W130-I136 HydrophobicContact CZ3-CG1 3.45Å; W130-I136 VanDerWaalsContact CZ3-CG1 3.45Å; I136-T138 PolarHBondContact O-N 3.42Å; I136-T138 VanDerWaalsContact O-N 3.12Å |
| 137 | G | 64.5 | Low | 72.5 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | trans | -55.3 | 119.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | R129 K139 | R129-G137 PolarHBondContact O-N 3.01Å; R129-G137 VanDerWaalsContact O-N 3.1Å; G137-K139 CarbonylContact O-C 3.34Å; G137-K139 PolarHBondContact O-N 3.28Å | ||
| 138 | T | 62.7 | Low | 72.4 | Confident | 86 Ų | 86 | 63.2 Ų | 63.2 | 53% | 0.528 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -60.2 | -10.2 | -172.1 | 59.9 | 0 | 0 | 0 | 0 | 115 | D97 I136 | D97-T138 VanDerWaalsContact OD2-CB 3.3Å; D97-T138 WeakPolarHBondContact OD2-CB 3.35Å; D97-T138 WeakPolarHBondContact OD2-CG2 3.19Å; I136-T138 PolarHBondContact O-N 3.42Å; I136-T138 VanDerWaalsContact O-N 3.12Å |
| 139 | K | 70.4 | Confident | 72.4 | Confident | 164 Ų | 164 | 67.4 Ų | 67.4 | 71% | 0.713 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -123.6 | 141.6 | 168.3 | -64.8 | 179.3 | -179.2 | 178.3 | 0 | 109.5 | G137 | G137-K139 CarbonylContact O-C 3.34Å; G137-K139 PolarHBondContact O-N 3.28Å |
| 140 | P | 74.2 | Confident | 72.7 | Confident | 18 Ų | 18 | 64 Ų | 64 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | trans | -61.8 | 149 | 169.7 | 28.2 | -34.2 | 0 | 0 | 0 | 110.3 | Y98 C126 V127 F128 F142 T143 | Y98-P140 HydrophobicContact CD1-CG 4.21Å; Y98-P140 HydrophobicContact CD2-CG 3.87Å; Y98-P140 HydrophobicContact CE1-CG 4.19Å; Y98-P140 HydrophobicContact CE2-CG 3.84Å; Y98-P140 HydrophobicContact CG-CG 4.05Å; C126-P140 HydrophobicContact CB-CB 3.92Å; V127-P140 CarbonylContact O-C 3.51Å; V127-P140 WeakPolarHBondContact O-CA 3.32Å; V127-P140 WeakPolarHBondContact O-CB 3.44Å; F128-P140 HydrophobicContact CD1-CB 4.12Å; F128-P140 HydrophobicContact CE1-CB 3.73Å; F128-P140 HydrophobicContact CE1-CG 4.19Å; F128-P140 HydrophobicContact CE2-CB 4.19Å; F128-P140 HydrophobicContact CZ-CB 3.77Å; F128-P140 HydrophobicContact CZ-CG 4.2Å; P140-F142 VanDerWaalsContact C-N 3.27Å; P140-F142 PolarHBondContact O-N 3.43Å; P140-T143 VanDerWaalsContact CG-OG1 3.27Å; P140-T143 WeakPolarHBondContact CG-OG1 3.34Å | ||
| 141 | I | 76.3 | Confident | 72.9 | Confident | 31 Ų | 31 | 63.9 Ų | 63.9 | 16% | 0.159 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -64.7 | -37.7 | 178.9 | -49.6 | 177.1 | 0 | 0 | 0 | 110 | V127 R129 Y221 | V127-I141 HydrophobicContact CG1-CD1 3.96Å; V127-I141 WeakPolarHBondContact O-CG1 3.19Å; V127-I141 PolarHBondContact O-N 3.34Å; R129-I141 HydrophobicContact CB-CD1 3.77Å; R129-I141 HydrophobicContact CB-CG1 4.16Å; R129-I141 HydrophobicContact CG-CD1 4.41Å; I141-Y221 HydrophobicContact CD1-CE2 4.28Å; I141-Y221 WeakPolarHBondContact CD1-OH 3.46Å; I141-Y221 HydrophobicContact CG2-CE2 4.17Å |
| 142 | F | 74.7 | Confident | 73.5 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 6% | 0.057 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 154 | 164.9 | 67.3 | -89.1 | 0 | 0 | 0 | 109.6 | V125 C126 V127 P140 L144 I219 Y221 I229 V231 | V125-F142 HydrophobicContact CG1-CE2 4.43Å; C126-F142 WeakPolarHBondContact CA-O 3.4Å; V127-F142 HydrophobicContact CB-CD1 4.19Å; V127-F142 HydrophobicContact CB-CE1 3.56Å; V127-F142 HydrophobicContact CB-CZ 3.95Å; V127-F142 HydrophobicContact CG1-CE1 4.47Å; V127-F142 HydrophobicContact CG2-CD1 4.46Å; V127-F142 HydrophobicContact CG2-CE1 3.42Å; V127-F142 VanDerWaalsContact CG2-CE1 3.42Å; V127-F142 HydrophobicContact CG2-CE2 4.37Å; V127-F142 HydrophobicContact CG2-CZ 3.36Å; V127-F142 PolarHBondContact N-O 3.36Å; P140-F142 VanDerWaalsContact C-N 3.27Å; P140-F142 PolarHBondContact O-N 3.43Å; F142-L144 HydrophobicContact CD2-CB 4.38Å; F142-I219 HydrophobicContact CE2-CD1 4.3Å; F142-I219 HydrophobicContact CE2-CG2 4.31Å; F142-I219 HydrophobicContact CZ-CG2 3.82Å; F142-Y221 HydrophobicContact CD1-CD2 4.33Å; F142-Y221 AromaticContact CE1-CD2 3.78Å; F142-Y221 HydrophobicContact CE1-CD2 3.78Å; F142-Y221 HydrophobicContact CE1-CE2 4.4Å; F142-Y221 HydrophobicContact CE1-CG 4.42Å; F142-I229 HydrophobicContact CB-CD1 4.45Å; F142-I229 HydrophobicContact CB-CG2 4.03Å; F142-V231 HydrophobicContact CD1-CB 4.41Å; F142-V231 HydrophobicContact CD1-CG1 4.09Å; F142-V231 HydrophobicContact CD1-CG2 4.31Å; F142-V231 HydrophobicContact CD2-CB 4.44Å; F142-V231 HydrophobicContact CD2-CG1 3.97Å; F142-V231 HydrophobicContact CE1-CG1 3.85Å; F142-V231 HydrophobicContact CE2-CG1 3.73Å; F142-V231 HydrophobicContact CG-CB 4.33Å; F142-V231 HydrophobicContact CG-CG1 4.15Å; F142-V231 HydrophobicContact CZ-CG1 3.68Å |
| 143 | T | 76.2 | Confident | 74.6 | Confident | 56 Ų | 56 | 52.3 Ų | 52.3 | 34% | 0.344 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 135 | 166.8 | -58.8 | 0 | 0 | 0 | 0 | 108 | Y98 V125 C126 P140 | Y98-T143 PolarHBondContact OH-OG1 3.47Å; V125-T143 CarbonylContact O-C 3.3Å; V125-T143 VanDerWaalsContact O-CA 3.3Å; V125-T143 WeakPolarHBondContact O-CA 3.46Å; C126-T143 PolarHBondContact SG-OG1 3.25Å; P140-T143 VanDerWaalsContact CG-OG1 3.27Å; P140-T143 WeakPolarHBondContact CG-OG1 3.34Å |
| 144 | L | 82.4 | Confident | 75.8 | Confident | 24 Ų | 24 | 47 Ų | 47 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 118.4 | 178.1 | -174.7 | 83.9 | 0 | 0 | 0 | 109.7 | V125 F142 V146 I219 A234 | V125-L144 HydrophobicContact CB-CB 4.45Å; V125-L144 PolarHBondContact N-O 3.17Å; V125-L144 PolarHBondContact O-N 3.01Å; F142-L144 HydrophobicContact CD2-CB 4.38Å; L144-V146 HydrophobicContact CD2-CG2 4.17Å; L144-I219 HydrophobicContact CD2-CD1 3.87Å; L144-I219 HydrophobicContact CD2-CG1 4.31Å; L144-A234 HydrophobicContact CD2-CB 3.48Å; L144-A234 VanDerWaalsContact CD2-CB 3.48Å |
| 145 | N | 80.6 | Confident | 77 | Confident | 88 Ų | 88 | 47.3 Ų | 47.3 | 47% | 0.471 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 125.4 | 173.6 | -66 | 20.5 | 0 | 0 | 0 | 108.9 | A123 | A123-N145 WeakPolarHBondContact O-CA 3.49Å |
| 146 | V | 78.8 | Confident | 77.6 | Confident | 19 Ų | 19 | 43.8 Ų | 43.8 | 12% | 0.115 | 24% | 0.24 | C | C | . | . | trans | -99.4 | 145.4 | 179.8 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | A123 V125 L144 T148 F209 A234 | A123-V146 HydrophobicContact CB-CB 4.09Å; A123-V146 WeakPolarHBondContact CB-O 3.37Å; A123-V146 PolarHBondContact O-N 3.13Å; V125-V146 HydrophobicContact CG2-CG2 4.32Å; L144-V146 HydrophobicContact CD2-CG2 4.17Å; V146-T148 PolarHBondContact O-N 3.09Å; V146-F209 HydrophobicContact CG1-CE2 4.41Å; V146-F209 HydrophobicContact CG2-CE2 3.9Å; V146-F209 HydrophobicContact CG2-CZ 3.81Å; V146-A234 HydrophobicContact CG2-CB 4.17Å | ||
| 147 | N | 79 | Confident | 77.6 | Confident | 159 Ų | 159 | 44.5 Ų | 44.5 | 85% | 0.85 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -71.8 | 11.8 | -174.1 | -64 | 2.2 | 0 | 0 | 0 | 114.8 | ||
| 148 | T | 81.6 | Confident | 77.3 | Confident | 22 Ų | 22 | 45.3 Ų | 45.3 | 14% | 0.135 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -152.9 | 128.1 | -174.2 | 41.3 | 0 | 0 | 0 | 0 | 110.2 | A123 V146 D213 | A123-T148 WeakPolarHBondContact CB-O 3.42Å; V146-T148 PolarHBondContact O-N 3.09Å; T148-D213 HydrophobicContact CG2-CB 4.25Å |
| 149 | N | 85.1 | Confident | 76.7 | Confident | 89 Ų | 89 | 47.6 Ų | 47.6 | 48% | 0.476 | 25% | 0.248 | S | C | . | . | trans | -42.3 | 136.9 | 175.2 | -58.6 | 57.9 | 0 | 0 | 0 | 111.8 | D121 C211 C212 | D121-N149 WeakPolarHBondContact O-CB 3.4Å; D121-N149 VanDerWaalsContact O-CG 3.29Å; D121-N149 PolarHBondContact O-ND2 3.07Å; N149-C211 CarbonylContact O-C 3.53Å; N149-C211 WeakPolarHBondContact O-CA 3.22Å; N149-C212 HydrophobicContact CB-CB 4.2Å; N149-C212 WeakPolarHBondContact CB-SG 3.32Å; N149-C212 PolarHBondContact O-N 3.5Å; N149-C212 PolarHBondContact O-SG 3.44Å | ||
| 150 | I | 85.9 | Confident | 75.6 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 150.4 | 177 | -63.6 | 173.4 | 0 | 0 | 0 | 108.3 | I105 T119 A123 V125 F209 G210 | I105-I150 WeakPolarHBondContact CD1-O 3.23Å; T119-I150 HydrophobicContact CG2-CD1 4.12Å; T119-I150 HydrophobicContact CG2-CG2 4.4Å; A123-I150 HydrophobicContact CB-CD1 4.41Å; A123-I150 HydrophobicContact CB-CG1 4.12Å; V125-I150 HydrophobicContact CG2-CD1 3.4Å; V125-I150 VanDerWaalsContact CG2-CD1 3.4Å; I150-F209 HydrophobicContact CD1-CD2 3.73Å; I150-F209 HydrophobicContact CD1-CE2 3.85Å; I150-F209 HydrophobicContact CD1-CG 4.47Å; I150-F209 HydrophobicContact CG1-CD2 3.72Å; I150-F209 HydrophobicContact CG1-CE2 4Å; I150-F209 HydrophobicContact CG2-CB 4.17Å; I150-F209 HydrophobicContact CG2-CD2 4.2Å; I150-G210 CarbonylContact C-O 3.37Å; I150-G210 WeakPolarHBondContact CA-O 3.46Å |
| 151 | S | 83.4 | Confident | 74 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | -32.8 | -178.8 | 60.1 | 0 | 0 | 0 | 0 | 114.1 | G210 Y243 I244 | S151-G210 PolarHBondContact N-O 3.44Å; S151-G210 PolarHBondContact OG-O 3.31Å; S151-Y243 VanDerWaalsContact CB-CE1 3.48Å; S151-Y243 WeakPolarHBondContact CB-OH 3.43Å; S151-I244 WeakPolarHBondContact CB-O 3.29Å; S151-I244 PolarHBondContact OG-O 3.43Å |
| 152 | C | 83.4 | Confident | 72.5 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 11% | 0.108 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 161.7 | 176.3 | 61.6 | 0 | 0 | 0 | 0 | 110.3 | F209 G210 | C152-F209 CarbonylContact O-C 3.6Å; C152-F209 WeakPolarHBondContact O-CA 3.23Å; C152-F209 WeakPolarHBondContact O-CB 3.29Å; C152-G210 PolarHBondContact O-N 3.25Å |
| 153 | A | 84.8 | Confident | 70.7 | Confident | 12 Ų | 12 | 57.2 Ų | 57.2 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 151.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S106 F117 T119 L208 F209 | S106-A153 WeakPolarHBondContact OG-CB 3.21Å; F117-A153 HydrophobicContact CD1-CB 4.23Å; F117-A153 HydrophobicContact CE1-CB 3.69Å; T119-A153 HydrophobicContact CG2-CB 4.24Å; A153-L208 CarbonylContact C-O 3.31Å; A153-L208 WeakPolarHBondContact CA-O 3.15Å; A153-L208 WeakPolarHBondContact CB-O 3.47Å; A153-F209 HydrophobicContact CB-CB 3.71Å |
| 154 | I | 84.3 | Confident | 68.7 | Low | 32 Ų | 32 | 61 Ų | 61 | 16% | 0.164 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 162.3 | 173.9 | 64 | 166 | 0 | 0 | 0 | 110.9 | L208 I247 L256 | I154-L208 HydrophobicContact CG1-CB 4.05Å; I154-L208 PolarHBondContact N-O 3.01Å; I154-L208 PolarHBondContact O-N 3.45Å; I154-I247 HydrophobicContact CD1-CB 4.37Å; I154-I247 HydrophobicContact CD1-CG2 3.71Å; I154-I247 HydrophobicContact CG1-CB 4.47Å; I154-I247 HydrophobicContact CG1-CG2 4.1Å; I154-I247 VanDerWaalsContact CG2-O 3.32Å; I154-I247 WeakPolarHBondContact CG2-O 3.42Å; I154-L256 HydrophobicContact CD1-CD1 4.23Å |
| 155 | M | 81.4 | Confident | 66.1 | Low | 31 Ų | 31 | 67.9 Ų | 67.9 | 15% | 0.153 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 129.2 | 164.4 | 171.2 | -177.6 | 55 | 0 | 0 | 108.4 | V108 W109 T110 L111 S157 Y207 | V108-M155 HydrophobicContact CG1-CB 3.6Å; W109-M155 VanDerWaalsContact O-CE 3.23Å; W109-M155 WeakPolarHBondContact O-CE 3.39Å; T110-M155 HydrophobicContact CG2-SD 4.48Å; L111-M155 HydrophobicContact CD2-CE 3.82Å; L111-M155 HydrophobicContact CG-CE 3.71Å; L111-M155 HydrophobicContact CG-SD 4.46Å; M155-S157 PolarHBondContact O-N 3.5Å; M155-Y207 HydrophobicContact CB-CD1 4.13Å; M155-Y207 HydrophobicContact CB-CE1 4.21Å; M155-Y207 HydrophobicContact CG-CE1 4.37Å |
| 156 | L | 75.7 | Confident | 63.5 | Low | 11 Ų | 11 | 67.7 Ų | 67.7 | 6% | 0.058 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 96.4 | 176.1 | 177.1 | 70.6 | 0 | 0 | 0 | 109.8 | I158 F206 L208 V270 I276 | L156-I158 HydrophobicContact CD1-CD1 4.04Å; L156-I158 HydrophobicContact CD1-CG1 3.99Å; L156-I158 HydrophobicContact CD2-CD1 3.79Å; L156-I158 HydrophobicContact CD2-CG1 4.39Å; L156-I158 HydrophobicContact CG-CD1 3.91Å; L156-I158 HydrophobicContact CG-CG1 3.96Å; L156-I158 PolarHBondContact O-N 3.45Å; L156-F206 HydrophobicContact CB-CB 4.06Å; L156-F206 WeakPolarHBondContact CB-O 3.2Å; L156-F206 HydrophobicContact CD2-CB 3.99Å; L156-F206 PolarHBondContact N-O 2.76Å; L156-L208 HydrophobicContact CB-CD1 3.96Å; L156-L208 HydrophobicContact CB-CG 4.12Å; L156-L208 HydrophobicContact CD1-CD1 4.14Å; L156-L208 HydrophobicContact CD2-CD1 4.29Å; L156-L208 HydrophobicContact CG-CD1 4.36Å; L156-V270 HydrophobicContact CD1-CG2 4.33Å; L156-V270 HydrophobicContact CD2-CG1 4.08Å; L156-I276 HydrophobicContact CD2-CD1 4.14Å; L156-I276 HydrophobicContact CD2-CG2 4.34Å |
| 157 | S | 63.5 | Low | 61.1 | Low | 24 Ų | 24 | 73.6 Ų | 73.6 | 17% | 0.168 | 39% | 0.391 | C | S | . | . | trans | -89 | 87.4 | 173.3 | 61.9 | 0 | 0 | 0 | 0 | 111.3 | M155 | M155-S157 PolarHBondContact O-N 3.5Š| ||
| 158 | I | 57.9 | Low | 58.5 | Low | 36 Ų | 36 | 71.4 Ų | 71.4 | 19% | 0.185 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -88.1 | 128.5 | 169.7 | -73.7 | 173.5 | 0 | 0 | 0 | 108.8 | L156 N254 V270 L272 | L156-I158 HydrophobicContact CD1-CD1 4.04Å; L156-I158 HydrophobicContact CD1-CG1 3.99Å; L156-I158 HydrophobicContact CD2-CD1 3.79Å; L156-I158 HydrophobicContact CD2-CG1 4.39Å; L156-I158 HydrophobicContact CG-CD1 3.91Å; L156-I158 HydrophobicContact CG-CG1 3.96Å; L156-I158 PolarHBondContact O-N 3.45Å; I158-N254 WeakPolarHBondContact CG2-OD1 3.16Å; I158-V270 HydrophobicContact CD1-CB 3.99Å; I158-V270 HydrophobicContact CD1-CG1 3.7Å; I158-L272 HydrophobicContact CB-CD1 4.13Å; I158-L272 HydrophobicContact CD1-CD1 3.92Å; I158-L272 HydrophobicContact CD1-CD2 4.33Å; I158-L272 HydrophobicContact CD1-CG 3.99Å; I158-L272 HydrophobicContact CG2-CD1 3.73Å |
| 159 | K | 51.9 | Low | 55.8 | Low | 134 Ų | 134 | 76.6 Ų | 76.6 | 58% | 0.583 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 123.1 | 160.7 | -70.9 | 178.1 | 178.9 | -178.9 | 0 | 108 | S161 | K159-S161 PolarHBondContact O-N 3.14Š|
| 160 | N | 47.2 | Very low | 53 | Low | 90 Ų | 90 | 80.8 Ų | 80.8 | 48% | 0.481 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 131.8 | 163.2 | -86 | 2.3 | 0 | 0 | 0 | 108.4 | D162 E163 | N160-D162 PolarHBondContact O-N 3.37Å; N160-E163 PolarHBondContact O-N 2.94Å |
| 161 | S | 38.9 | Very low | 50 | Low | 84 Ų | 84 | 83.9 Ų | 83.9 | 59% | 0.587 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -55 | -24.1 | 176.7 | 39.6 | 0 | 0 | 0 | 0 | 113.5 | K159 E163 I164 | K159-S161 PolarHBondContact O-N 3.14Å; S161-E163 VanDerWaalsContact C-N 3.32Å; S161-E163 PolarHBondContact O-N 3.49Å; S161-I164 WeakPolarHBondContact O-CD1 3.07Å; S161-I164 VanDerWaalsContact O-CG1 3.23Å; S161-I164 WeakPolarHBondContact O-CG1 3.16Å |
| 162 | D | 45.7 | Very low | 47.3 | Very low | 140 Ų | 140 | 89.2 Ų | 89.2 | 75% | 0.749 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -85.6 | -8.1 | -164.6 | -48.9 | -6.9 | 0 | 0 | 0 | 112.3 | N160 | N160-D162 PolarHBondContact O-N 3.37Š|
| 163 | E | 37.7 | Very low | 44.5 | Very low | 115 Ų | 115 | 96.2 Ų | 96.2 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -103.6 | 10.6 | -179.2 | -63.4 | -167.3 | 157.7 | 0 | 0 | 114.2 | N160 S161 N165 S166 | N160-E163 PolarHBondContact O-N 2.94Å; S161-E163 VanDerWaalsContact C-N 3.32Å; S161-E163 PolarHBondContact O-N 3.49Å; E163-N165 PolarHBondContact O-N 3.15Å; E163-S166 PolarHBondContact O-N 3.41Å; E163-S166 PolarHBondContact O-OG 3.24Å |
| 164 | I | 32.7 | Very low | 41.6 | Very low | 136 Ų | 136 | 102.6 Ų | 102.6 | 70% | 0.697 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -56.2 | -22.4 | -170 | -77.2 | 171.8 | 0 | 0 | 0 | 115 | S161 S166 | S161-I164 WeakPolarHBondContact O-CD1 3.07Å; S161-I164 VanDerWaalsContact O-CG1 3.23Å; S161-I164 WeakPolarHBondContact O-CG1 3.16Å; I164-S166 PolarHBondContact O-N 2.87Å |
| 165 | N | 29 | Very low | 38.8 | Very low | 168 Ų | 168 | 105.8 Ų | 105.8 | 90% | 0.898 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -86.3 | 14.1 | -173.5 | -73.6 | -29.2 | 0 | 0 | 0 | 116.6 | E163 | E163-N165 PolarHBondContact O-N 3.15Š|
| 166 | S | 26.2 | Very low | 36.2 | Very low | 84 Ų | 84 | 109.8 Ų | 109.8 | 59% | 0.587 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -138 | 17.8 | -171.7 | 67.4 | 0 | 0 | 0 | 0 | 118.4 | E163 I164 V168 | E163-S166 PolarHBondContact O-N 3.41Å; E163-S166 PolarHBondContact O-OG 3.24Å; I164-S166 PolarHBondContact O-N 2.87Å; S166-V168 PolarHBondContact O-N 2.92Å |
| 167 | Y | 28 | Very low | 33.9 | Very low | 142 Ų | 142 | 114.3 Ų | 114.3 | 56% | 0.557 | 65% | 0.646 | S | S | * | * | trans | -99 | 84.9 | 170.1 | -78.4 | -84.8 | 0 | 0 | 0 | 112.9 | T169 | Y167-T169 PolarHBondContact O-N 3.42Š| ||
| 168 | V | 24.9 | Very low | 32.3 | Very low | 113 Ų | 113 | 118.5 Ų | 118.5 | 69% | 0.685 | 68% | 0.676 | S | S | * | * | trans | -53 | 133.3 | 158.3 | 174 | 0 | 0 | 0 | 0 | 108.8 | S166 F170 | S166-V168 PolarHBondContact O-N 2.92Å; V168-F170 PolarHBondContact O-N 3.09Å | ||
| 169 | T | 24.5 | Very low | 30.8 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | trans | -59.7 | 109.7 | 168.7 | 29.5 | 0 | 0 | 0 | 0 | 109.2 | Y167 A171 | Y167-T169 PolarHBondContact O-N 3.42Å; T169-A171 PolarHBondContact O-N 3.06Å | ||
| 170 | F | 25.6 | Very low | 29.7 | Very low | 177 Ų | 177 | 122.8 Ų | 122.8 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | -70.4 | 73.5 | 174.7 | -80.7 | -83 | 0 | 0 | 0 | 110.6 | V168 | V168-F170 PolarHBondContact O-N 3.09Š| ||
| 171 | A | 23.7 | Very low | 28.8 | Very low | 68 Ų | 68 | 125.9 Ų | 125.9 | 56% | 0.562 | 73% | 0.73 | S | S | * | * | trans | -55 | 133.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | T169 L173 | T169-A171 PolarHBondContact O-N 3.06Å; A171-L173 PolarHBondContact O-N 3.13Å; A171-L173 VanDerWaalsContact O-N 3.08Å | ||
| 172 | P | 26.8 | Very low | 28.4 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 84% | 0.838 | 73% | 0.732 | S | S | * | * | trans | -64.2 | 114 | -178.2 | 24.7 | -32.7 | 0 | 0 | 0 | 109.9 | ||||
| 173 | L | 24.3 | Very low | 27.8 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 85% | 0.853 | 74% | 0.738 | S | S | * | * | trans | -68.8 | 151.7 | -179.7 | -95.4 | 91.2 | 0 | 0 | 0 | 112.3 | A171 | A171-L173 PolarHBondContact O-N 3.13Å; A171-L173 VanDerWaalsContact O-N 3.08Å | ||
| 174 | N | 24.2 | Very low | 27.4 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | trans | -64.5 | 156.8 | -178 | -62.5 | -41.2 | 0 | 0 | 0 | 114.8 | ||||
| 175 | S | 25.8 | Very low | 27.2 | Very low | 99 Ų | 99 | 129.6 Ų | 129.6 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | trans | 66.4 | 113.3 | 134 | 65.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 176 | S | 26.5 | Very low | 27.1 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | 70.9 | 129.5 | 121.5 | 71 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 177 | S | 27.9 | Very low | 27.4 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | -147 | 138.2 | 143.5 | 58.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 178 | S | 28.5 | Very low | 27.5 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 63.5 | 130.7 | -167.7 | 71.6 | 0 | 0 | 0 | 0 | 115.2 | ||
| 179 | E | 27.5 | Very low | 27.7 | Very low | 197 Ų | 197 | 127.1 Ų | 127.1 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | cis | -153.2 | 149.2 | -8.2 | -123.7 | 175.1 | -149.7 | 0 | 0 | 110.8 | ||||
| 180 | G | 28.6 | Very low | 27.9 | Very low | 63 Ų | 63 | 129.5 Ų | 129.5 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | trans | 90.1 | 116.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 181 | N | 28.4 | Very low | 28 | Very low | 154 Ų | 154 | 127.4 Ų | 127.4 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | 66.2 | 125.8 | 72.8 | -67.6 | -23.7 | 0 | 0 | 0 | 112.9 | |||||
| 182 | I | 31.1 | Very low | 28.1 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 63% | 0.631 | 77% | 0.774 | S | S | * | * | cis | -165.3 | 149.7 | 12.4 | -112.2 | 161.8 | 0 | 0 | 0 | 109.5 | ||||
| 183 | F | 31.2 | Very low | 28.3 | Very low | 199 Ų | 199 | 133.1 Ų | 133.1 | 87% | 0.873 | 77% | 0.774 | S | S | * | * | trans | 61.6 | 153.6 | 172 | -60.6 | -41.8 | 0 | 0 | 0 | 119 | ||||
| 184 | A | 30.5 | Very low | 28.2 | Very low | 75 Ų | 75 | 137.1 Ų | 137.1 | 62% | 0.62 | 78% | 0.778 | S | S | * | * | cis | -167.2 | 149.4 | -26.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 185 | D | 28.7 | Very low | 28.4 | Very low | 157 Ų | 157 | 135 Ų | 135 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | 33.4 | 144.2 | 137.2 | -61.1 | -27.6 | 0 | 0 | 0 | 123 | ||||
| 186 | S | 27.4 | Very low | 28.3 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | cis | -176.2 | 139.2 | -6.4 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 187 | A | 31.2 | Very low | 28.2 | Very low | 92 Ų | 92 | 135.7 Ų | 135.7 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -178.9 | 107.9 | 148.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 188 | V | 31.3 | Very low | 28.1 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | 71.8 | 123.5 | 84.7 | 166.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 189 | T | 27.5 | Very low | 27.9 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | cis | -156.7 | 162.5 | -16.4 | 30.4 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 190 | E | 30.3 | Very low | 28 | Very low | 180 Ų | 180 | 135.2 Ų | 135.2 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | cis | -156.6 | 170.4 | 49.6 | -69.6 | 177.3 | 156.5 | 0 | 0 | 111.1 | ||||
| 191 | T | 26.3 | Very low | 28.2 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -137.2 | 166.8 | 172.9 | 66.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 192 | P | 26.6 | Very low | 28.4 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | -158.1 | 178.1 | 95.9 | 41.2 | -21.7 | 0 | 0 | 0 | 118.3 | |||||
| 193 | Y | 30.1 | Very low | 29.2 | Very low | 213 Ų | 213 | 133.6 Ų | 133.6 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | trans | 68.1 | 94 | 160.2 | -65.1 | -60.3 | 0 | 0 | 0 | 121.4 | ||||
| 194 | R | 23.2 | Very low | 30.4 | Very low | 247 Ų | 247 | 126 Ų | 126 | 93% | 0.932 | 71% | 0.714 | S | S | * | * | trans | -68.6 | 134 | 137.1 | -68.9 | 175.5 | 172.7 | 170.6 | -3.2 | 109.8 | ||||
| 195 | S | 27.6 | Very low | 32.2 | Very low | 101 Ų | 101 | 123 Ų | 123 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | trans | -124.7 | 111.7 | 158.3 | 47.7 | 0 | 0 | 0 | 0 | 109.3 | S197 | S195-S197 VanDerWaalsContact C-N 3.35Å; S195-S197 PolarHBondContact O-N 2.72Å | ||
| 196 | S | 23.4 | Very low | 34.5 | Very low | 134 Ų | 134 | 116.4 Ų | 116.4 | 94% | 0.937 | 65% | 0.651 | S | S | * | * | trans | -83.2 | 76.9 | -178.4 | 57 | 0 | 0 | 0 | 0 | 111 | ||||
| 197 | S | 25.2 | Very low | 37.1 | Very low | 95 Ų | 95 | 111.3 Ų | 111.3 | 66% | 0.664 | 62% | 0.615 | S | S | * | * | trans | -125.5 | 139.9 | 170.7 | 52.3 | 0 | 0 | 0 | 0 | 110.3 | S195 L199 | S195-S197 VanDerWaalsContact C-N 3.35Å; S195-S197 PolarHBondContact O-N 2.72Å; S197-L199 PolarHBondContact O-N 3.14Å | ||
| 198 | S | 25.8 | Very low | 39.7 | Very low | 97 Ų | 97 | 106.9 Ų | 106.9 | 68% | 0.678 | 58% | 0.579 | S | S | * | * | trans | -61.6 | 110.1 | -175.1 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | K200 | S198-K200 PolarHBondContact O-N 3.23Š| ||
| 199 | L | 24.8 | Very low | 42.4 | Very low | 156 Ų | 156 | 100.5 Ų | 100.5 | 82% | 0.817 | 54% | 0.54 | S | S | * | . | trans | -64.9 | 83.5 | 157.6 | -88.2 | 164 | 0 | 0 | 0 | 108.5 | S197 F201 | S197-L199 PolarHBondContact O-N 3.14Å; L199-F201 PolarHBondContact O-N 3.09Å; L199-F201 VanDerWaalsContact O-N 3.09Å | ||
| 200 | K | 28.9 | Very low | 45.1 | Very low | 154 Ų | 154 | 94.8 Ų | 94.8 | 67% | 0.67 | 51% | 0.505 | S | S | * | . | trans | -68.5 | 99.8 | 163.9 | -70.7 | -176.4 | 177.4 | -178.7 | 0 | 106.7 | S198 L202 | S198-K200 PolarHBondContact O-N 3.23Å; K200-L202 HydrophobicContact CB-CD1 4.01Å; K200-L202 HydrophobicContact CB-CG 4.08Å; K200-L202 HydrophobicContact CD-CD1 4.21Å; K200-L202 PolarHBondContact O-N 3.4Å | ||
| 201 | F | 33.7 | Very low | 47.8 | Very low | 109 Ų | 109 | 86.2 Ų | 86.2 | 48% | 0.478 | 47% | 0.465 | S | S | . | . | trans | -62.7 | 87.5 | 161.1 | -82.2 | -86.3 | 0 | 0 | 0 | 108.1 | L199 S203 | L199-F201 PolarHBondContact O-N 3.09Å; L199-F201 VanDerWaalsContact O-N 3.09Å; F201-S203 PolarHBondContact O-N 2.75Å | ||
| 202 | L | 31.2 | Very low | 50.6 | Low | 133 Ų | 133 | 81.6 Ų | 81.6 | 70% | 0.696 | 44% | 0.438 | S | S | * | . | trans | -83.6 | 28.5 | 174.9 | -86.6 | 158.3 | 0 | 0 | 0 | 111.1 | K200 S204 | K200-L202 HydrophobicContact CB-CD1 4.01Å; K200-L202 HydrophobicContact CB-CG 4.08Å; K200-L202 HydrophobicContact CD-CD1 4.21Å; K200-L202 PolarHBondContact O-N 3.4Å; L202-S204 PolarHBondContact O-N 3.19Å | ||
| 203 | S | 48.6 | Very low | 53.4 | Low | 64 Ų | 64 | 80 Ų | 80 | 45% | 0.448 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 119.1 | 164.1 | 47.4 | 0 | 0 | 0 | 0 | 108.8 | F201 E205 | F201-S203 PolarHBondContact O-N 2.75Å; S203-E205 PolarHBondContact O-N 3.05Å |
| 204 | S | 57 | Low | 56 | Low | 38 Ų | 38 | 69.9 Ų | 69.9 | 27% | 0.266 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 120.6 | 159.5 | -70.1 | 0 | 0 | 0 | 0 | 108.1 | L202 F206 K220 | L202-S204 PolarHBondContact O-N 3.19Å; S204-F206 WeakPolarHBondContact O-CD2 3.28Å; S204-F206 WeakPolarHBondContact O-CE2 3.45Å; S204-K220 WeakPolarHBondContact OG-CE 3.28Å; S204-K220 PolarHBondContact OG-NZ 3.06Å; S204-K220 VanDerWaalsContact OG-NZ 3.09Å |
| 205 | E | 67.4 | Low | 59.1 | Low | 12 Ų | 12 | 61.3 Ų | 61.3 | 6% | 0.056 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 122 | -173.3 | -69.1 | 177.7 | 135.4 | 0 | 0 | 109.7 | T110 S203 Y207 Y221 R223 | T110-E205 WeakPolarHBondContact CB-OE1 3.47Å; T110-E205 VanDerWaalsContact CG2-CD 3.45Å; T110-E205 WeakPolarHBondContact CG2-OE1 3.47Å; T110-E205 WeakPolarHBondContact CG2-OE2 3.32Å; S203-E205 PolarHBondContact O-N 3.05Å; E205-Y207 HydrophobicContact CB-CE2 4.19Å; E205-Y221 HydrophobicContact CB-CD1 4.41Å; E205-Y221 PolarHBondContact N-O 3.06Å; E205-Y221 PolarHBondContact O-N 3.31Å; E205-R223 IonicContact OE1-CZ 3.89Å; E205-R223 IonicContact OE1-NE 3.28Å; E205-R223 IonicContact OE1-NH2 2.64Å; E205-R223 PolarHBondContact OE1-NH2 3.32Å; E205-R223 IonicContact OE2-CZ 2.65Å; E205-R223 IonicContact OE2-NE 2.73Å; E205-R223 PolarHBondContact OE2-NE 3.37Å; E205-R223 IonicContact OE2-NH2 3.15Å; E205-R223 PolarHBondContact OE2-NH2 3.42Å; E205-R223 VanDerWaalsContact OE2-NH2 3.12Å |
| 206 | F | 77.3 | Confident | 62 | Low | 20 Ų | 20 | 56.5 Ų | 56.5 | 9% | 0.088 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 106.1 | -174.4 | -68.1 | -67.8 | 0 | 0 | 0 | 109.3 | L156 S204 Y218 K220 L272 I276 | L156-F206 HydrophobicContact CB-CB 4.06Å; L156-F206 WeakPolarHBondContact CB-O 3.2Å; L156-F206 HydrophobicContact CD2-CB 3.99Å; L156-F206 PolarHBondContact N-O 2.76Å; S204-F206 WeakPolarHBondContact O-CD2 3.28Å; S204-F206 WeakPolarHBondContact O-CE2 3.45Å; F206-Y218 HydrophobicContact CD1-CD2 4.48Å; F206-K220 HydrophobicContact CD1-CB 4.02Å; F206-K220 HydrophobicContact CD1-CG 4.06Å; F206-K220 HydrophobicContact CE1-CB 3.79Å; F206-K220 HydrophobicContact CE1-CD 4.05Å; F206-K220 HydrophobicContact CE1-CG 3.54Å; F206-K220 HydrophobicContact CZ-CD 4.44Å; F206-K220 HydrophobicContact CZ-CG 4.23Å; F206-L272 HydrophobicContact CD2-CD2 4.01Å; F206-L272 HydrophobicContact CE2-CD1 4.46Å; F206-L272 HydrophobicContact CE2-CD2 3.56Å; F206-L272 HydrophobicContact CZ-CD2 4Å; F206-I276 HydrophobicContact CB-CD1 3.67Å; F206-I276 HydrophobicContact CB-CG1 4.37Å; F206-I276 HydrophobicContact CD1-CD1 3.41Å; F206-I276 VanDerWaalsContact CD1-CD1 3.41Å; F206-I276 HydrophobicContact CD1-CG1 3.33Å; F206-I276 HydrophobicContact CD2-CG1 4.48Å; F206-I276 HydrophobicContact CE1-CD1 4.17Å; F206-I276 HydrophobicContact CE1-CG1 3.55Å; F206-I276 HydrophobicContact CG-CD1 3.67Å; F206-I276 HydrophobicContact CG-CG1 3.83Å; F206-I276 HydrophobicContact CZ-CG1 4.24Å |
| 207 | Y | 81.7 | Confident | 65 | Low | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 125.8 | 175.1 | -58.9 | -72.6 | 0 | 0 | 0 | 109.2 | T110 F117 V127 M155 E205 Y218 I219 Y221 | T110-Y207 WeakPolarHBondContact CG2-OH 3.37Å; F117-Y207 HydrophobicContact CB-CD1 3.48Å; F117-Y207 VanDerWaalsContact CB-CD1 3.48Å; F117-Y207 HydrophobicContact CB-CD2 4.4Å; F117-Y207 HydrophobicContact CB-CE1 3.43Å; F117-Y207 VanDerWaalsContact CB-CE1 3.43Å; F117-Y207 HydrophobicContact CB-CE2 4.34Å; F117-Y207 HydrophobicContact CB-CG 3.99Å; F117-Y207 HydrophobicContact CD1-CD1 4.2Å; F117-Y207 HydrophobicContact CD1-CG 4.34Å; F117-Y207 VanDerWaalsContact CD2-CB 3.44Å; F117-Y207 AromaticContact CD2-CD1 3.68Å; F117-Y207 HydrophobicContact CD2-CD1 3.68Å; F117-Y207 AromaticContact CD2-CD2 3.44Å; F117-Y207 HydrophobicContact CD2-CD2 3.44Å; F117-Y207 VanDerWaalsContact CD2-CD2 3.44Å; F117-Y207 HydrophobicContact CD2-CE1 4.25Å; F117-Y207 HydrophobicContact CD2-CE2 4.02Å; F117-Y207 AromaticContact CD2-CG 3.22Å; F117-Y207 HydrophobicContact CD2-CG 3.22Å; F117-Y207 HydrophobicContact CE2-CD1 4.42Å; F117-Y207 AromaticContact CE2-CD2 3.95Å; F117-Y207 HydrophobicContact CE2-CD2 3.95Å; F117-Y207 AromaticContact CE2-CG 3.66Å; F117-Y207 HydrophobicContact CE2-CG 3.66Å; F117-Y207 AromaticContact CG-CD1 3.55Å; F117-Y207 HydrophobicContact CG-CD1 3.55Å; F117-Y207 HydrophobicContact CG-CD2 4.18Å; F117-Y207 HydrophobicContact CG-CE1 4.03Å; F117-Y207 AromaticContact CG-CG 3.63Å; F117-Y207 HydrophobicContact CG-CG 3.63Å; F117-Y207 HydrophobicContact CZ-CG 4.37Å; V127-Y207 HydrophobicContact CG2-CD2 4.45Å; V127-Y207 HydrophobicContact CG2-CE2 4.1Å; M155-Y207 HydrophobicContact CB-CD1 4.13Å; M155-Y207 HydrophobicContact CB-CE1 4.21Å; M155-Y207 HydrophobicContact CG-CE1 4.37Å; E205-Y207 HydrophobicContact CB-CE2 4.19Å; Y207-Y218 WeakPolarHBondContact O-CA 3.5Å; Y207-I219 PolarHBondContact N-O 3.23Å; Y207-I219 PolarHBondContact O-N 3.41Å; Y207-Y221 AromaticContact CE2-CD1 3.95Å; Y207-Y221 HydrophobicContact CE2-CD1 3.95Å; Y207-Y221 HydrophobicContact CE2-CG 4.08Å |
| 208 | L | 86.3 | Confident | 67.9 | Low | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 136.6 | 179.7 | -60 | -177.5 | 0 | 0 | 0 | 109.2 | A153 I154 L156 Y218 L237 L256 I276 | A153-L208 CarbonylContact C-O 3.31Å; A153-L208 WeakPolarHBondContact CA-O 3.15Å; A153-L208 WeakPolarHBondContact CB-O 3.47Å; I154-L208 HydrophobicContact CG1-CB 4.05Å; I154-L208 PolarHBondContact N-O 3.01Å; I154-L208 PolarHBondContact O-N 3.45Å; L156-L208 HydrophobicContact CB-CD1 3.96Å; L156-L208 HydrophobicContact CB-CG 4.12Å; L156-L208 HydrophobicContact CD1-CD1 4.14Å; L156-L208 HydrophobicContact CD2-CD1 4.29Å; L156-L208 HydrophobicContact CG-CD1 4.36Å; L208-Y218 VanDerWaalsContact CD2-CB 3.49Å; L208-L237 HydrophobicContact CD1-CD2 4.47Å; L208-L237 HydrophobicContact CD2-CD2 3.59Å; L208-L256 HydrophobicContact CD1-CD1 3.46Å; L208-L256 VanDerWaalsContact CD1-CD1 3.46Å; L208-L256 HydrophobicContact CD1-CD2 3.8Å; L208-L256 HydrophobicContact CD1-CG 4.29Å; L208-I276 HydrophobicContact CD2-CD1 3.85Å |
| 209 | F | 87.7 | Confident | 70.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 140.8 | 175.9 | 61.6 | -84 | 0 | 0 | 0 | 112.3 | F117 V125 V146 I150 C152 A153 M217 I219 A234 | F117-F209 HydrophobicContact CZ-CD1 4.05Å; V125-F209 HydrophobicContact CG2-CE1 4.4Å; V125-F209 HydrophobicContact CG2-CE2 4.39Å; V125-F209 HydrophobicContact CG2-CZ 4.16Å; V146-F209 HydrophobicContact CG1-CE2 4.41Å; V146-F209 HydrophobicContact CG2-CE2 3.9Å; V146-F209 HydrophobicContact CG2-CZ 3.81Å; I150-F209 HydrophobicContact CD1-CD2 3.73Å; I150-F209 HydrophobicContact CD1-CE2 3.85Å; I150-F209 HydrophobicContact CD1-CG 4.47Å; I150-F209 HydrophobicContact CG1-CD2 3.72Å; I150-F209 HydrophobicContact CG1-CE2 4Å; I150-F209 HydrophobicContact CG2-CB 4.17Å; I150-F209 HydrophobicContact CG2-CD2 4.2Å; C152-F209 CarbonylContact O-C 3.6Å; C152-F209 WeakPolarHBondContact O-CA 3.23Å; C152-F209 WeakPolarHBondContact O-CB 3.29Å; A153-F209 HydrophobicContact CB-CB 3.71Å; F209-M217 HydrophobicContact CD1-CB 4.19Å; F209-M217 HydrophobicContact CD2-CB 3.95Å; F209-M217 HydrophobicContact CD2-CG 4.47Å; F209-M217 HydrophobicContact CE1-CB 3.72Å; F209-M217 HydrophobicContact CE2-CB 3.49Å; F209-M217 VanDerWaalsContact CE2-CB 3.49Å; F209-M217 HydrophobicContact CE2-CG 3.89Å; F209-M217 HydrophobicContact CG-CB 4.3Å; F209-M217 HydrophobicContact CZ-CB 3.36Å; F209-M217 HydrophobicContact CZ-CG 4.12Å; F209-M217 PolarHBondContact N-O 3.24Å; F209-M217 PolarHBondContact O-N 2.83Å; F209-I219 HydrophobicContact CE1-CD1 3.62Å; F209-I219 HydrophobicContact CE1-CG1 3.98Å; F209-I219 HydrophobicContact CZ-CD1 4.24Å; F209-A234 HydrophobicContact CE1-CB 4.26Å; F209-A234 HydrophobicContact CZ-CB 3.74Å |
| 210 | G | 85.1 | Confident | 73 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 137.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I150 S151 C152 | I150-G210 CarbonylContact C-O 3.37Å; I150-G210 WeakPolarHBondContact CA-O 3.46Å; S151-G210 PolarHBondContact N-O 3.44Å; S151-G210 PolarHBondContact OG-O 3.31Å; C152-G210 PolarHBondContact O-N 3.25Å |
| 211 | C | 86.2 | Confident | 75 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 149.7 | 169.2 | -63.9 | 0 | 0 | 0 | 0 | 110.6 | N149 D213 G214 R215 M217 | N149-C211 CarbonylContact O-C 3.53Å; N149-C211 WeakPolarHBondContact O-CA 3.22Å; C211-D213 WeakPolarHBondContact CB-OD1 3.04Å; C211-D213 PolarHBondContact O-N 2.88Å; C211-G214 PolarHBondContact O-N 2.91Å; C211-R215 HydrophobicContact CB-CB 4.16Å; C211-R215 WeakPolarHBondContact CB-O 3.48Å; C211-R215 PolarHBondContact N-O 3.42Å; C211-M217 WeakPolarHBondContact SG-CG 3.46Å |
| 212 | C | 85.1 | Confident | 76.6 | Confident | 38 Ų | 38 | 29.2 Ų | 29.2 | 26% | 0.257 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -14.1 | -179.9 | -59.2 | 0 | 0 | 0 | 0 | 114.2 | N149 Y243 | N149-C212 HydrophobicContact CB-CB 4.2Å; N149-C212 WeakPolarHBondContact CB-SG 3.32Å; N149-C212 PolarHBondContact O-N 3.5Å; N149-C212 PolarHBondContact O-SG 3.44Å; C212-Y243 HydrophobicContact CB-CD2 3.53Å; C212-Y243 HydrophobicContact CB-CE2 3.53Å; C212-Y243 HydrophobicContact CB-CG 4.47Å; C212-Y243 WeakPolarHBondContact O-CA 3.41Å; C212-Y243 WeakPolarHBondContact SG-CE2 3.43Å |
| 213 | D | 85.3 | Confident | 78 | Confident | 69 Ų | 69 | 25.4 Ų | 25.4 | 37% | 0.369 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -1.1 | 176 | 79.5 | -23.1 | 0 | 0 | 0 | 114.2 | T148 C211 R215 | T148-D213 HydrophobicContact CG2-CB 4.25Å; C211-D213 WeakPolarHBondContact CB-OD1 3.04Å; C211-D213 PolarHBondContact O-N 2.88Å; D213-R215 WeakPolarHBondContact OD1-CB 3.44Å; D213-R215 PolarHBondContact OD1-N 3.35Å; D213-R215 IonicContact OD1-NE 3.15Å; D213-R215 PolarHBondContact OD1-NE 3.21Å; D213-R215 IonicContact OD2-CZ 3.21Å; D213-R215 IonicContact OD2-NE 2.87Å; D213-R215 PolarHBondContact OD2-NE 2.82Å; D213-R215 IonicContact OD2-NH2 3.33Å; D213-R215 PolarHBondContact OD2-NH2 3.37Å |
| 214 | G | 84.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 95.7 | 1.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | C211 I216 C240 G242 | C211-G214 PolarHBondContact O-N 2.91Å; G214-I216 PolarHBondContact O-N 2.82Å; G214-C240 WeakPolarHBondContact CA-O 3.43Å; G214-C240 PolarHBondContact O-N 3.4Å; G214-G242 WeakPolarHBondContact CA-O 3.24Å |
| 215 | R | 88.1 | Confident | 78.3 | Confident | 68 Ų | 68 | 31.2 Ų | 31.2 | 26% | 0.257 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 124.4 | 169.4 | -77.4 | -179.2 | -87.8 | 172.9 | -10.3 | 111.5 | C211 D213 M217 K236 I244 | C211-R215 HydrophobicContact CB-CB 4.16Å; C211-R215 WeakPolarHBondContact CB-O 3.48Å; C211-R215 PolarHBondContact N-O 3.42Å; D213-R215 WeakPolarHBondContact OD1-CB 3.44Å; D213-R215 PolarHBondContact OD1-N 3.35Å; D213-R215 IonicContact OD1-NE 3.15Å; D213-R215 PolarHBondContact OD1-NE 3.21Å; D213-R215 IonicContact OD2-CZ 3.21Å; D213-R215 IonicContact OD2-NE 2.87Å; D213-R215 PolarHBondContact OD2-NE 2.82Å; D213-R215 IonicContact OD2-NH2 3.33Å; D213-R215 PolarHBondContact OD2-NH2 3.37Å; R215-M217 HydrophobicContact CB-CG 4.18Å; R215-M217 HydrophobicContact CB-SD 3.82Å; R215-M217 HydrophobicContact CG-SD 4.39Å; R215-K236 HydrophobicContact CG-CD 4.06Å; R215-K236 HydrophobicContact CG-CG 4.19Å; R215-I244 VanDerWaalsContact C-CD1 3.49Å; R215-I244 WeakPolarHBondContact O-CD1 3.49Å |
| 216 | I | 89.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 123 | 155.5 | -54.6 | 178.8 | 0 | 0 | 0 | 106.2 | G214 L237 A238 I244 I247 A258 Y268 | G214-I216 PolarHBondContact O-N 2.82Å; I216-L237 HydrophobicContact CB-CB 4.4Å; I216-L237 HydrophobicContact CG2-CB 4.15Å; I216-L237 HydrophobicContact CG2-CD2 4.23Å; I216-L237 PolarHBondContact O-N 2.94Å; I216-A238 HydrophobicContact CB-CB 4.09Å; I216-A238 HydrophobicContact CD1-CB 3.99Å; I216-A238 HydrophobicContact CG1-CB 4.2Å; I216-A238 PolarHBondContact N-O 3.48Å; I216-A238 PolarHBondContact O-N 3.04Å; I216-I244 HydrophobicContact CG1-CD1 3.68Å; I216-I247 HydrophobicContact CG1-CD1 4.31Å; I216-I247 HydrophobicContact CG2-CD1 4.09Å; I216-A258 HydrophobicContact CD1-CB 3.55Å; I216-A258 HydrophobicContact CG1-CB 4.41Å; I216-Y268 HydrophobicContact CD1-CD2 4.11Å; I216-Y268 HydrophobicContact CD1-CE2 3.8Å |
| 217 | M | 86.9 | Confident | 76.1 | Confident | 9 Ų | 9 | 41.8 Ų | 41.8 | 4% | 0.044 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 149.2 | 176.7 | -58.6 | -63.2 | -66.1 | 0 | 0 | 109.2 | F209 C211 R215 A234 N235 K236 | F209-M217 HydrophobicContact CD1-CB 4.19Å; F209-M217 HydrophobicContact CD2-CB 3.95Å; F209-M217 HydrophobicContact CD2-CG 4.47Å; F209-M217 HydrophobicContact CE1-CB 3.72Å; F209-M217 HydrophobicContact CE2-CB 3.49Å; F209-M217 VanDerWaalsContact CE2-CB 3.49Å; F209-M217 HydrophobicContact CE2-CG 3.89Å; F209-M217 HydrophobicContact CG-CB 4.3Å; F209-M217 HydrophobicContact CZ-CB 3.36Å; F209-M217 HydrophobicContact CZ-CG 4.12Å; F209-M217 PolarHBondContact N-O 3.24Å; F209-M217 PolarHBondContact O-N 2.83Å; C211-M217 WeakPolarHBondContact SG-CG 3.46Å; R215-M217 HydrophobicContact CB-CG 4.18Å; R215-M217 HydrophobicContact CB-SD 3.82Å; R215-M217 HydrophobicContact CG-SD 4.39Å; M217-A234 HydrophobicContact CE-CB 3.77Å; M217-A234 WeakPolarHBondContact CE-O 3.47Å; M217-N235 CarbonylContact C-O 3.58Å; M217-N235 WeakPolarHBondContact CA-O 3.47Å; M217-K236 HydrophobicContact CE-CB 4.44Å; M217-K236 HydrophobicContact SD-CB 3.91Å; M217-K236 HydrophobicContact SD-CG 4.37Å |
| 218 | Y | 85.9 | Confident | 74.4 | Confident | 33 Ų | 33 | 47.5 Ų | 47.5 | 13% | 0.129 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 149.2 | 172.4 | 84.3 | -94.1 | 0 | 0 | 0 | 112.2 | F206 Y207 L208 K220 N235 L237 I276 | F206-Y218 HydrophobicContact CD1-CD2 4.48Å; Y207-Y218 WeakPolarHBondContact O-CA 3.5Å; L208-Y218 VanDerWaalsContact CD2-CB 3.49Å; Y218-K220 HydrophobicContact CE2-CB 4.48Å; Y218-N235 HydrophobicContact CD1-CB 3.7Å; Y218-N235 WeakPolarHBondContact CD1-O 3.49Å; Y218-N235 HydrophobicContact CE1-CB 3.3Å; Y218-N235 HydrophobicContact CE2-CB 4.27Å; Y218-N235 HydrophobicContact CG-CB 4.38Å; Y218-N235 PolarHBondContact N-O 2.94Å; Y218-N235 PolarHBondContact O-N 3.32Å; Y218-N235 PolarHBondContact OH-ND2 3.48Å; Y218-L237 HydrophobicContact CD1-CB 3.97Å; Y218-L237 HydrophobicContact CD1-CD1 3.97Å; Y218-L237 HydrophobicContact CD1-CG 4.45Å; Y218-L237 HydrophobicContact CE1-CD1 4.32Å; Y218-I276 HydrophobicContact CD1-CB 4.46Å; Y218-I276 HydrophobicContact CD1-CD1 4.3Å; Y218-I276 HydrophobicContact CD2-CB 4.47Å; Y218-I276 HydrophobicContact CD2-CD1 3.46Å; Y218-I276 VanDerWaalsContact CD2-CD1 3.46Å; Y218-I276 HydrophobicContact CD2-CG1 3.77Å; Y218-I276 HydrophobicContact CE1-CB 4.4Å; Y218-I276 HydrophobicContact CE2-CB 4.46Å; Y218-I276 HydrophobicContact CE2-CD1 4.16Å; Y218-I276 HydrophobicContact CE2-CG1 3.93Å; Y218-I276 HydrophobicContact CG-CB 4.47Å; Y218-I276 HydrophobicContact CG-CD1 3.56Å; Y218-I276 HydrophobicContact CG-CG1 4.13Å |
| 219 | I | 80.2 | Confident | 72.3 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 124.6 | 167.3 | -76.5 | 161.1 | 0 | 0 | 0 | 107.9 | F117 V125 F142 L144 Y207 F209 V231 A234 | F117-I219 HydrophobicContact CE2-CD1 4.18Å; F117-I219 HydrophobicContact CZ-CD1 4.49Å; V125-I219 HydrophobicContact CB-CD1 4.22Å; V125-I219 HydrophobicContact CG1-CD1 3.69Å; V125-I219 HydrophobicContact CG2-CD1 4.36Å; F142-I219 HydrophobicContact CE2-CD1 4.3Å; F142-I219 HydrophobicContact CE2-CG2 4.31Å; F142-I219 HydrophobicContact CZ-CG2 3.82Å; L144-I219 HydrophobicContact CD2-CD1 3.87Å; L144-I219 HydrophobicContact CD2-CG1 4.31Å; Y207-I219 PolarHBondContact N-O 3.23Å; Y207-I219 PolarHBondContact O-N 3.41Å; F209-I219 HydrophobicContact CE1-CD1 3.62Å; F209-I219 HydrophobicContact CE1-CG1 3.98Å; F209-I219 HydrophobicContact CZ-CD1 4.24Å; I219-V231 HydrophobicContact CG2-CG1 3.43Å; I219-V231 VanDerWaalsContact CG2-CG1 3.43Å; I219-A234 HydrophobicContact CD1-CB 4.46Å; I219-A234 HydrophobicContact CG1-CB 4.14Å |
| 220 | K | 77.1 | Confident | 70.2 | Confident | 79 Ų | 79 | 55.7 Ų | 55.7 | 34% | 0.343 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 110.3 | 163.9 | -174.6 | -171.3 | -168.1 | -151.9 | 0 | 108.1 | S204 F206 Y218 D222 | S204-K220 WeakPolarHBondContact OG-CE 3.28Å; S204-K220 PolarHBondContact OG-NZ 3.06Å; S204-K220 VanDerWaalsContact OG-NZ 3.09Å; F206-K220 HydrophobicContact CD1-CB 4.02Å; F206-K220 HydrophobicContact CD1-CG 4.06Å; F206-K220 HydrophobicContact CE1-CB 3.79Å; F206-K220 HydrophobicContact CE1-CD 4.05Å; F206-K220 HydrophobicContact CE1-CG 3.54Å; F206-K220 HydrophobicContact CZ-CD 4.44Å; F206-K220 HydrophobicContact CZ-CG 4.23Å; Y218-K220 HydrophobicContact CE2-CB 4.48Å; K220-D222 WeakPolarHBondContact CE-OD2 3.35Å; K220-D222 IonicContact NZ-OD2 2.75Å; K220-D222 PolarHBondContact NZ-OD2 2.9Å |
| 221 | Y | 71 | Confident | 68.7 | Low | 10 Ų | 10 | 56.5 Ų | 56.5 | 4% | 0.039 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 115 | 167 | 178.7 | -125 | 0 | 0 | 0 | 109.4 | V127 I141 F142 E205 Y207 R223 | V127-Y221 HydrophobicContact CG1-CD1 4.38Å; V127-Y221 HydrophobicContact CG1-CE1 4.17Å; I141-Y221 HydrophobicContact CD1-CE2 4.28Å; I141-Y221 WeakPolarHBondContact CD1-OH 3.46Å; I141-Y221 HydrophobicContact CG2-CE2 4.17Å; F142-Y221 HydrophobicContact CD1-CD2 4.33Å; F142-Y221 AromaticContact CE1-CD2 3.78Å; F142-Y221 HydrophobicContact CE1-CD2 3.78Å; F142-Y221 HydrophobicContact CE1-CE2 4.4Å; F142-Y221 HydrophobicContact CE1-CG 4.42Å; E205-Y221 HydrophobicContact CB-CD1 4.41Å; E205-Y221 PolarHBondContact N-O 3.06Å; E205-Y221 PolarHBondContact O-N 3.31Å; Y207-Y221 AromaticContact CE2-CD1 3.95Å; Y207-Y221 HydrophobicContact CE2-CD1 3.95Å; Y207-Y221 HydrophobicContact CE2-CG 4.08Å; Y221-R223 HydrophobicContact CD1-CG 4.08Å; Y221-R223 HydrophobicContact CE1-CG 3.44Å; Y221-R223 VanDerWaalsContact CE1-CG 3.44Å |
| 222 | D | 66.1 | Low | 67 | Low | 40 Ų | 40 | 60.3 Ų | 60.3 | 21% | 0.214 | 32% | 0.315 | C | S | . | . | trans | -112.7 | 93.3 | -177.8 | -158.4 | -38.6 | 0 | 0 | 0 | 108.7 | K220 S224 R225 | K220-D222 WeakPolarHBondContact CE-OD2 3.35Å; K220-D222 IonicContact NZ-OD2 2.75Å; K220-D222 PolarHBondContact NZ-OD2 2.9Å; D222-S224 PolarHBondContact O-N 3.07Å; D222-S224 WeakPolarHBondContact OD1-CB 3.25Å; D222-S224 PolarHBondContact OD1-N 3.42Å; D222-S224 PolarHBondContact OD1-OG 3.36Å; D222-R225 PolarHBondContact O-N 3.16Å | ||
| 223 | R | 61.5 | Low | 65.9 | Low | 53 Ų | 53 | 65 Ų | 65 | 20% | 0.2 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -52.1 | -19.4 | -177.2 | -65.2 | -179.3 | -176.6 | -170.1 | 10.1 | 113.7 | T110 D112 E205 Y221 R225 | T110-R223 PolarHBondContact OG1-NH2 2.91Å; D112-R223 IonicContact OD1-CZ 2.58Å; D112-R223 IonicContact OD1-NH1 3.44Å; D112-R223 IonicContact OD1-NH2 2.71Å; D112-R223 PolarHBondContact OD1-NH2 2.99Å; D112-R223 IonicContact OD2-CZ 2.67Å; D112-R223 IonicContact OD2-NH1 2.74Å; D112-R223 PolarHBondContact OD2-NH1 3.14Å; D112-R223 IonicContact OD2-NH2 3.37Å; D112-R223 PolarHBondContact OD2-NH2 3.47Å; E205-R223 IonicContact OE1-CZ 3.89Å; E205-R223 IonicContact OE1-NE 3.28Å; E205-R223 IonicContact OE1-NH2 2.64Å; E205-R223 PolarHBondContact OE1-NH2 3.32Å; E205-R223 IonicContact OE2-CZ 2.65Å; E205-R223 IonicContact OE2-NE 2.73Å; E205-R223 PolarHBondContact OE2-NE 3.37Å; E205-R223 IonicContact OE2-NH2 3.15Å; E205-R223 PolarHBondContact OE2-NH2 3.42Å; E205-R223 VanDerWaalsContact OE2-NH2 3.12Å; Y221-R223 HydrophobicContact CD1-CG 4.08Å; Y221-R223 HydrophobicContact CE1-CG 3.44Å; Y221-R223 VanDerWaalsContact CE1-CG 3.44Å; R223-R225 VanDerWaalsContact C-N 3.31Å; R223-R225 PolarHBondContact O-N 3.49Å |
| 224 | S | 58.2 | Low | 65 | Low | 80 Ų | 80 | 62.7 Ų | 62.7 | 56% | 0.559 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -72.7 | -17 | 179.3 | 71.9 | 0 | 0 | 0 | 0 | 114.7 | D222 | D222-S224 PolarHBondContact O-N 3.07Å; D222-S224 WeakPolarHBondContact OD1-CB 3.25Å; D222-S224 PolarHBondContact OD1-N 3.42Å; D222-S224 PolarHBondContact OD1-OG 3.36Å |
| 225 | R | 54.3 | Low | 64.8 | Low | 144 Ų | 144 | 65.7 Ų | 65.7 | 54% | 0.543 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -120.5 | 47.1 | -170.1 | -61.9 | -167.9 | -177.8 | -162.9 | -1.2 | 114.1 | D222 R223 N227 D228 | D222-R225 PolarHBondContact O-N 3.16Å; R223-R225 VanDerWaalsContact C-N 3.31Å; R223-R225 PolarHBondContact O-N 3.49Å; R225-N227 PolarHBondContact O-N 3.41Å; R225-D228 HydrophobicContact CB-CB 4.35Å; R225-D228 CarbonylContact O-C 3.34Å; R225-D228 PolarHBondContact O-N 2.66Å |
| 226 | E | 49.1 | Very low | 64.6 | Low | 95 Ų | 95 | 68 Ų | 68 | 44% | 0.444 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -25 | -174.1 | -53.4 | -167.6 | 175.7 | 0 | 0 | 115.6 | R129 | R129-E226 IonicContact CZ-OE1 2.61Å; R129-E226 IonicContact CZ-OE2 3.47Å; R129-E226 IonicContact NE-OE1 2.7Å; R129-E226 IonicContact NH1-OE1 3.61Å; R129-E226 PolarHBondContact NH1-OE1 2.8Å; R129-E226 IonicContact NH1-OE2 2.7Å; R129-E226 PolarHBondContact NH1-OE2 3.39Å; R129-E226 IonicContact NH2-OE1 2.72Å; R129-E226 PolarHBondContact NH2-OE1 2.79Å; R129-E226 IonicContact NH2-OE2 3.05Å; R129-E226 PolarHBondContact NH2-OE2 2.82Å |
| 227 | N | 49 | Very low | 64.4 | Low | 158 Ų | 158 | 69 Ų | 69 | 85% | 0.845 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -19.2 | 178 | -66.3 | -33.2 | 0 | 0 | 0 | 114.2 | R225 | R225-N227 PolarHBondContact O-N 3.41Š|
| 228 | D | 45.9 | Very low | 64.4 | Low | 120 Ų | 120 | 69.1 Ų | 69.1 | 64% | 0.642 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -107 | 78.2 | -178.9 | -82.7 | -37.9 | 0 | 0 | 0 | 109.1 | R225 S230 | R225-D228 HydrophobicContact CB-CB 4.35Å; R225-D228 CarbonylContact O-C 3.34Å; R225-D228 PolarHBondContact O-N 2.66Å; D228-S230 PolarHBondContact O-N 3.15Å |
| 229 | I | 41 | Very low | 64.5 | Low | 84 Ų | 84 | 70.7 Ų | 70.7 | 43% | 0.431 | 37% | 0.373 | S | S | . | . | trans | -74.2 | 72.1 | -174.6 | -50.7 | -178.1 | 0 | 0 | 0 | 110.7 | F142 V231 S232 | F142-I229 HydrophobicContact CB-CD1 4.45Å; F142-I229 HydrophobicContact CB-CG2 4.03Å; I229-V231 HydrophobicContact CG2-CB 3.72Å; I229-V231 HydrophobicContact CG2-CG2 3.74Å; I229-V231 PolarHBondContact O-N 3.06Å; I229-V231 VanDerWaalsContact O-N 3.11Å; I229-S232 PolarHBondContact O-N 2.97Å | ||
| 230 | S | 45 | Very low | 64.9 | Low | 88 Ų | 88 | 70.9 Ų | 70.9 | 62% | 0.615 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 7.1 | 163.9 | 65.1 | 0 | 0 | 0 | 0 | 112.9 | D228 S232 | D228-S230 PolarHBondContact O-N 3.15Å; S230-S232 PolarHBondContact O-N 3.14Å |
| 231 | V | 53.1 | Low | 65.2 | Low | 18 Ų | 18 | 71.5 Ų | 71.5 | 11% | 0.109 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 2.7 | 169.6 | -150.7 | 0 | 0 | 0 | 0 | 112.1 | F142 I219 I229 Q233 | F142-V231 HydrophobicContact CD1-CB 4.41Å; F142-V231 HydrophobicContact CD1-CG1 4.09Å; F142-V231 HydrophobicContact CD1-CG2 4.31Å; F142-V231 HydrophobicContact CD2-CB 4.44Å; F142-V231 HydrophobicContact CD2-CG1 3.97Å; F142-V231 HydrophobicContact CE1-CG1 3.85Å; F142-V231 HydrophobicContact CE2-CG1 3.73Å; F142-V231 HydrophobicContact CG-CB 4.33Å; F142-V231 HydrophobicContact CG-CG1 4.15Å; F142-V231 HydrophobicContact CZ-CG1 3.68Å; I219-V231 HydrophobicContact CG2-CG1 3.43Å; I219-V231 VanDerWaalsContact CG2-CG1 3.43Å; I229-V231 HydrophobicContact CG2-CB 3.72Å; I229-V231 HydrophobicContact CG2-CG2 3.74Å; I229-V231 PolarHBondContact O-N 3.06Å; I229-V231 VanDerWaalsContact O-N 3.11Å; V231-Q233 PolarHBondContact O-N 2.79Å |
| 232 | S | 50.7 | Low | 65.7 | Low | 80 Ų | 80 | 71.9 Ų | 71.9 | 56% | 0.559 | 39% | 0.385 | S | S | * | . | trans | -60.6 | -7.4 | -177.1 | 60.1 | 0 | 0 | 0 | 0 | 116 | I229 S230 | I229-S232 PolarHBondContact O-N 2.97Å; S230-S232 PolarHBondContact O-N 3.14Å | ||
| 233 | Q | 60.6 | Low | 66.5 | Low | 137 Ų | 137 | 73.9 Ų | 73.9 | 64% | 0.64 | 39% | 0.391 | S | S | * | . | trans | -133.7 | 114.6 | 177.2 | -62.7 | -176.9 | 3.2 | 0 | 0 | 109.9 | V231 N235 | V231-Q233 PolarHBondContact O-N 2.79Å; Q233-N235 PolarHBondContact O-N 3Å | ||
| 234 | A | 68.2 | Low | 67.6 | Low | 20 Ų | 20 | 71.3 Ų | 71.3 | 17% | 0.165 | 38% | 0.381 | C | S | . | . | trans | -67.4 | 120.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | L144 V146 F209 M217 I219 | L144-A234 HydrophobicContact CD2-CB 3.48Å; L144-A234 VanDerWaalsContact CD2-CB 3.48Å; V146-A234 HydrophobicContact CG2-CB 4.17Å; F209-A234 HydrophobicContact CE1-CB 4.26Å; F209-A234 HydrophobicContact CZ-CB 3.74Å; M217-A234 HydrophobicContact CE-CB 3.77Å; M217-A234 WeakPolarHBondContact CE-O 3.47Å; I219-A234 HydrophobicContact CD1-CB 4.46Å; I219-A234 HydrophobicContact CG1-CB 4.14Å | ||
| 235 | N | 80.5 | Confident | 68.7 | Low | 62 Ų | 62 | 69.1 Ų | 69.1 | 33% | 0.332 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 135.6 | -177 | -75.6 | -21.7 | 0 | 0 | 0 | 109.7 | M217 Y218 Q233 L237 | M217-N235 CarbonylContact C-O 3.58Å; M217-N235 WeakPolarHBondContact CA-O 3.47Å; Y218-N235 HydrophobicContact CD1-CB 3.7Å; Y218-N235 WeakPolarHBondContact CD1-O 3.49Å; Y218-N235 HydrophobicContact CE1-CB 3.3Å; Y218-N235 HydrophobicContact CE2-CB 4.27Å; Y218-N235 HydrophobicContact CG-CB 4.38Å; Y218-N235 PolarHBondContact N-O 2.94Å; Y218-N235 PolarHBondContact O-N 3.32Å; Y218-N235 PolarHBondContact OH-ND2 3.48Å; Q233-N235 PolarHBondContact O-N 3Å; N235-L237 PolarHBondContact O-N 3.49Å |
| 236 | K | 83.6 | Confident | 70 | Confident | 118 Ų | 118 | 64.4 Ų | 64.4 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 115 | 173.5 | -179.7 | -177.3 | 176.2 | 175.2 | 0 | 109 | R215 M217 A238 C239 | R215-K236 HydrophobicContact CG-CD 4.06Å; R215-K236 HydrophobicContact CG-CG 4.19Å; M217-K236 HydrophobicContact CE-CB 4.44Å; M217-K236 HydrophobicContact SD-CB 3.91Å; M217-K236 HydrophobicContact SD-CG 4.37Å; K236-A238 WeakPolarHBondContact CE-O 3.46Å; K236-A238 WeakPolarHBondContact CG-O 3.42Å; K236-C239 VanDerWaalsContact CE-CB 3.43Å; K236-C239 VanDerWaalsContact CE-SG 3.53Å; K236-C239 PolarHBondContact NZ-SG 3.27Å |
| 237 | L | 85.2 | Confident | 71.9 | Confident | 21 Ų | 21 | 60 Ų | 60 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -47.7 | 175.8 | -170 | 56.3 | 0 | 0 | 0 | 111.2 | L208 I216 Y218 N235 L256 I276 V278 | L208-L237 HydrophobicContact CD1-CD2 4.47Å; L208-L237 HydrophobicContact CD2-CD2 3.59Å; I216-L237 HydrophobicContact CB-CB 4.4Å; I216-L237 HydrophobicContact CG2-CB 4.15Å; I216-L237 HydrophobicContact CG2-CD2 4.23Å; I216-L237 PolarHBondContact O-N 2.94Å; Y218-L237 HydrophobicContact CD1-CB 3.97Å; Y218-L237 HydrophobicContact CD1-CD1 3.97Å; Y218-L237 HydrophobicContact CD1-CG 4.45Å; Y218-L237 HydrophobicContact CE1-CD1 4.32Å; N235-L237 PolarHBondContact O-N 3.49Å; L237-L256 HydrophobicContact CD2-CD2 4.03Å; L237-I276 HydrophobicContact CD1-CB 3.86Å; L237-I276 HydrophobicContact CD1-CG2 3.69Å; L237-I276 HydrophobicContact CD2-CG2 4.13Å; L237-V278 HydrophobicContact CD1-CB 4.45Å; L237-V278 HydrophobicContact CD1-CG1 3.97Å; L237-V278 HydrophobicContact CD1-CG2 3.9Å; L237-V278 HydrophobicContact CD2-CG1 3.92Å; L237-V278 HydrophobicContact CG-CB 4.46Å; L237-V278 HydrophobicContact CG-CG1 3.88Å; L237-V278 HydrophobicContact CG-CG2 3.75Å; L237-V278 VanDerWaalsContact O-CG2 3.3Å; L237-V278 WeakPolarHBondContact O-CG2 3.23Å |
| 238 | A | 86.3 | Confident | 73.6 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 8% | 0.083 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 174 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I216 K236 Y268 V278 | I216-A238 HydrophobicContact CB-CB 4.09Å; I216-A238 HydrophobicContact CD1-CB 3.99Å; I216-A238 HydrophobicContact CG1-CB 4.2Å; I216-A238 PolarHBondContact N-O 3.48Å; I216-A238 PolarHBondContact O-N 3.04Å; K236-A238 WeakPolarHBondContact CE-O 3.46Å; K236-A238 WeakPolarHBondContact CG-O 3.42Å; A238-Y268 HydrophobicContact CB-CE1 4.16Å; A238-Y268 HydrophobicContact CB-CE2 3.9Å; A238-V278 HydrophobicContact CB-CG2 4.22Å |
| 239 | C | 88.8 | Confident | 75.2 | Confident | 66 Ų | 66 | 49 Ų | 49 | 45% | 0.446 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 101.7 | 170.8 | -141.5 | 0 | 0 | 0 | 0 | 109.6 | K236 | K236-C239 VanDerWaalsContact CE-CB 3.43Å; K236-C239 VanDerWaalsContact CE-SG 3.53Å; K236-C239 PolarHBondContact NZ-SG 3.27Å |
| 240 | C | 86.8 | Confident | 76.9 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.034 | 26% | 0.255 | C | S | . | . | trans | -84 | 155.6 | 171.2 | -55.1 | 0 | 0 | 0 | 0 | 110 | G214 G242 I244 T260 Y266 | G214-C240 WeakPolarHBondContact CA-O 3.43Å; G214-C240 PolarHBondContact O-N 3.4Å; C240-G242 PolarHBondContact O-N 3.28Å; C240-I244 HydrophobicContact CB-CG1 4.33Å; C240-T260 HydrophobicContact CB-CG2 3.55Å; C240-Y266 HydrophobicContact CB-CD2 3.69Å; C240-Y266 HydrophobicContact CB-CE2 3.53Å; C240-Y266 HydrophobicContact CB-CG 4.32Å | ||
| 241 | E | 84.4 | Confident | 78.1 | Confident | 93 Ų | 93 | 48.2 Ų | 48.2 | 44% | 0.435 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -84 | 105.7 | 175.9 | -77.4 | 153.8 | -138.4 | 0 | 0 | 110.9 | T260 K262 L264 Y266 K283 | E241-T260 PolarHBondContact O-OG1 3.06Å; E241-T260 VanDerWaalsContact O-OG1 3.1Å; E241-K262 HydrophobicContact CB-CD 4.28Å; E241-K262 VanDerWaalsContact O-CD 3.32Å; E241-K262 WeakPolarHBondContact O-CD 3.3Å; E241-L264 HydrophobicContact CB-CD1 3.68Å; E241-Y266 WeakPolarHBondContact CB-OH 3.45Å; E241-Y266 WeakPolarHBondContact CG-OH 3.46Å; E241-Y266 PolarHBondContact N-OH 3.45Å; E241-Y266 PolarHBondContact OE1-OH 2.97Å; E241-K283 IonicContact OE1-NZ 3.82Å; E241-K283 PolarHBondContact OE1-NZ 2.58Å; E241-K283 IonicContact OE2-NZ 2.69Å; E241-K283 PolarHBondContact OE2-NZ 2.93Å |
| 242 | G | 81 | Confident | 78.7 | Confident | 17 Ų | 17 | 49.4 Ų | 49.4 | 18% | 0.175 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 93.2 | 173.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | G214 C240 I244 | G214-G242 WeakPolarHBondContact CA-O 3.24Å; C240-G242 PolarHBondContact O-N 3.28Å; G242-I244 PolarHBondContact O-N 3.36Å |
| 243 | Y | 82.9 | Confident | 79.7 | Confident | 82 Ų | 82 | 47.8 Ų | 47.8 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | trans | -51.8 | 127 | -175.9 | -173.8 | -70.3 | 0 | 0 | 0 | 111.8 | S151 C212 L245 T260 E261 | S151-Y243 VanDerWaalsContact CB-CE1 3.48Å; S151-Y243 WeakPolarHBondContact CB-OH 3.43Å; C212-Y243 HydrophobicContact CB-CD2 3.53Å; C212-Y243 HydrophobicContact CB-CE2 3.53Å; C212-Y243 HydrophobicContact CB-CG 4.47Å; C212-Y243 WeakPolarHBondContact O-CA 3.41Å; C212-Y243 WeakPolarHBondContact SG-CE2 3.43Å; Y243-L245 HydrophobicContact CD1-CD2 3.87Å; Y243-L245 HydrophobicContact CD1-CG 4.46Å; Y243-L245 HydrophobicContact CE1-CD2 3.98Å; Y243-T260 CarbonylContact O-C 3.58Å; Y243-T260 WeakPolarHBondContact O-CA 3.47Å; Y243-T260 VanDerWaalsContact O-CB 3.26Å; Y243-T260 WeakPolarHBondContact O-CB 3.15Å; Y243-E261 WeakPolarHBondContact CB-OE2 3.46Å; Y243-E261 PolarHBondContact O-N 2.83Å | ||
| 244 | I | 85.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 120.7 | 176.6 | -66.6 | 155.1 | 0 | 0 | 0 | 109.3 | S151 R215 I216 C240 G242 I247 T260 | S151-I244 WeakPolarHBondContact CB-O 3.29Å; S151-I244 PolarHBondContact OG-O 3.43Å; R215-I244 VanDerWaalsContact C-CD1 3.49Å; R215-I244 WeakPolarHBondContact O-CD1 3.49Å; I216-I244 HydrophobicContact CG1-CD1 3.68Å; C240-I244 HydrophobicContact CB-CG1 4.33Å; G242-I244 PolarHBondContact O-N 3.36Å; I244-I247 HydrophobicContact CG2-CD1 4.07Å; I244-I247 HydrophobicContact CG2-CG1 3.67Å; I244-T260 HydrophobicContact CG1-CG2 4.34Å |
| 245 | L | 80.3 | Confident | 81.2 | Confident | 34 Ų | 34 | 42.9 Ų | 42.9 | 18% | 0.178 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -38.7 | 178 | -66.8 | 176.4 | 0 | 0 | 0 | 112.7 | Y243 V259 E261 L288 | Y243-L245 HydrophobicContact CD1-CD2 3.87Å; Y243-L245 HydrophobicContact CD1-CG 4.46Å; Y243-L245 HydrophobicContact CE1-CD2 3.98Å; L245-V259 PolarHBondContact N-O 3.37Å; L245-E261 HydrophobicContact CD2-CB 4.5Å; L245-E261 HydrophobicContact CG-CB 4.37Å; L245-L288 HydrophobicContact CD1-CD2 4.45Å |
| 246 | N | 82.5 | Confident | 81.5 | Confident | 44 Ų | 44 | 40 Ų | 40 | 24% | 0.235 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 151.4 | -177.1 | -161.8 | 3.8 | 0 | 0 | 0 | 111 | A258 V259 | N246-A258 WeakPolarHBondContact O-CA 3.46Å; N246-V259 PolarHBondContact N-O 3.31Å; N246-V259 PolarHBondContact O-N 3.46Å |
| 247 | I | 87.6 | Confident | 81.7 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 134.3 | 173.1 | -57.7 | 175.2 | 0 | 0 | 0 | 107.8 | I154 I216 I244 L256 L257 A258 | I154-I247 HydrophobicContact CD1-CB 4.37Å; I154-I247 HydrophobicContact CD1-CG2 3.71Å; I154-I247 HydrophobicContact CG1-CB 4.47Å; I154-I247 HydrophobicContact CG1-CG2 4.1Å; I154-I247 VanDerWaalsContact CG2-O 3.32Å; I154-I247 WeakPolarHBondContact CG2-O 3.42Å; I216-I247 HydrophobicContact CG1-CD1 4.31Å; I216-I247 HydrophobicContact CG2-CD1 4.09Å; I244-I247 HydrophobicContact CG2-CD1 4.07Å; I244-I247 HydrophobicContact CG2-CG1 3.67Å; I247-L256 HydrophobicContact CG2-CD1 3.52Å; I247-L256 HydrophobicContact CG2-CG 4.41Å; I247-L257 CarbonylContact C-O 2.88Å; I247-L257 VanDerWaalsContact CA-O 3.29Å; I247-L257 WeakPolarHBondContact CA-O 3.36Å; I247-A258 HydrophobicContact CG1-CB 4.28Å |
| 248 | L | 85 | Confident | 81.9 | Confident | 27 Ų | 27 | 33.3 Ų | 33.3 | 14% | 0.141 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 139.8 | -177.3 | -58.6 | 140.9 | 0 | 0 | 0 | 109 | L256 L257 V296 | L248-L256 CarbonylContact O-C 3.6Å; L248-L256 WeakPolarHBondContact O-CA 3.4Å; L248-L257 HydrophobicContact CB-CB 4.4Å; L248-L257 PolarHBondContact N-O 3.17Å; L248-L257 PolarHBondContact O-N 3.21Å; L248-V296 HydrophobicContact CD1-CB 3.74Å; L248-V296 HydrophobicContact CD1-CG1 3.48Å; L248-V296 VanDerWaalsContact CD1-CG1 3.48Å; L248-V296 HydrophobicContact CD1-CG2 4.41Å |
| 249 | S | 80.8 | Confident | 81.8 | Confident | 21 Ų | 21 | 32.9 Ų | 32.9 | 15% | 0.147 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 137.8 | 171.2 | 58.8 | 0 | 0 | 0 | 0 | 110.7 | T255 | S249-T255 VanDerWaalsContact CA-O 3.3Å; S249-T255 WeakPolarHBondContact CA-O 3.16Å |
| 250 | H | 76.7 | Confident | 81.8 | Confident | 21 Ų | 21 | 29.8 Ų | 29.8 | 10% | 0.097 | 16% | 0.155 | C | C | . | . | trans | -82.3 | 149.3 | 172.1 | -163.6 | -126.9 | 0 | 0 | 0 | 111.7 | S252 T253 T255 W298 E301 | H250-S252 PolarHBondContact CE1-OG 3.14Å; H250-S252 PolarHBondContact ND1-OG 2.93Å; H250-T253 WeakPolarHBondContact CB-OG1 3.48Å; H250-T253 PolarHBondContact ND1-OG1 3.49Å; H250-T255 VanDerWaalsContact CB-OG1 3.29Å; H250-T255 WeakPolarHBondContact CB-OG1 3.5Å; H250-T255 PolarHBondContact N-O 3.16Å; H250-W298 HydrophobicContact CB-CD2 4.22Å; H250-W298 HydrophobicContact CB-CH2 4.03Å; H250-W298 HydrophobicContact CB-CZ2 3.63Å; H250-W298 HydrophobicContact CB-CZ3 4.47Å; H250-W298 AromaticContact CD2-CD1 3.96Å; H250-W298 AromaticContact CD2-CD2 3.68Å; H250-W298 AromaticContact CD2-CE2 3.98Å; H250-W298 AromaticContact CD2-CG 3.73Å; H250-E301 PolarHBondContact CE1-O 3.29Å; H250-E301 PolarHBondContact ND1-O 3.05Å | ||
| 251 | K | 68.8 | Low | 81.5 | Confident | 134 Ų | 134 | 36 Ų | 36 | 58% | 0.583 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -80.6 | -17.7 | -172.7 | -64.3 | 177.1 | -175.5 | 165.5 | 0 | 114.3 | ||
| 252 | S | 66.9 | Low | 81.4 | Confident | 43 Ų | 43 | 37.5 Ų | 37.5 | 30% | 0.301 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -123.7 | -32.5 | -177.4 | 53.8 | 0 | 0 | 0 | 0 | 114.7 | H250 | H250-S252 PolarHBondContact CE1-OG 3.14Å; H250-S252 PolarHBondContact ND1-OG 2.93Å |
| 253 | T | 71.7 | Confident | 81.2 | Confident | 46 Ų | 46 | 36.9 Ų | 36.9 | 28% | 0.282 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -93.7 | 5.7 | -171.1 | 54.1 | 0 | 0 | 0 | 0 | 114.8 | H250 T255 | H250-T253 WeakPolarHBondContact CB-OG1 3.48Å; H250-T253 PolarHBondContact ND1-OG1 3.49Å; T253-T255 PolarHBondContact O-N 3.32Å; T253-T255 PolarHBondContact OG1-OG1 2.74Å |
| 254 | N | 77.6 | Confident | 81.3 | Confident | 45 Ų | 45 | 33.8 Ų | 33.8 | 24% | 0.241 | 17% | 0.171 | C | C | . | . | trans | 54.9 | 20.8 | 179.5 | -61.1 | -22.4 | 0 | 0 | 0 | 115.2 | I158 V270 | I158-N254 WeakPolarHBondContact CG2-OD1 3.16Å; N254-V270 PolarHBondContact O-N 2.94Å | ||
| 255 | T | 82.1 | Confident | 81.4 | Confident | 10 Ų | 10 | 33.9 Ų | 33.9 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 137.5 | 175.1 | 58 | 0 | 0 | 0 | 0 | 110.6 | S249 H250 T253 H267 W298 | S249-T255 VanDerWaalsContact CA-O 3.3Å; S249-T255 WeakPolarHBondContact CA-O 3.16Å; H250-T255 VanDerWaalsContact CB-OG1 3.29Å; H250-T255 WeakPolarHBondContact CB-OG1 3.5Å; H250-T255 PolarHBondContact N-O 3.16Å; T253-T255 PolarHBondContact O-N 3.32Å; T253-T255 PolarHBondContact OG1-OG1 2.74Å; T255-H267 WeakPolarHBondContact CG2-NE2 3.25Å; T255-W298 WeakPolarHBondContact OG1-CH2 3.3Å |
| 256 | L | 87.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 120.2 | 174.7 | 175.2 | 72.2 | 0 | 0 | 0 | 108.1 | I154 L208 L237 I247 L248 Y268 V270 V278 | I154-L256 HydrophobicContact CD1-CD1 4.23Å; L208-L256 HydrophobicContact CD1-CD1 3.46Å; L208-L256 VanDerWaalsContact CD1-CD1 3.46Å; L208-L256 HydrophobicContact CD1-CD2 3.8Å; L208-L256 HydrophobicContact CD1-CG 4.29Å; L237-L256 HydrophobicContact CD2-CD2 4.03Å; I247-L256 HydrophobicContact CG2-CD1 3.52Å; I247-L256 HydrophobicContact CG2-CG 4.41Å; L248-L256 CarbonylContact O-C 3.6Å; L248-L256 WeakPolarHBondContact O-CA 3.4Å; L256-Y268 PolarHBondContact N-O 3.08Å; L256-Y268 WeakPolarHBondContact O-CA 3.42Å; L256-Y268 WeakPolarHBondContact O-CB 3.22Å; L256-Y268 PolarHBondContact O-N 3.17Å; L256-V270 HydrophobicContact CB-CG2 3.48Å; L256-V270 VanDerWaalsContact CB-CG2 3.48Å; L256-V270 HydrophobicContact CD2-CG2 4.15Å; L256-V270 HydrophobicContact CG-CG2 4.41Å; L256-V278 HydrophobicContact CD2-CG1 4.06Å |
| 257 | L | 87.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 137.1 | -178.8 | -51 | -177.7 | 0 | 0 | 0 | 109.7 | I247 L248 L265 Y266 H267 W298 L304 W316 | I247-L257 CarbonylContact C-O 2.88Å; I247-L257 VanDerWaalsContact CA-O 3.29Å; I247-L257 WeakPolarHBondContact CA-O 3.36Å; L248-L257 HydrophobicContact CB-CB 4.4Å; L248-L257 PolarHBondContact N-O 3.17Å; L248-L257 PolarHBondContact O-N 3.21Å; L257-L265 HydrophobicContact CD2-CD2 4.46Å; L257-Y266 CarbonylContact C-O 3.57Å; L257-Y266 VanDerWaalsContact CA-O 3.32Å; L257-Y266 WeakPolarHBondContact CA-O 3.4Å; L257-H267 HydrophobicContact CD2-CB 3.84Å; L257-H267 VanDerWaalsContact CD2-CD2 3.49Å; L257-H267 WeakPolarHBondContact CD2-CD2 3.49Å; L257-W298 HydrophobicContact CD1-CH2 3.93Å; L257-W298 HydrophobicContact CD1-CZ2 3.83Å; L257-W298 HydrophobicContact CG-CZ2 4.27Å; L257-L304 HydrophobicContact CD1-CD1 3.68Å; L257-L304 HydrophobicContact CD1-CD2 3.39Å; L257-L304 HydrophobicContact CD1-CG 4.09Å; L257-W316 HydrophobicContact CD1-CZ3 3.92Å; L257-W316 HydrophobicContact CD2-CH2 4.08Å; L257-W316 HydrophobicContact CD2-CZ3 3.81Å |
| 258 | A | 88 | Confident | 82.1 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 129.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | I216 N246 I247 L265 Y266 | I216-A258 HydrophobicContact CD1-CB 3.55Å; I216-A258 HydrophobicContact CG1-CB 4.41Å; N246-A258 WeakPolarHBondContact O-CA 3.46Å; I247-A258 HydrophobicContact CG1-CB 4.28Å; A258-L265 WeakPolarHBondContact O-CA 3.44Å; A258-Y266 PolarHBondContact N-O 3.25Å; A258-Y266 PolarHBondContact O-N 2.7Å |
| 259 | V | 85.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.5 | -178 | 179.4 | 0 | 0 | 0 | 0 | 109.9 | L245 N246 L264 L265 L286 P294 | L245-V259 PolarHBondContact N-O 3.37Å; N246-V259 PolarHBondContact N-O 3.31Å; N246-V259 PolarHBondContact O-N 3.46Å; V259-L264 CarbonylContact C-O 3.54Å; V259-L264 WeakPolarHBondContact CA-O 3.38Å; V259-L265 HydrophobicContact CG2-CB 4.47Å; V259-L265 HydrophobicContact CG2-CD1 4.17Å; V259-L265 HydrophobicContact CG2-CG 4.28Å; V259-L286 HydrophobicContact CG1-CD1 3.67Å; V259-L286 HydrophobicContact CG2-CD1 4.19Å; V259-P294 HydrophobicContact CG1-CG 3.76Å |
| 260 | T | 87.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 158.5 | 179.3 | 79.1 | 0 | 0 | 0 | 0 | 114.3 | C240 E241 Y243 I244 K262 G263 L264 Y266 | C240-T260 HydrophobicContact CB-CG2 3.55Å; E241-T260 PolarHBondContact O-OG1 3.06Å; E241-T260 VanDerWaalsContact O-OG1 3.1Å; Y243-T260 CarbonylContact O-C 3.58Å; Y243-T260 WeakPolarHBondContact O-CA 3.47Å; Y243-T260 VanDerWaalsContact O-CB 3.26Å; Y243-T260 WeakPolarHBondContact O-CB 3.15Å; I244-T260 HydrophobicContact CG1-CG2 4.34Å; T260-K262 PolarHBondContact O-N 3.01Å; T260-K262 PolarHBondContact OG1-N 3.38Å; T260-G263 PolarHBondContact O-N 3.46Å; T260-L264 PolarHBondContact N-O 3.24Å; T260-Y266 HydrophobicContact CG2-CD2 4.28Å; T260-Y266 HydrophobicContact CG2-CE2 4.16Å |
| 261 | E | 81.7 | Confident | 82.2 | Confident | 135 Ų | 135 | 36.6 Ų | 36.6 | 63% | 0.631 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -30.2 | 172.3 | -177.9 | -169.3 | -155.4 | 0 | 0 | 113 | Y243 L245 G263 | Y243-E261 WeakPolarHBondContact CB-OE2 3.46Å; Y243-E261 PolarHBondContact O-N 2.83Å; L245-E261 HydrophobicContact CD2-CB 4.5Å; L245-E261 HydrophobicContact CG-CB 4.37Å; E261-G263 PolarHBondContact O-N 3.38Å; E261-G263 VanDerWaalsContact O-N 3.11Å |
| 262 | K | 82.3 | Confident | 82.2 | Confident | 125 Ų | 125 | 32.9 Ų | 32.9 | 54% | 0.543 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 0.9 | 175.1 | -64 | -168 | -169.6 | 174.2 | 0 | 113.7 | E241 T260 L264 | E241-K262 HydrophobicContact CB-CD 4.28Å; E241-K262 VanDerWaalsContact O-CD 3.32Å; E241-K262 WeakPolarHBondContact O-CD 3.3Å; T260-K262 PolarHBondContact O-N 3.01Å; T260-K262 PolarHBondContact OG1-N 3.38Å; K262-L264 HydrophobicContact CB-CD1 4.25Å; K262-L264 HydrophobicContact CB-CG 4.34Å |
| 263 | G | 76.5 | Confident | 81.8 | Confident | 4 Ų | 4 | 36 Ų | 36 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 44.7 | -173 | 0 | 0 | 0 | 0 | 0 | 111.9 | T260 E261 K285 L286 | T260-G263 PolarHBondContact O-N 3.46Å; E261-G263 PolarHBondContact O-N 3.38Å; E261-G263 VanDerWaalsContact O-N 3.11Å; G263-K285 CarbonylContact O-C 3.56Å; G263-K285 VanDerWaalsContact O-CA 3.3Å; G263-K285 WeakPolarHBondContact O-CA 3.37Å; G263-K285 WeakPolarHBondContact O-CG 3.37Å; G263-L286 PolarHBondContact O-N 3.38Å |
| 264 | L | 85.7 | Confident | 81.1 | Confident | 18 Ų | 18 | 40.1 Ų | 40.1 | 9% | 0.094 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124 | 173.3 | -62.6 | 169.9 | 0 | 0 | 0 | 109.6 | E241 V259 T260 K262 Y266 M284 K285 | E241-L264 HydrophobicContact CB-CD1 3.68Å; V259-L264 CarbonylContact C-O 3.54Å; V259-L264 WeakPolarHBondContact CA-O 3.38Å; T260-L264 PolarHBondContact N-O 3.24Å; K262-L264 HydrophobicContact CB-CD1 4.25Å; K262-L264 HydrophobicContact CB-CG 4.34Å; L264-Y266 HydrophobicContact CB-CD2 4.1Å; L264-Y266 HydrophobicContact CB-CE2 3.63Å; L264-Y266 HydrophobicContact CD1-CE2 4.09Å; L264-M284 CarbonylContact C-O 2.94Å; L264-M284 WeakPolarHBondContact CA-O 3.43Å; L264-K285 HydrophobicContact CD2-CB 4.3Å; L264-K285 HydrophobicContact CD2-CG 4.34Å |
| 265 | L | 87.1 | Confident | 80.4 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 120.1 | 165.4 | -176.1 | 150.7 | 0 | 0 | 0 | 107.8 | L257 A258 V259 H267 K283 M284 L286 L304 M306 W316 | L257-L265 HydrophobicContact CD2-CD2 4.46Å; A258-L265 WeakPolarHBondContact O-CA 3.44Å; V259-L265 HydrophobicContact CG2-CB 4.47Å; V259-L265 HydrophobicContact CG2-CD1 4.17Å; V259-L265 HydrophobicContact CG2-CG 4.28Å; L265-H267 HydrophobicContact CD2-CB 4.45Å; L265-K283 WeakPolarHBondContact O-CA 3.29Å; L265-M284 HydrophobicContact CB-CB 4.49Å; L265-M284 PolarHBondContact N-O 3.27Å; L265-M284 PolarHBondContact O-N 2.88Å; L265-L286 HydrophobicContact CB-CD1 3.89Å; L265-L286 HydrophobicContact CB-CD2 4.02Å; L265-L286 HydrophobicContact CB-CG 3.82Å; L265-L286 HydrophobicContact CD1-CD1 4.39Å; L265-L286 HydrophobicContact CD1-CD2 4.29Å; L265-L304 HydrophobicContact CD1-CD2 4.26Å; L265-M306 HydrophobicContact CD1-SD 3.79Å; L265-W316 HydrophobicContact CD1-CE3 4.45Å; L265-W316 HydrophobicContact CD1-CZ3 4.42Å; L265-W316 HydrophobicContact CD2-CE3 4.33Å; L265-W316 HydrophobicContact CD2-CH2 4.19Å; L265-W316 HydrophobicContact CD2-CZ3 3.69Å |
| 266 | Y | 88.6 | Confident | 79.9 | Confident | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 123.6 | 172.5 | -73.7 | -95.9 | 0 | 0 | 0 | 108.9 | C240 E241 L257 A258 T260 L264 Y268 E280 K283 | C240-Y266 HydrophobicContact CB-CD2 3.69Å; C240-Y266 HydrophobicContact CB-CE2 3.53Å; C240-Y266 HydrophobicContact CB-CG 4.32Å; E241-Y266 WeakPolarHBondContact CB-OH 3.45Å; E241-Y266 WeakPolarHBondContact CG-OH 3.46Å; E241-Y266 PolarHBondContact N-OH 3.45Å; E241-Y266 PolarHBondContact OE1-OH 2.97Å; L257-Y266 CarbonylContact C-O 3.57Å; L257-Y266 VanDerWaalsContact CA-O 3.32Å; L257-Y266 WeakPolarHBondContact CA-O 3.4Å; A258-Y266 PolarHBondContact N-O 3.25Å; A258-Y266 PolarHBondContact O-N 2.7Å; T260-Y266 HydrophobicContact CG2-CD2 4.28Å; T260-Y266 HydrophobicContact CG2-CE2 4.16Å; L264-Y266 HydrophobicContact CB-CD2 4.1Å; L264-Y266 HydrophobicContact CB-CE2 3.63Å; L264-Y266 HydrophobicContact CD1-CE2 4.09Å; Y266-Y268 HydrophobicContact CD1-CE2 4.39Å; Y266-Y268 AromaticContact CD1-CZ 3.89Å; Y266-Y268 WeakPolarHBondContact CD1-OH 3.35Å; Y266-Y268 HydrophobicContact CG-CE2 4.24Å; Y266-E280 HydrophobicContact CD1-CG 4.43Å; Y266-E280 VanDerWaalsContact CD1-OE2 3.31Å; Y266-E280 WeakPolarHBondContact CD1-OE2 3.25Å; Y266-K283 HydrophobicContact CD1-CB 4.35Å; Y266-K283 HydrophobicContact CD1-CD 4.45Å; Y266-K283 HydrophobicContact CD1-CG 4.09Å; Y266-K283 HydrophobicContact CE1-CB 4.39Å; Y266-K283 HydrophobicContact CE1-CD 3.69Å; Y266-K283 HydrophobicContact CE1-CG 3.78Å; Y266-K283 VanDerWaalsContact OH-CE 3.27Å; Y266-K283 WeakPolarHBondContact OH-CE 3.25Å |
| 267 | H | 88.2 | Confident | 79.5 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 5% | 0.046 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 118.7 | 171.1 | 178 | -164.6 | 0 | 0 | 0 | 109.1 | T255 L257 L265 V281 T282 W316 | T255-H267 WeakPolarHBondContact CG2-NE2 3.25Å; L257-H267 HydrophobicContact CD2-CB 3.84Å; L257-H267 VanDerWaalsContact CD2-CD2 3.49Å; L257-H267 WeakPolarHBondContact CD2-CD2 3.49Å; L265-H267 HydrophobicContact CD2-CB 4.45Å; H267-V281 HydrophobicContact CB-CB 4.45Å; H267-V281 PolarHBondContact O-N 3.27Å; H267-T282 WeakPolarHBondContact CB-OG1 3.34Å; H267-T282 PolarHBondContact N-O 3.08Å; H267-W316 HydrophobicContact CB-CH2 3.88Å; H267-W316 AromaticContact CG-CH2 3.76Å; H267-W316 AromaticContact ND1-CH2 3.57Å; H267-W316 AromaticContact ND1-CZ2 3.93Å |
| 268 | Y | 88.3 | Confident | 79.3 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 3% | 0.027 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128.6 | 175.2 | -66.8 | -65.7 | 0 | 0 | 0 | 110.4 | I216 A238 L256 Y266 V278 K279 E280 | I216-Y268 HydrophobicContact CD1-CD2 4.11Å; I216-Y268 HydrophobicContact CD1-CE2 3.8Å; A238-Y268 HydrophobicContact CB-CE1 4.16Å; A238-Y268 HydrophobicContact CB-CE2 3.9Å; L256-Y268 PolarHBondContact N-O 3.08Å; L256-Y268 WeakPolarHBondContact O-CA 3.42Å; L256-Y268 WeakPolarHBondContact O-CB 3.22Å; L256-Y268 PolarHBondContact O-N 3.17Å; Y266-Y268 HydrophobicContact CD1-CE2 4.39Å; Y266-Y268 AromaticContact CD1-CZ 3.89Å; Y266-Y268 WeakPolarHBondContact CD1-OH 3.35Å; Y266-Y268 HydrophobicContact CG-CE2 4.24Å; Y268-V278 HydrophobicContact CD1-CB 3.97Å; Y268-V278 HydrophobicContact CD1-CG2 4.08Å; Y268-V278 HydrophobicContact CG-CB 4.12Å; Y268-V278 HydrophobicContact CG-CG1 4.42Å; Y268-V278 HydrophobicContact CG-CG2 4.43Å; Y268-K279 CarbonylContact C-O 3.6Å; Y268-K279 VanDerWaalsContact CA-O 3.31Å; Y268-K279 WeakPolarHBondContact CA-O 3.44Å; Y268-E280 HydrophobicContact CD1-CB 4.04Å; Y268-E280 HydrophobicContact CD1-CG 4.31Å; Y268-E280 HydrophobicContact CE1-CB 3.7Å; Y268-E280 HydrophobicContact CE1-CG 3.77Å; Y268-E280 VanDerWaalsContact CE1-OE2 3.28Å; Y268-E280 WeakPolarHBondContact CE1-OE2 3.23Å; Y268-E280 PolarHBondContact OH-OE2 3.41Å |
| 269 | H | 85.3 | Confident | 79.2 | Confident | 76 Ų | 76 | 50.3 Ų | 50.3 | 35% | 0.352 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 124.9 | 162 | -177.5 | -51.2 | 0 | 0 | 0 | 107.8 | V278 K279 V281 | H269-V278 WeakPolarHBondContact O-CA 3.42Å; H269-K279 PolarHBondContact N-O 3.47Å; H269-K279 PolarHBondContact O-N 3.37Å; H269-V281 HydrophobicContact CB-CG2 3.65Å |
| 270 | V | 82.2 | Confident | 79.3 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 142.3 | 179.5 | -169 | 0 | 0 | 0 | 0 | 110.6 | L156 I158 N254 L256 I276 V278 | L156-V270 HydrophobicContact CD1-CG2 4.33Å; L156-V270 HydrophobicContact CD2-CG1 4.08Å; I158-V270 HydrophobicContact CD1-CB 3.99Å; I158-V270 HydrophobicContact CD1-CG1 3.7Å; N254-V270 PolarHBondContact O-N 2.94Å; L256-V270 HydrophobicContact CB-CG2 3.48Å; L256-V270 VanDerWaalsContact CB-CG2 3.48Å; L256-V270 HydrophobicContact CD2-CG2 4.15Å; L256-V270 HydrophobicContact CG-CG2 4.41Å; V270-I276 HydrophobicContact CG1-CG2 3.48Å; V270-I276 VanDerWaalsContact CG1-CG2 3.48Å; V270-V278 HydrophobicContact CG2-CG1 4.13Å |
| 271 | K | 78.1 | Confident | 79.1 | Confident | 108 Ų | 108 | 58 Ų | 58 | 47% | 0.47 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 141 | 169.9 | -72.3 | -168.3 | 167.6 | -152.1 | 0 | 110.6 | D273 S277 | K271-D273 WeakPolarHBondContact CD-OD2 3.3Å; K271-S277 PolarHBondContact N-O 3.23Å; K271-S277 PolarHBondContact O-N 2.96Å |
| 272 | L | 68.1 | Low | 79.3 | Confident | 57 Ų | 57 | 53.6 Ų | 53.6 | 30% | 0.298 | 29% | 0.287 | S | S | . | . | trans | -106 | 43.6 | -177 | -69.3 | -180 | 0 | 0 | 0 | 112.5 | I158 F206 S274 G275 I276 | I158-L272 HydrophobicContact CB-CD1 4.13Å; I158-L272 HydrophobicContact CD1-CD1 3.92Å; I158-L272 HydrophobicContact CD1-CD2 4.33Å; I158-L272 HydrophobicContact CD1-CG 3.99Å; I158-L272 HydrophobicContact CG2-CD1 3.73Å; F206-L272 HydrophobicContact CD2-CD2 4.01Å; F206-L272 HydrophobicContact CE2-CD1 4.46Å; F206-L272 HydrophobicContact CE2-CD2 3.56Å; F206-L272 HydrophobicContact CZ-CD2 4Å; L272-S274 VanDerWaalsContact C-N 3.27Å; L272-S274 PolarHBondContact O-N 2.92Å; L272-G275 CarbonylContact C-O 3.57Å; L272-G275 WeakPolarHBondContact CA-O 3.26Å; L272-I276 HydrophobicContact CD2-CG1 4.4Å | ||
| 273 | D | 58.5 | Low | 79.5 | Confident | 107 Ų | 107 | 51.8 Ų | 51.8 | 57% | 0.572 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -78 | 74.5 | -175.3 | -58.3 | -23.8 | 0 | 0 | 0 | 110.2 | K271 G275 | K271-D273 WeakPolarHBondContact CD-OD2 3.3Å; D273-G275 PolarHBondContact N-O 3.35Å; D273-G275 PolarHBondContact O-N 3.18Å |
| 274 | S | 56.3 | Low | 79.7 | Confident | 134 Ų | 134 | 53.6 Ų | 53.6 | 94% | 0.937 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 66 | -15.9 | -171.7 | 76.1 | 0 | 0 | 0 | 0 | 117.1 | L272 | L272-S274 VanDerWaalsContact C-N 3.27Å; L272-S274 PolarHBondContact O-N 2.92Å |
| 275 | G | 63.2 | Low | 79.6 | Confident | 21 Ų | 21 | 61 Ų | 61 | 22% | 0.216 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -147 | 179.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L272 D273 S277 | L272-G275 CarbonylContact C-O 3.57Å; L272-G275 WeakPolarHBondContact CA-O 3.26Å; D273-G275 PolarHBondContact N-O 3.35Å; D273-G275 PolarHBondContact O-N 3.18Å; G275-S277 PolarHBondContact O-N 3.05Å |
| 276 | I | 72.8 | Confident | 79 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 6% | 0.056 | 32% | 0.321 | C | S | . | . | trans | -74.9 | 124.9 | 169.3 | -34.9 | -179.2 | 0 | 0 | 0 | 108.6 | L156 F206 L208 Y218 L237 V270 L272 | L156-I276 HydrophobicContact CD2-CD1 4.14Å; L156-I276 HydrophobicContact CD2-CG2 4.34Å; F206-I276 HydrophobicContact CB-CD1 3.67Å; F206-I276 HydrophobicContact CB-CG1 4.37Å; F206-I276 HydrophobicContact CD1-CD1 3.41Å; F206-I276 VanDerWaalsContact CD1-CD1 3.41Å; F206-I276 HydrophobicContact CD1-CG1 3.33Å; F206-I276 HydrophobicContact CD2-CG1 4.48Å; F206-I276 HydrophobicContact CE1-CD1 4.17Å; F206-I276 HydrophobicContact CE1-CG1 3.55Å; F206-I276 HydrophobicContact CG-CD1 3.67Å; F206-I276 HydrophobicContact CG-CG1 3.83Å; F206-I276 HydrophobicContact CZ-CG1 4.24Å; L208-I276 HydrophobicContact CD2-CD1 3.85Å; Y218-I276 HydrophobicContact CD1-CB 4.46Å; Y218-I276 HydrophobicContact CD1-CD1 4.3Å; Y218-I276 HydrophobicContact CD2-CB 4.47Å; Y218-I276 HydrophobicContact CD2-CD1 3.46Å; Y218-I276 VanDerWaalsContact CD2-CD1 3.46Å; Y218-I276 HydrophobicContact CD2-CG1 3.77Å; Y218-I276 HydrophobicContact CE1-CB 4.4Å; Y218-I276 HydrophobicContact CE2-CB 4.46Å; Y218-I276 HydrophobicContact CE2-CD1 4.16Å; Y218-I276 HydrophobicContact CE2-CG1 3.93Å; Y218-I276 HydrophobicContact CG-CB 4.47Å; Y218-I276 HydrophobicContact CG-CD1 3.56Å; Y218-I276 HydrophobicContact CG-CG1 4.13Å; L237-I276 HydrophobicContact CD1-CB 3.86Å; L237-I276 HydrophobicContact CD1-CG2 3.69Å; L237-I276 HydrophobicContact CD2-CG2 4.13Å; V270-I276 HydrophobicContact CG1-CG2 3.48Å; V270-I276 VanDerWaalsContact CG1-CG2 3.48Å; L272-I276 HydrophobicContact CD2-CG1 4.4Å | ||
| 277 | S | 79.1 | Confident | 78 | Confident | 51 Ų | 51 | 63.9 Ų | 63.9 | 36% | 0.357 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 156.8 | 158.7 | 65.5 | 0 | 0 | 0 | 0 | 109.7 | K271 G275 | K271-S277 PolarHBondContact N-O 3.23Å; K271-S277 PolarHBondContact O-N 2.96Å; G275-S277 PolarHBondContact O-N 3.05Å |
| 278 | V | 83.3 | Confident | 76.8 | Confident | 34 Ų | 34 | 65.5 Ų | 65.5 | 21% | 0.206 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 138.7 | 175.6 | -76.5 | 0 | 0 | 0 | 0 | 110.3 | L237 A238 L256 Y268 H269 V270 | L237-V278 HydrophobicContact CD1-CB 4.45Å; L237-V278 HydrophobicContact CD1-CG1 3.97Å; L237-V278 HydrophobicContact CD1-CG2 3.9Å; L237-V278 HydrophobicContact CD2-CG1 3.92Å; L237-V278 HydrophobicContact CG-CB 4.46Å; L237-V278 HydrophobicContact CG-CG1 3.88Å; L237-V278 HydrophobicContact CG-CG2 3.75Å; L237-V278 VanDerWaalsContact O-CG2 3.3Å; L237-V278 WeakPolarHBondContact O-CG2 3.23Å; A238-V278 HydrophobicContact CB-CG2 4.22Å; L256-V278 HydrophobicContact CD2-CG1 4.06Å; Y268-V278 HydrophobicContact CD1-CB 3.97Å; Y268-V278 HydrophobicContact CD1-CG2 4.08Å; Y268-V278 HydrophobicContact CG-CB 4.12Å; Y268-V278 HydrophobicContact CG-CG1 4.42Å; Y268-V278 HydrophobicContact CG-CG2 4.43Å; H269-V278 WeakPolarHBondContact O-CA 3.42Å; V270-V278 HydrophobicContact CG2-CG1 4.13Å |
| 279 | K | 84.7 | Confident | 75.3 | Confident | 152 Ų | 152 | 67.8 Ų | 67.8 | 66% | 0.661 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.4 | 167.7 | -175.9 | -171.2 | 174.2 | -167.9 | 0 | 108.1 | Y268 H269 V281 | Y268-K279 CarbonylContact C-O 3.6Å; Y268-K279 VanDerWaalsContact CA-O 3.31Å; Y268-K279 WeakPolarHBondContact CA-O 3.44Å; H269-K279 PolarHBondContact N-O 3.47Å; H269-K279 PolarHBondContact O-N 3.37Å; K279-V281 PolarHBondContact O-N 2.91Å |
| 280 | E | 87.2 | Confident | 73.6 | Confident | 88 Ų | 88 | 72.8 Ų | 72.8 | 41% | 0.411 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 122.4 | 168.7 | -159 | 160 | 119.8 | 0 | 0 | 108.6 | Y266 Y268 | Y266-E280 HydrophobicContact CD1-CG 4.43Å; Y266-E280 VanDerWaalsContact CD1-OE2 3.31Å; Y266-E280 WeakPolarHBondContact CD1-OE2 3.25Å; Y268-E280 HydrophobicContact CD1-CB 4.04Å; Y268-E280 HydrophobicContact CD1-CG 4.31Å; Y268-E280 HydrophobicContact CE1-CB 3.7Å; Y268-E280 HydrophobicContact CE1-CG 3.77Å; Y268-E280 VanDerWaalsContact CE1-OE2 3.28Å; Y268-E280 WeakPolarHBondContact CE1-OE2 3.23Å; Y268-E280 PolarHBondContact OH-OE2 3.41Å |
| 281 | V | 85.2 | Confident | 72.2 | Confident | 73 Ų | 73 | 74.8 Ų | 74.8 | 44% | 0.442 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -52.6 | -179.8 | -178.4 | 0 | 0 | 0 | 0 | 109 | H267 H269 K279 | H267-V281 HydrophobicContact CB-CB 4.45Å; H267-V281 PolarHBondContact O-N 3.27Å; H269-V281 HydrophobicContact CB-CG2 3.65Å; K279-V281 PolarHBondContact O-N 2.91Å |
| 282 | T | 84 | Confident | 71.1 | Confident | 43 Ų | 43 | 76.4 Ų | 76.4 | 26% | 0.264 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 148.7 | 175.4 | 48.1 | 0 | 0 | 0 | 0 | 111.2 | H267 M284 | H267-T282 WeakPolarHBondContact CB-OG1 3.34Å; H267-T282 PolarHBondContact N-O 3.08Å; T282-M284 HydrophobicContact CG2-CE 4.26Å |
| 283 | K | 86.4 | Confident | 71 | Confident | 88 Ų | 88 | 81.2 Ų | 81.2 | 38% | 0.383 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 107.7 | 171.7 | 176.8 | -171.5 | 173 | -172.2 | 0 | 107.9 | E241 L265 Y266 | E241-K283 IonicContact OE1-NZ 3.82Å; E241-K283 PolarHBondContact OE1-NZ 2.58Å; E241-K283 IonicContact OE2-NZ 2.69Å; E241-K283 PolarHBondContact OE2-NZ 2.93Å; L265-K283 WeakPolarHBondContact O-CA 3.29Å; Y266-K283 HydrophobicContact CD1-CB 4.35Å; Y266-K283 HydrophobicContact CD1-CD 4.45Å; Y266-K283 HydrophobicContact CD1-CG 4.09Å; Y266-K283 HydrophobicContact CE1-CB 4.39Å; Y266-K283 HydrophobicContact CE1-CD 3.69Å; Y266-K283 HydrophobicContact CE1-CG 3.78Å; Y266-K283 VanDerWaalsContact OH-CE 3.27Å; Y266-K283 WeakPolarHBondContact OH-CE 3.25Å |
| 284 | M | 82.5 | Confident | 71.8 | Confident | 42 Ų | 42 | 76.5 Ų | 76.5 | 21% | 0.207 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 148.3 | -175 | -56.4 | -166.4 | -173.5 | 0 | 0 | 111.3 | L264 L265 T282 W316 | L264-M284 CarbonylContact C-O 2.94Å; L264-M284 WeakPolarHBondContact CA-O 3.43Å; L265-M284 HydrophobicContact CB-CB 4.49Å; L265-M284 PolarHBondContact N-O 3.27Å; L265-M284 PolarHBondContact O-N 2.88Å; T282-M284 HydrophobicContact CG2-CE 4.26Å; M284-W316 HydrophobicContact CE-CD2 4.36Å; M284-W316 VanDerWaalsContact CE-CE2 3.48Å; M284-W316 HydrophobicContact CE-CH2 4.34Å; M284-W316 HydrophobicContact CE-CZ2 3.5Å |
| 285 | K | 81.9 | Confident | 73 | Confident | 172 Ų | 172 | 71.2 Ų | 71.2 | 75% | 0.748 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 108.3 | 173.6 | -167.9 | 179.9 | 179.7 | -176.6 | 0 | 110.7 | G263 L264 | G263-K285 CarbonylContact O-C 3.56Å; G263-K285 VanDerWaalsContact O-CA 3.3Å; G263-K285 WeakPolarHBondContact O-CA 3.37Å; G263-K285 WeakPolarHBondContact O-CG 3.37Å; L264-K285 HydrophobicContact CD2-CB 4.3Å; L264-K285 HydrophobicContact CD2-CG 4.34Å |
| 286 | L | 74.9 | Confident | 74 | Confident | 13 Ų | 13 | 71 Ų | 71 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | trans | -76.9 | 138.1 | 173.5 | -60 | -178.8 | 0 | 0 | 0 | 110.6 | V259 G263 L265 L288 M306 L308 | V259-L286 HydrophobicContact CG1-CD1 3.67Å; V259-L286 HydrophobicContact CG2-CD1 4.19Å; G263-L286 PolarHBondContact O-N 3.38Å; L265-L286 HydrophobicContact CB-CD1 3.89Å; L265-L286 HydrophobicContact CB-CD2 4.02Å; L265-L286 HydrophobicContact CB-CG 3.82Å; L265-L286 HydrophobicContact CD1-CD1 4.39Å; L265-L286 HydrophobicContact CD1-CD2 4.29Å; L286-L288 VanDerWaalsContact C-N 3.28Å; L286-L288 HydrophobicContact CB-CD1 3.71Å; L286-L288 HydrophobicContact CD1-CD1 4.03Å; L286-L288 PolarHBondContact O-N 2.72Å; L286-L288 VanDerWaalsContact O-N 3.11Å; L286-M306 HydrophobicContact CD2-SD 3.98Å; L286-L308 HydrophobicContact CB-CD1 4.24Å; L286-L308 HydrophobicContact CD1-CD2 3.87Å; L286-L308 HydrophobicContact CD2-CD1 3.93Å; L286-L308 HydrophobicContact CD2-CD2 4.38Å; L286-L308 HydrophobicContact CG-CD2 4.5Å | ||
| 287 | A | 67.7 | Low | 74.6 | Confident | 52 Ų | 52 | 72.3 Ų | 72.3 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | trans | -87.6 | 57.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T289 | A287-T289 PolarHBondContact O-N 2.7Š| ||
| 288 | L | 63.1 | Low | 74.9 | Confident | 45 Ų | 45 | 71.5 Ų | 71.5 | 24% | 0.236 | 37% | 0.369 | C | S | . | . | trans | -58.1 | 124.3 | -180 | -88.3 | 106.9 | 0 | 0 | 0 | 112 | L245 L286 P294 | L245-L288 HydrophobicContact CD1-CD2 4.45Å; L286-L288 VanDerWaalsContact C-N 3.28Å; L286-L288 HydrophobicContact CB-CD1 3.71Å; L286-L288 HydrophobicContact CD1-CD1 4.03Å; L286-L288 PolarHBondContact O-N 2.72Å; L286-L288 VanDerWaalsContact O-N 3.11Å; L288-P294 HydrophobicContact CD2-CB 4.16Å; L288-P294 HydrophobicContact CD2-CG 4.06Å | ||
| 289 | T | 56.8 | Low | 74.7 | Confident | 54 Ų | 54 | 70.1 Ų | 70.1 | 33% | 0.331 | 36% | 0.361 | S | S | . | . | trans | -112.2 | 72.3 | -171 | 29.9 | 0 | 0 | 0 | 0 | 111.4 | A287 C291 L308 G309 K341 | A287-T289 PolarHBondContact O-N 2.7Å; T289-C291 PolarHBondContact O-N 2.88Å; T289-C291 VanDerWaalsContact O-N 3.11Å; T289-L308 PolarHBondContact N-O 2.65Å; T289-L308 PolarHBondContact OG1-O 2.93Å; T289-G309 PolarHBondContact OG1-O 2.92Å; T289-K341 PolarHBondContact O-NZ 3.02Å | ||
| 290 | M | 49.7 | Very low | 74.2 | Confident | 181 Ų | 181 | 64.5 Ų | 64.5 | 89% | 0.892 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 62.8 | 12.6 | 168.5 | -59.9 | -70.9 | -176.6 | 0 | 0 | 117.1 | ||
| 291 | C | 53.1 | Low | 73.4 | Confident | 44 Ų | 44 | 66.9 Ų | 66.9 | 30% | 0.297 | 36% | 0.357 | S | S | . | . | trans | -102 | 119.6 | 168.4 | -69.6 | 0 | 0 | 0 | 0 | 109.1 | T289 Q293 | T289-C291 PolarHBondContact O-N 2.88Å; T289-C291 VanDerWaalsContact O-N 3.11Å; C291-Q293 PolarHBondContact O-N 3.28Å | ||
| 292 | N | 55 | Low | 73 | Confident | 142 Ų | 142 | 64.8 Ų | 64.8 | 76% | 0.759 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -66.8 | -9.5 | -166.5 | -73 | 29 | 0 | 0 | 0 | 116 | ||
| 293 | Q | 66.6 | Low | 72.9 | Confident | 159 Ų | 159 | 63.3 Ų | 63.3 | 74% | 0.743 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -139 | 122.8 | 176.3 | -71.5 | 178.2 | -54.3 | 0 | 0 | 109.2 | C291 | C291-Q293 PolarHBondContact O-N 3.28Š|
| 294 | P | 74 | Confident | 72.9 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 5% | 0.045 | 32% | 0.318 | C | S | . | . | trans | -80.9 | 128.1 | 170 | 30.7 | -29.2 | 0 | 0 | 0 | 109.7 | V259 L288 V296 A307 L308 | V259-P294 HydrophobicContact CG1-CG 3.76Å; L288-P294 HydrophobicContact CD2-CB 4.16Å; L288-P294 HydrophobicContact CD2-CG 4.06Å; P294-V296 HydrophobicContact CB-CG2 4.42Å; P294-A307 WeakPolarHBondContact CA-O 3.48Å; P294-L308 HydrophobicContact CB-CD2 3.97Å | ||
| 295 | S | 81.2 | Confident | 73.2 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 17% | 0.168 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 131.8 | 172.1 | 178 | 0 | 0 | 0 | 0 | 109.2 | A307 I343 N344 V345 | S295-A307 PolarHBondContact N-O 2.9Å; S295-A307 PolarHBondContact O-N 2.9Å; S295-I343 WeakPolarHBondContact CB-O 3.15Å; S295-N344 WeakPolarHBondContact OG-CA 3.4Å; S295-V345 PolarHBondContact OG-N 3.47Å |
| 296 | V | 84.5 | Confident | 73.4 | Confident | 17 Ų | 17 | 49.1 Ų | 49.1 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 135.2 | -172.7 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | L248 P294 L304 V305 M306 | L248-V296 HydrophobicContact CD1-CB 3.74Å; L248-V296 HydrophobicContact CD1-CG1 3.48Å; L248-V296 VanDerWaalsContact CD1-CG1 3.48Å; L248-V296 HydrophobicContact CD1-CG2 4.41Å; P294-V296 HydrophobicContact CB-CG2 4.42Å; V296-L304 HydrophobicContact CG1-CD1 3.66Å; V296-L304 HydrophobicContact CG1-CD2 3.81Å; V296-L304 HydrophobicContact CG1-CG 3.69Å; V296-V305 CarbonylContact C-O 3.57Å; V296-V305 VanDerWaalsContact CA-O 3.25Å; V296-V305 WeakPolarHBondContact CA-O 3.43Å; V296-V305 WeakPolarHBondContact CG1-O 3.38Å; V296-M306 HydrophobicContact CG1-CG 3.85Å; V296-M306 HydrophobicContact CG2-CB 4.41Å; V296-M306 HydrophobicContact CG2-CG 3.99Å |
| 297 | T | 85.1 | Confident | 73.9 | Confident | 38 Ų | 38 | 48.5 Ų | 48.5 | 23% | 0.233 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 156.6 | 176.1 | -174.9 | 0 | 0 | 0 | 0 | 110.5 | V305 V345 | T297-V305 HydrophobicContact CG2-CB 3.86Å; T297-V305 HydrophobicContact CG2-CG2 4.14Å; T297-V305 PolarHBondContact N-O 3.43Å; T297-V305 WeakPolarHBondContact O-CB 3.37Å; T297-V305 PolarHBondContact O-N 2.95Å; T297-V345 HydrophobicContact CG2-CB 4.21Å; T297-V345 HydrophobicContact CG2-CG2 4.02Å |
| 298 | W | 85.3 | Confident | 74.4 | Confident | 34 Ų | 34 | 46.1 Ų | 46.1 | 13% | 0.129 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 152.7 | 164 | -64 | 98.4 | 0 | 0 | 0 | 110.1 | H250 T255 L257 L304 T318 | H250-W298 HydrophobicContact CB-CD2 4.22Å; H250-W298 HydrophobicContact CB-CH2 4.03Å; H250-W298 HydrophobicContact CB-CZ2 3.63Å; H250-W298 HydrophobicContact CB-CZ3 4.47Å; H250-W298 AromaticContact CD2-CD1 3.96Å; H250-W298 AromaticContact CD2-CD2 3.68Å; H250-W298 AromaticContact CD2-CE2 3.98Å; H250-W298 AromaticContact CD2-CG 3.73Å; T255-W298 WeakPolarHBondContact OG1-CH2 3.3Å; L257-W298 HydrophobicContact CD1-CH2 3.93Å; L257-W298 HydrophobicContact CD1-CZ2 3.83Å; L257-W298 HydrophobicContact CG-CZ2 4.27Å; W298-L304 HydrophobicContact CD2-CD1 3.77Å; W298-L304 HydrophobicContact CE3-CB 4.31Å; W298-L304 HydrophobicContact CE3-CD1 3.96Å; W298-L304 HydrophobicContact CG-CD1 4.34Å; W298-L304 HydrophobicContact CH2-CD1 4.09Å; W298-L304 HydrophobicContact CZ2-CD1 3.89Å; W298-L304 HydrophobicContact CZ3-CB 4.19Å; W298-L304 HydrophobicContact CZ3-CD1 4.12Å; W298-T318 HydrophobicContact CH2-CG2 3.72Å; W298-T318 HydrophobicContact CZ3-CG2 3.65Å |
| 299 | A | 79.9 | Confident | 74.9 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | trans | -143.8 | 91.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | T303 V305 Y347 W417 | A299-T303 PolarHBondContact N-O 3.28Å; A299-T303 WeakPolarHBondContact O-CB 3.48Å; A299-V305 HydrophobicContact CB-CG2 3.34Å; A299-Y347 HydrophobicContact CB-CD1 3.95Å; A299-Y347 HydrophobicContact CB-CD2 3.66Å; A299-Y347 HydrophobicContact CB-CE1 4.14Å; A299-Y347 HydrophobicContact CB-CE2 3.87Å; A299-Y347 HydrophobicContact CB-CG 3.68Å; A299-W417 HydrophobicContact CB-CH2 3.98Å; A299-W417 HydrophobicContact CB-CZ2 4.07Å | ||
| 300 | G | 74.2 | Confident | 75.9 | Confident | 33 Ų | 33 | 43.2 Ų | 43.2 | 34% | 0.34 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 82.9 | -179.7 | -163.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 301 | E | 70.8 | Confident | 77.1 | Confident | 138 Ų | 138 | 36 Ų | 36 | 65% | 0.645 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -77.8 | -24.3 | -164.5 | -57.3 | -163.7 | 113.2 | 0 | 0 | 115.2 | H250 | H250-E301 PolarHBondContact CE1-O 3.29Å; H250-E301 PolarHBondContact ND1-O 3.05Å |
| 302 | T | 76.3 | Confident | 78.4 | Confident | 29 Ų | 29 | 35.4 Ų | 35.4 | 18% | 0.178 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -114.5 | -26.7 | -177.5 | 68.2 | 0 | 0 | 0 | 0 | 113.3 | D317 T318 E319 | T302-D317 WeakPolarHBondContact CB-OD1 3.48Å; T302-D317 PolarHBondContact OG1-OD1 3.04Å; T302-D317 PolarHBondContact OG1-OD2 3.03Å; T302-T318 WeakPolarHBondContact O-CB 3.31Å; T302-T318 WeakPolarHBondContact O-CG2 3.31Å; T302-T318 PolarHBondContact O-N 3.27Å; T302-T318 PolarHBondContact O-OG1 3.19Å; T302-E319 HydrophobicContact CG2-CB 3.81Å |
| 303 | T | 82.6 | Confident | 79.8 | Confident | 13 Ų | 13 | 28.7 Ų | 28.7 | 8% | 0.08 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.9 | -167.3 | -63.9 | 0 | 0 | 0 | 0 | 112.3 | A299 L315 | A299-T303 PolarHBondContact N-O 3.28Å; A299-T303 WeakPolarHBondContact O-CB 3.48Å; T303-L315 HydrophobicContact CG2-CB 4.18Å; T303-L315 HydrophobicContact CG2-CD2 3.9Å; T303-L315 HydrophobicContact CG2-CG 4.43Å |
| 304 | L | 86.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 132.2 | 174.2 | -168.7 | 81.2 | 0 | 0 | 0 | 110.8 | L257 L265 V296 W298 M306 L315 W316 T318 | L257-L304 HydrophobicContact CD1-CD1 3.68Å; L257-L304 HydrophobicContact CD1-CD2 3.39Å; L257-L304 HydrophobicContact CD1-CG 4.09Å; L265-L304 HydrophobicContact CD1-CD2 4.26Å; V296-L304 HydrophobicContact CG1-CD1 3.66Å; V296-L304 HydrophobicContact CG1-CD2 3.81Å; V296-L304 HydrophobicContact CG1-CG 3.69Å; W298-L304 HydrophobicContact CD2-CD1 3.77Å; W298-L304 HydrophobicContact CE3-CB 4.31Å; W298-L304 HydrophobicContact CE3-CD1 3.96Å; W298-L304 HydrophobicContact CG-CD1 4.34Å; W298-L304 HydrophobicContact CH2-CD1 4.09Å; W298-L304 HydrophobicContact CZ2-CD1 3.89Å; W298-L304 HydrophobicContact CZ3-CB 4.19Å; W298-L304 HydrophobicContact CZ3-CD1 4.12Å; L304-M306 HydrophobicContact CD2-CE 4.34Å; L304-M306 HydrophobicContact CD2-CG 3.9Å; L304-M306 HydrophobicContact CD2-SD 3.96Å; L304-M306 HydrophobicContact CG-CG 4.33Å; L304-L315 CarbonylContact O-C 3.56Å; L304-L315 VanDerWaalsContact O-CA 3.31Å; L304-L315 WeakPolarHBondContact O-CA 3.38Å; L304-W316 HydrophobicContact CB-CE3 4.37Å; L304-W316 HydrophobicContact CD2-CE3 3.83Å; L304-W316 HydrophobicContact CD2-CZ3 4.29Å; L304-W316 PolarHBondContact N-O 3.19Å; L304-W316 PolarHBondContact O-N 3.15Å; L304-T318 HydrophobicContact CB-CG2 4.17Å |
| 305 | V | 86.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 128.1 | 177.5 | -165.3 | 0 | 0 | 0 | 0 | 110 | V296 T297 A299 V313 R314 L315 V345 L354 | V296-V305 CarbonylContact C-O 3.57Å; V296-V305 VanDerWaalsContact CA-O 3.25Å; V296-V305 WeakPolarHBondContact CA-O 3.43Å; V296-V305 WeakPolarHBondContact CG1-O 3.38Å; T297-V305 HydrophobicContact CG2-CB 3.86Å; T297-V305 HydrophobicContact CG2-CG2 4.14Å; T297-V305 PolarHBondContact N-O 3.43Å; T297-V305 WeakPolarHBondContact O-CB 3.37Å; T297-V305 PolarHBondContact O-N 2.95Å; A299-V305 HydrophobicContact CB-CG2 3.34Å; V305-V313 HydrophobicContact CG1-CG1 3.27Å; V305-R314 CarbonylContact C-O 3.44Å; V305-R314 WeakPolarHBondContact CA-O 3.47Å; V305-L315 HydrophobicContact CB-CD2 4.17Å; V305-L315 HydrophobicContact CG1-CD2 3.99Å; V305-L315 HydrophobicContact CG2-CD2 3.68Å; V305-V345 HydrophobicContact CB-CG2 4.43Å; V305-V345 HydrophobicContact CG1-CB 3.98Å; V305-V345 HydrophobicContact CG1-CG1 3.85Å; V305-V345 HydrophobicContact CG1-CG2 4.09Å; V305-L354 HydrophobicContact CB-CD1 4.5Å; V305-L354 HydrophobicContact CG1-CD1 3.89Å; V305-L354 HydrophobicContact CG1-CD2 3.71Å; V305-L354 HydrophobicContact CG1-CG 4.47Å; V305-L354 HydrophobicContact CG2-CD1 4.27Å; V305-L354 HydrophobicContact CG2-CD2 4.49Å |
| 306 | M | 86.5 | Confident | 81.4 | Confident | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.015 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 126.9 | -176.3 | -64.5 | 176.6 | -80.9 | 0 | 0 | 112.8 | L265 L286 V296 L304 L308 R314 W316 | L265-M306 HydrophobicContact CD1-SD 3.79Å; L286-M306 HydrophobicContact CD2-SD 3.98Å; V296-M306 HydrophobicContact CG1-CG 3.85Å; V296-M306 HydrophobicContact CG2-CB 4.41Å; V296-M306 HydrophobicContact CG2-CG 3.99Å; L304-M306 HydrophobicContact CD2-CE 4.34Å; L304-M306 HydrophobicContact CD2-CG 3.9Å; L304-M306 HydrophobicContact CD2-SD 3.96Å; L304-M306 HydrophobicContact CG-CG 4.33Å; M306-L308 HydrophobicContact CB-CD2 3.96Å; M306-L308 HydrophobicContact CB-CG 4.07Å; M306-L308 HydrophobicContact SD-CD2 4.42Å; M306-R314 HydrophobicContact CB-CB 4.29Å; M306-R314 HydrophobicContact CE-CB 4.28Å; M306-R314 PolarHBondContact N-O 3.24Å; M306-R314 PolarHBondContact O-N 2.73Å; M306-W316 HydrophobicContact CE-CB 3.68Å |
| 307 | A | 85.5 | Confident | 81.2 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 99.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | P294 S295 V342 V345 | P294-A307 WeakPolarHBondContact CA-O 3.48Å; S295-A307 PolarHBondContact N-O 2.9Å; S295-A307 PolarHBondContact O-N 2.9Å; A307-V342 HydrophobicContact CB-CB 3.88Å; A307-V342 HydrophobicContact CB-CG1 3.45Å; A307-V342 VanDerWaalsContact CB-CG1 3.45Å; A307-V345 HydrophobicContact CB-CG1 4.17Å; A307-V345 HydrophobicContact CB-CG2 4.16Å |
| 308 | L | 79.1 | Confident | 80.8 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | trans | -94.7 | 9.7 | -172.4 | -57.6 | 179.3 | 0 | 0 | 0 | 114 | L286 T289 P294 M306 E310 R314 | L286-L308 HydrophobicContact CB-CD1 4.24Å; L286-L308 HydrophobicContact CD1-CD2 3.87Å; L286-L308 HydrophobicContact CD2-CD1 3.93Å; L286-L308 HydrophobicContact CD2-CD2 4.38Å; L286-L308 HydrophobicContact CG-CD2 4.5Å; T289-L308 PolarHBondContact N-O 2.65Å; T289-L308 PolarHBondContact OG1-O 2.93Å; P294-L308 HydrophobicContact CB-CD2 3.97Å; M306-L308 HydrophobicContact CB-CD2 3.96Å; M306-L308 HydrophobicContact CB-CG 4.07Å; M306-L308 HydrophobicContact SD-CD2 4.42Å; L308-E310 VanDerWaalsContact C-N 3.31Å; L308-E310 HydrophobicContact CB-CG 4.19Å; L308-E310 WeakPolarHBondContact CD1-OE1 3.19Å; L308-R314 HydrophobicContact CD1-CG 4.41Å | ||
| 309 | G | 73.6 | Confident | 80.3 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 4% | 0.041 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 80.7 | 9.7 | -163.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T289 K341 | T289-G309 PolarHBondContact OG1-O 2.92Å; G309-K341 WeakPolarHBondContact O-CB 3.48Å; G309-K341 WeakPolarHBondContact O-CD 3.47Å; G309-K341 WeakPolarHBondContact O-CG 3.34Å |
| 310 | E | 76.6 | Confident | 79.9 | Confident | 34 Ų | 34 | 32.3 Ų | 32.3 | 16% | 0.159 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -84.9 | 167.9 | 176.1 | -66.6 | 175.6 | -147.6 | 0 | 0 | 111.3 | L308 N312 R314 K341 V342 | L308-E310 VanDerWaalsContact C-N 3.31Å; L308-E310 HydrophobicContact CB-CG 4.19Å; L308-E310 WeakPolarHBondContact CD1-OE1 3.19Å; E310-N312 VanDerWaalsContact C-N 3.35Å; E310-R314 IonicContact OE1-CZ 2.69Å; E310-R314 IonicContact OE1-NE 3.15Å; E310-R314 PolarHBondContact OE1-NE 3.3Å; E310-R314 IonicContact OE1-NH2 3.35Å; E310-R314 PolarHBondContact OE1-NH2 3.04Å; E310-R314 IonicContact OE2-CZ 2.81Å; E310-R314 IonicContact OE2-NE 2.71Å; E310-R314 PolarHBondContact OE2-NE 3.21Å; E310-R314 IonicContact OE2-NH2 3.23Å; E310-R314 PolarHBondContact OE2-NH2 2.77Å; E310-K341 WeakPolarHBondContact O-CA 3.45Å; E310-V342 PolarHBondContact O-N 2.86Å |
| 311 | T | 75.2 | Confident | 80 | Confident | 29 Ų | 29 | 33 Ų | 33 | 18% | 0.178 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -73.1 | -29 | 177.2 | 56.4 | 0 | 0 | 0 | 0 | 113 | P328 L340 S1185 | T311-P328 WeakPolarHBondContact O-CD 3.12Å; T311-P328 WeakPolarHBondContact O-CG 3.46Å; T311-L340 HydrophobicContact CG2-CB 4.37Å; T311-L340 WeakPolarHBondContact CG2-O 3.48Å; T311-S1185 WeakPolarHBondContact CB-OG 3.48Å; T311-S1185 WeakPolarHBondContact CG2-OG 3.24Å; T311-S1185 PolarHBondContact OG1-OG 2.84Å |
| 312 | N | 80.2 | Confident | 80.3 | Confident | 32 Ų | 32 | 29.3 Ų | 29.3 | 17% | 0.171 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -102 | 148.7 | -178.6 | -57 | 6 | 0 | 0 | 0 | 109.3 | E310 A327 | E310-N312 VanDerWaalsContact C-N 3.35Å; N312-A327 HydrophobicContact CB-CB 4.32Å; N312-A327 WeakPolarHBondContact ND2-CB 3.29Å |
| 313 | V | 84.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 126.4 | 166.6 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | V305 T325 L326 V342 V345 L354 A356 W366 | V305-V313 HydrophobicContact CG1-CG1 3.27Å; V313-T325 CarbonylContact O-C 3.42Å; V313-T325 WeakPolarHBondContact O-CA 3.31Å; V313-L326 HydrophobicContact CB-CB 4.2Å; V313-L326 PolarHBondContact N-O 3.36Å; V313-L326 PolarHBondContact O-N 3.03Å; V313-V342 HydrophobicContact CG2-CG1 4.16Å; V313-V342 HydrophobicContact CG2-CG2 3.91Å; V313-V345 HydrophobicContact CG1-CG1 3.76Å; V313-V345 HydrophobicContact CG2-CG1 4.1Å; V313-L354 HydrophobicContact CG1-CD2 4.22Å; V313-A356 HydrophobicContact CG2-CB 3.48Å; V313-A356 VanDerWaalsContact CG2-CB 3.48Å; V313-W366 HydrophobicContact CG2-CH2 4.08Å; V313-W366 HydrophobicContact CG2-CZ3 4.45Å |
| 314 | R | 84.5 | Confident | 80.2 | Confident | 61 Ų | 61 | 32.8 Ų | 32.8 | 23% | 0.23 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 140 | 171.2 | -62.4 | -160.2 | -174.8 | -171.9 | 3.3 | 110.3 | V305 M306 L308 E310 T325 | V305-R314 CarbonylContact C-O 3.44Å; V305-R314 WeakPolarHBondContact CA-O 3.47Å; M306-R314 HydrophobicContact CB-CB 4.29Å; M306-R314 HydrophobicContact CE-CB 4.28Å; M306-R314 PolarHBondContact N-O 3.24Å; M306-R314 PolarHBondContact O-N 2.73Å; L308-R314 HydrophobicContact CD1-CG 4.41Å; E310-R314 IonicContact OE1-CZ 2.69Å; E310-R314 IonicContact OE1-NE 3.15Å; E310-R314 PolarHBondContact OE1-NE 3.3Å; E310-R314 IonicContact OE1-NH2 3.35Å; E310-R314 PolarHBondContact OE1-NH2 3.04Å; E310-R314 IonicContact OE2-CZ 2.81Å; E310-R314 IonicContact OE2-NE 2.71Å; E310-R314 PolarHBondContact OE2-NE 3.21Å; E310-R314 IonicContact OE2-NH2 3.23Å; E310-R314 PolarHBondContact OE2-NH2 2.77Å; R314-T325 HydrophobicContact CG-CG2 4.29Å |
| 315 | L | 86.4 | Confident | 80 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.8 | 165.7 | -68.7 | -176.7 | 0 | 0 | 0 | 107.5 | T303 L304 V305 Y324 L326 | T303-L315 HydrophobicContact CG2-CB 4.18Å; T303-L315 HydrophobicContact CG2-CD2 3.9Å; T303-L315 HydrophobicContact CG2-CG 4.43Å; L304-L315 CarbonylContact O-C 3.56Å; L304-L315 VanDerWaalsContact O-CA 3.31Å; L304-L315 WeakPolarHBondContact O-CA 3.38Å; V305-L315 HydrophobicContact CB-CD2 4.17Å; V305-L315 HydrophobicContact CG1-CD2 3.99Å; V305-L315 HydrophobicContact CG2-CD2 3.68Å; L315-Y324 PolarHBondContact N-O 3.11Å; L315-Y324 PolarHBondContact O-N 2.9Å; L315-L326 HydrophobicContact CD1-CD1 3.8Å; L315-L326 HydrophobicContact CD1-CD2 4.14Å; L315-L326 HydrophobicContact CD1-CG 3.64Å; L315-L326 HydrophobicContact CD2-CD1 4.19Å; L315-L326 HydrophobicContact CG-CD1 4.12Å; L315-L326 HydrophobicContact CG-CG 3.99Å |
| 316 | W | 84.7 | Confident | 79.7 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 115.5 | 174.2 | 173.2 | 46.6 | 0 | 0 | 0 | 109.1 | L257 L265 H267 M284 L304 M306 T318 A321 D322 | L257-W316 HydrophobicContact CD1-CZ3 3.92Å; L257-W316 HydrophobicContact CD2-CH2 4.08Å; L257-W316 HydrophobicContact CD2-CZ3 3.81Å; L265-W316 HydrophobicContact CD1-CE3 4.45Å; L265-W316 HydrophobicContact CD1-CZ3 4.42Å; L265-W316 HydrophobicContact CD2-CE3 4.33Å; L265-W316 HydrophobicContact CD2-CH2 4.19Å; L265-W316 HydrophobicContact CD2-CZ3 3.69Å; H267-W316 HydrophobicContact CB-CH2 3.88Å; H267-W316 AromaticContact CG-CH2 3.76Å; H267-W316 AromaticContact ND1-CH2 3.57Å; H267-W316 AromaticContact ND1-CZ2 3.93Å; M284-W316 HydrophobicContact CE-CD2 4.36Å; M284-W316 VanDerWaalsContact CE-CE2 3.48Å; M284-W316 HydrophobicContact CE-CH2 4.34Å; M284-W316 HydrophobicContact CE-CZ2 3.5Å; L304-W316 HydrophobicContact CB-CE3 4.37Å; L304-W316 HydrophobicContact CD2-CE3 3.83Å; L304-W316 HydrophobicContact CD2-CZ3 4.29Å; L304-W316 PolarHBondContact N-O 3.19Å; L304-W316 PolarHBondContact O-N 3.15Å; M306-W316 HydrophobicContact CE-CB 3.68Å; W316-T318 HydrophobicContact CD2-CG2 3.98Å; W316-T318 HydrophobicContact CE3-CG2 3.65Å; W316-T318 HydrophobicContact CH2-CG2 3.67Å; W316-T318 HydrophobicContact CZ2-CG2 4.03Å; W316-T318 HydrophobicContact CZ3-CG2 3.5Å; W316-T318 VanDerWaalsContact CZ3-CG2 3.5Å; W316-T318 PolarHBondContact O-N 2.98Å; W316-A321 PolarHBondContact NE1-O 3.22Å; W316-D322 CarbonylContact C-O 3.41Å; W316-D322 WeakPolarHBondContact CA-O 3.3Å; W316-D322 VanDerWaalsContact CD1-O 3.25Å |
| 317 | D | 80.8 | Confident | 79.2 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.032 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 115.2 | 172.4 | -170.8 | -42.5 | 0 | 0 | 0 | 108.4 | T302 E319 R320 A321 D322 Y324 | T302-D317 WeakPolarHBondContact CB-OD1 3.48Å; T302-D317 PolarHBondContact OG1-OD1 3.04Å; T302-D317 PolarHBondContact OG1-OD2 3.03Å; D317-E319 VanDerWaalsContact C-N 3.34Å; D317-E319 PolarHBondContact OD1-N 3.01Å; D317-R320 HydrophobicContact CB-CB 4.18Å; D317-R320 PolarHBondContact OD1-N 3.19Å; D317-R320 IonicContact OD2-NE 3.61Å; D317-A321 CarbonylContact O-C 3.52Å; D317-A321 WeakPolarHBondContact O-CA 3.3Å; D317-A321 PolarHBondContact O-N 3.4Å; D317-D322 HydrophobicContact CB-CB 4.36Å; D317-D322 PolarHBondContact N-O 2.62Å; D317-D322 PolarHBondContact O-N 2.95Å; D317-Y324 HydrophobicContact CB-CE2 4.28Å |
| 318 | T | 77.3 | Confident | 78.3 | Confident | 13 Ų | 13 | 37 Ų | 37 | 8% | 0.08 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -14 | -175.2 | 63.2 | 0 | 0 | 0 | 0 | 114.1 | W298 T302 L304 W316 | W298-T318 HydrophobicContact CH2-CG2 3.72Å; W298-T318 HydrophobicContact CZ3-CG2 3.65Å; T302-T318 WeakPolarHBondContact O-CB 3.31Å; T302-T318 WeakPolarHBondContact O-CG2 3.31Å; T302-T318 PolarHBondContact O-N 3.27Å; T302-T318 PolarHBondContact O-OG1 3.19Å; L304-T318 HydrophobicContact CB-CG2 4.17Å; W316-T318 HydrophobicContact CD2-CG2 3.98Å; W316-T318 HydrophobicContact CE3-CG2 3.65Å; W316-T318 HydrophobicContact CH2-CG2 3.67Å; W316-T318 HydrophobicContact CZ2-CG2 4.03Å; W316-T318 HydrophobicContact CZ3-CG2 3.5Å; W316-T318 VanDerWaalsContact CZ3-CG2 3.5Å; W316-T318 PolarHBondContact O-N 2.98Å |
| 319 | E | 74 | Confident | 77.3 | Confident | 154 Ų | 154 | 39.7 Ų | 39.7 | 72% | 0.72 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -48.3 | 175.3 | -177.4 | 173.4 | -126.7 | 0 | 0 | 110.5 | T302 D317 A321 | T302-E319 HydrophobicContact CG2-CB 3.81Å; D317-E319 VanDerWaalsContact C-N 3.34Å; D317-E319 PolarHBondContact OD1-N 3.01Å; E319-A321 VanDerWaalsContact C-N 3.33Å |
| 320 | R | 71.5 | Confident | 76.4 | Confident | 123 Ų | 123 | 39.5 Ų | 39.5 | 46% | 0.464 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -16.9 | 177.3 | -56.8 | 179.5 | 179 | -125.6 | -6.5 | 113.9 | D317 D322 E410 | D317-R320 HydrophobicContact CB-CB 4.18Å; D317-R320 PolarHBondContact OD1-N 3.19Å; D317-R320 IonicContact OD2-NE 3.61Å; R320-D322 HydrophobicContact CB-CB 4.24Å; R320-D322 WeakPolarHBondContact CB-OD2 3.22Å; R320-D322 WeakPolarHBondContact CD-OD2 3.41Å; R320-D322 PolarHBondContact O-N 2.75Å; R320-E410 IonicContact NH1-OE1 3.64Å; R320-E410 PolarHBondContact NH1-OE1 3.44Å |
| 321 | A | 75.4 | Confident | 75.1 | Confident | 47 Ų | 47 | 38.1 Ų | 38.1 | 39% | 0.388 | 20% | 0.197 | S | C | . | . | trans | 64.9 | 4.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | W316 D317 E319 N323 | W316-A321 PolarHBondContact NE1-O 3.22Å; D317-A321 CarbonylContact O-C 3.52Å; D317-A321 WeakPolarHBondContact O-CA 3.3Å; D317-A321 PolarHBondContact O-N 3.4Å; E319-A321 VanDerWaalsContact C-N 3.33Å; A321-N323 PolarHBondContact O-ND2 3.22Å | ||
| 322 | D | 77.6 | Confident | 73.8 | Confident | 62 Ų | 62 | 36.7 Ų | 36.7 | 33% | 0.332 | 19% | 0.188 | S | C | . | . | trans | -68.8 | 138.7 | -177.2 | -71.4 | -42.3 | 0 | 0 | 0 | 113.8 | W316 D317 R320 Y324 | W316-D322 CarbonylContact C-O 3.41Å; W316-D322 WeakPolarHBondContact CA-O 3.3Å; W316-D322 VanDerWaalsContact CD1-O 3.25Å; D317-D322 HydrophobicContact CB-CB 4.36Å; D317-D322 PolarHBondContact N-O 2.62Å; D317-D322 PolarHBondContact O-N 2.95Å; R320-D322 HydrophobicContact CB-CB 4.24Å; R320-D322 WeakPolarHBondContact CB-OD2 3.22Å; R320-D322 WeakPolarHBondContact CD-OD2 3.41Å; R320-D322 PolarHBondContact O-N 2.75Å; D322-Y324 HydrophobicContact CB-CD2 4.23Å; D322-Y324 HydrophobicContact CB-CE1 4.22Å; D322-Y324 HydrophobicContact CB-CE2 3.38Å; D322-Y324 VanDerWaalsContact CB-OH 3.25Å; D322-Y324 WeakPolarHBondContact CB-OH 3.39Å; D322-Y324 VanDerWaalsContact CG-OH 3.27Å; D322-Y324 PolarHBondContact OD2-OH 2.67Å | ||
| 323 | N | 76.1 | Confident | 72.1 | Confident | 89 Ų | 89 | 35.6 Ų | 35.6 | 48% | 0.476 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 130.7 | 177.3 | -76.2 | -107.7 | 0 | 0 | 0 | 110.9 | A321 | A321-N323 PolarHBondContact O-ND2 3.22Å |
| 324 | Y | 80.2 | Confident | 70.2 | Confident | 25 Ų | 25 | 36.6 Ų | 36.6 | 10% | 0.098 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 162.2 | -173.1 | -62.8 | -58 | 0 | 0 | 0 | 109.9 | L315 D317 D322 T412 P413 E414 | L315-Y324 PolarHBondContact N-O 3.11Å; L315-Y324 PolarHBondContact O-N 2.9Å; D317-Y324 HydrophobicContact CB-CE2 4.28Å; D322-Y324 HydrophobicContact CB-CD2 4.23Å; D322-Y324 HydrophobicContact CB-CE1 4.22Å; D322-Y324 HydrophobicContact CB-CE2 3.38Å; D322-Y324 VanDerWaalsContact CB-OH 3.25Å; D322-Y324 WeakPolarHBondContact CB-OH 3.39Å; D322-Y324 VanDerWaalsContact CG-OH 3.27Å; D322-Y324 PolarHBondContact OD2-OH 2.67Å; Y324-T412 HydrophobicContact CE1-CG2 4.48Å; Y324-P413 HydrophobicContact CD2-CB 4.2Å; Y324-P413 HydrophobicContact CD2-CG 4.34Å; Y324-P413 HydrophobicContact CE2-CB 3.96Å; Y324-P413 HydrophobicContact CE2-CG 3.62Å; Y324-P413 WeakPolarHBondContact OH-CD 3.05Å; Y324-E414 VanDerWaalsContact CA-OE1 3.25Å; Y324-E414 WeakPolarHBondContact CA-OE1 3.39Å; Y324-E414 WeakPolarHBondContact CB-OE1 3.46Å; Y324-E414 HydrophobicContact CD1-CG 3.74Å; Y324-E414 HydrophobicContact CG-CG 3.9Å |
| 325 | T | 83.1 | Confident | 68.3 | Low | 59 Ų | 59 | 36 Ų | 36 | 36% | 0.362 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 125.1 | 175.3 | 68.5 | 0 | 0 | 0 | 0 | 114 | V313 R314 A327 E414 | V313-T325 CarbonylContact O-C 3.42Å; V313-T325 WeakPolarHBondContact O-CA 3.31Å; R314-T325 HydrophobicContact CG-CG2 4.29Å; T325-A327 PolarHBondContact O-N 2.88Å; T325-E414 PolarHBondContact N-OE1 2.93Å |
| 326 | L | 80.7 | Confident | 66.6 | Low | 11 Ų | 11 | 36.7 Ų | 36.7 | 6% | 0.058 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 94.3 | 165.7 | -63.7 | 177.1 | 0 | 0 | 0 | 108.5 | V313 L315 L354 W366 W417 | V313-L326 HydrophobicContact CB-CB 4.2Å; V313-L326 PolarHBondContact N-O 3.36Å; V313-L326 PolarHBondContact O-N 3.03Å; L315-L326 HydrophobicContact CD1-CD1 3.8Å; L315-L326 HydrophobicContact CD1-CD2 4.14Å; L315-L326 HydrophobicContact CD1-CG 3.64Å; L315-L326 HydrophobicContact CD2-CD1 4.19Å; L315-L326 HydrophobicContact CG-CD1 4.12Å; L315-L326 HydrophobicContact CG-CG 3.99Å; L326-L354 HydrophobicContact CD1-CD2 3.59Å; L326-W366 HydrophobicContact CB-CD2 4.36Å; L326-W366 HydrophobicContact CB-CZ2 4.24Å; L326-W366 HydrophobicContact CD1-CB 4.25Å; L326-W366 HydrophobicContact CD1-CD2 4.27Å; L326-W366 HydrophobicContact CD1-CG 4.02Å; L326-W417 HydrophobicContact CD1-CB 4.37Å; L326-W417 HydrophobicContact CD1-CD2 3.9Å; L326-W417 HydrophobicContact CD1-CE3 4.12Å; L326-W417 HydrophobicContact CD1-CG 4.03Å; L326-W417 HydrophobicContact CD2-CB 3.54Å; L326-W417 HydrophobicContact CD2-CG 3.84Å |
| 327 | A | 76.4 | Confident | 64.8 | Low | 24 Ų | 24 | 36.7 Ų | 36.7 | 20% | 0.198 | 20% | 0.2 | C | C | . | . | trans | -83.7 | 127.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | N312 T325 K1186 | N312-A327 HydrophobicContact CB-CB 4.32Å; N312-A327 WeakPolarHBondContact ND2-CB 3.29Å; T325-A327 PolarHBondContact O-N 2.88Å; A327-K1186 HydrophobicContact CB-CD 4.32Å; A327-K1186 HydrophobicContact CB-CG 4.15Å; A327-K1186 WeakPolarHBondContact O-CE 3.4Å; A327-K1186 PolarHBondContact O-NZ 2.58Å | ||
| 328 | P | 66.7 | Low | 63.4 | Low | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -64.1 | 134.9 | -169.1 | 28 | -38.1 | 0 | 0 | 0 | 113.1 | T311 M330 F358 E364 W366 E1182 K1186 | T311-P328 WeakPolarHBondContact O-CD 3.12Å; T311-P328 WeakPolarHBondContact O-CG 3.46Å; P328-M330 HydrophobicContact CB-CB 4.48Å; P328-M330 HydrophobicContact CB-CG 4.44Å; P328-M330 HydrophobicContact CB-SD 4.37Å; P328-M330 PolarHBondContact O-N 2.81Å; P328-M330 VanDerWaalsContact O-N 3.13Å; P328-F358 HydrophobicContact CB-CE1 4.18Å; P328-F358 HydrophobicContact CB-CZ 3.87Å; P328-F358 HydrophobicContact CG-CE1 4.18Å; P328-F358 HydrophobicContact CG-CZ 4.37Å; P328-E364 WeakPolarHBondContact CA-OE1 3.49Å; P328-E364 VanDerWaalsContact CA-OE2 3.3Å; P328-E364 WeakPolarHBondContact CA-OE2 3.39Å; P328-E364 WeakPolarHBondContact CB-OE2 3.47Å; P328-W366 HydrophobicContact CB-CZ2 4.46Å; P328-E1182 VanDerWaalsContact CB-CD 3.47Å; P328-E1182 HydrophobicContact CB-CG 4.42Å; P328-E1182 WeakPolarHBondContact CB-OE2 3.25Å; P328-E1182 HydrophobicContact CG-CB 3.85Å; P328-E1182 HydrophobicContact CG-CG 3.71Å; P328-E1182 WeakPolarHBondContact CG-OE1 3.28Å; P328-K1186 WeakPolarHBondContact O-CD 3.42Å; P328-K1186 WeakPolarHBondContact O-CE 3.14Å; P328-K1186 PolarHBondContact O-NZ 3.05Å | ||
| 329 | N | 58.5 | Low | 62.9 | Low | 57 Ų | 57 | 46.1 Ų | 46.1 | 31% | 0.305 | 25% | 0.25 | S | C | . | . | trans | -87.5 | 58.7 | -153.2 | -164.1 | 53.5 | 0 | 0 | 0 | 116.3 | E364 P419 M1179 | N329-E364 WeakPolarHBondContact CB-OE1 3.4Å; N329-E364 PolarHBondContact N-OE1 3.46Å; N329-P419 HydrophobicContact CB-CB 3.76Å; N329-P419 HydrophobicContact CB-CG 4.15Å; N329-M1179 WeakPolarHBondContact O-CE 3.36Å | ||
| 330 | M | 54.5 | Low | 62.7 | Low | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.216 | C | C | . | . | -154 | 138.2 | -128.8 | -89.8 | -147.2 | 179.9 | 0 | 0 | 123.1 | P328 E364 T423 K1178 M1179 L1180 E1182 F1183 E1196 | P328-M330 HydrophobicContact CB-CB 4.48Å; P328-M330 HydrophobicContact CB-CG 4.44Å; P328-M330 HydrophobicContact CB-SD 4.37Å; P328-M330 PolarHBondContact O-N 2.81Å; P328-M330 VanDerWaalsContact O-N 3.13Å; M330-E364 HydrophobicContact CE-CB 3.69Å; M330-E364 VanDerWaalsContact CE-CD 3.43Å; M330-E364 HydrophobicContact CE-CG 3.63Å; M330-E364 WeakPolarHBondContact CE-OE2 3.34Å; M330-E364 VanDerWaalsContact SD-OE2 3.39Å; M330-T423 HydrophobicContact CE-CG2 3.16Å; M330-K1178 HydrophobicContact SD-CD 4.27Å; M330-K1178 PolarHBondContact SD-NZ 2.95Å; M330-M1179 VanDerWaalsContact C-CA 3.46Å; M330-M1179 VanDerWaalsContact CB-CA 3.41Å; M330-M1179 HydrophobicContact CB-CB 3.28Å; M330-M1179 HydrophobicContact CB-CE 4.34Å; M330-M1179 HydrophobicContact CB-CG 4.09Å; M330-M1179 HydrophobicContact CE-CG 3.91Å; M330-M1179 HydrophobicContact CG-CB 3.36Å; M330-M1179 HydrophobicContact CG-CE 3.95Å; M330-M1179 HydrophobicContact CG-CG 3.55Å; M330-M1179 HydrophobicContact CG-SD 4.29Å; M330-M1179 CarbonylContact O-C 3.58Å; M330-M1179 HydrophobicContact SD-CB 3.56Å; M330-M1179 VanDerWaalsContact SD-CB 3.56Å; M330-M1179 HydrophobicContact SD-CG 3.48Å; M330-M1179 WeakPolarHBondContact SD-CG 3.4Å; M330-L1180 WeakPolarHBondContact O-CA 3.49Å; M330-L1180 PolarHBondContact O-N 2.91Å; M330-E1182 WeakPolarHBondContact CB-OE2 3.2Å; M330-F1183 VanDerWaalsContact O-CB 3.23Å; M330-F1183 WeakPolarHBondContact O-CB 3.49Å; M330-F1183 WeakPolarHBondContact O-CD2 3.45Å; M330-F1183 PolarHBondContact O-N 3.32Å; M330-E1196 WeakPolarHBondContact CA-OE1 3.49Å; M330-E1196 PolarHBondContact N-OE1 2.87Å | |||
| 331 | I | 49 | Very low | 62.8 | Low | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | trans | -96 | 0 | 169.3 | -33.3 | 158.5 | 0 | 0 | 0 | 125.5 | G1176 S1177 M1179 L1180 E1196 L1197 L1199 Q1200 | I331-G1176 CarbonylContact C-O 3.57Å; I331-G1176 CarbonylContact O-C 3.52Å; I331-G1176 VanDerWaalsContact O-C 3.29Å; I331-S1177 CarbonylContact O-C 3.59Å; I331-M1179 HydrophobicContact CB-CB 3.79Å; I331-M1179 HydrophobicContact CB-CE 4.14Å; I331-M1179 HydrophobicContact CD1-CE 3.7Å; I331-M1179 HydrophobicContact CG1-CE 3.79Å; I331-M1179 WeakPolarHBondContact O-CA 3.39Å; I331-M1179 WeakPolarHBondContact O-CB 3.43Å; I331-M1179 PolarHBondContact O-N 3.31Å; I331-L1180 HydrophobicContact CB-CB 4.48Å; I331-L1180 HydrophobicContact CG2-CB 4.4Å; I331-L1180 HydrophobicContact CG2-CD1 4.1Å; I331-E1196 HydrophobicContact CB-CG 3.91Å; I331-E1196 HydrophobicContact CG1-CG 3.5Å; I331-E1196 VanDerWaalsContact CG1-CG 3.5Å; I331-E1196 VanDerWaalsContact CG1-O 3.24Å; I331-E1196 WeakPolarHBondContact CG1-O 3.16Å; I331-E1196 WeakPolarHBondContact CG1-OE1 3.36Å; I331-E1196 HydrophobicContact CG2-CG 4.11Å; I331-E1196 WeakPolarHBondContact CG2-O 3.33Å; I331-E1196 PolarHBondContact N-OE1 3.11Å; I331-L1197 HydrophobicContact CG2-CD1 4.49Å; I331-L1199 HydrophobicContact CD1-CB 3.36Å; I331-L1199 HydrophobicContact CD1-CD1 4.23Å; I331-L1199 HydrophobicContact CD1-CG 4.43Å; I331-Q1200 HydrophobicContact CB-CB 4.11Å; I331-Q1200 HydrophobicContact CB-CG 3.27Å; I331-Q1200 HydrophobicContact CD1-CB 4.17Å; I331-Q1200 HydrophobicContact CD1-CG 3.52Å; I331-Q1200 HydrophobicContact CG1-CG 3.89Å; I331-Q1200 HydrophobicContact CG2-CB 3.45Å; I331-Q1200 VanDerWaalsContact CG2-CB 3.45Å; I331-Q1200 HydrophobicContact CG2-CG 3.18Å | ||
| 332 | I | 48.4 | Very low | 63 | Low | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.185 | C | C | . | . | 0 | 174.2 | 0 | -7.8 | -179.5 | 0 | 0 | 0 | 105.4 | L340 S1177 K1178 M1179 L1180 R1181 E1182 | I332-L340 HydrophobicContact CD1-CD1 3.37Å; I332-L340 HydrophobicContact CD1-CD2 3.28Å; I332-L340 HydrophobicContact CD1-CG 3.9Å; I332-S1177 VanDerWaalsContact CG2-C 3.48Å; I332-K1178 HydrophobicContact CB-CB 4.35Å; I332-K1178 HydrophobicContact CB-CG 4.37Å; I332-K1178 HydrophobicContact CD1-CB 4.04Å; I332-K1178 HydrophobicContact CD1-CD 4.1Å; I332-K1178 HydrophobicContact CD1-CG 3.11Å; I332-K1178 VanDerWaalsContact CG1-C 3.45Å; I332-K1178 HydrophobicContact CG1-CB 4.02Å; I332-K1178 HydrophobicContact CG1-CG 3.49Å; I332-K1178 VanDerWaalsContact CG1-CG 3.49Å; I332-K1178 VanDerWaalsContact CG2-CA 3.41Å; I332-K1178 HydrophobicContact CG2-CB 3.6Å; I332-K1178 HydrophobicContact CG2-CG 3.86Å; I332-M1179 VanDerWaalsContact CG1-CA 3.42Å; I332-M1179 WeakPolarHBondContact CG1-O 3.44Å; I332-L1180 CarbonylContact C-O 3.51Å; I332-L1180 VanDerWaalsContact CA-C 3.46Å; I332-L1180 VanDerWaalsContact N-C 3.25Å; I332-L1180 CarbonylContact O-C 3.29Å; I332-L1180 VanDerWaalsContact O-CB 3.31Å; I332-L1180 WeakPolarHBondContact O-CB 3.23Å; I332-L1180 WeakPolarHBondContact O-CD2 3.2Å; I332-R1181 VanDerWaalsContact CA-N 3.28Å; I332-R1181 HydrophobicContact CB-CB 3.29Å; I332-R1181 HydrophobicContact CD1-CB 3.37Å; I332-R1181 HydrophobicContact CD1-CG 4.2Å; I332-R1181 HydrophobicContact CG1-CB 3.3Å; I332-R1181 HydrophobicContact CG2-CB 3.83Å; I332-E1182 HydrophobicContact CD1-CG 4.43Å | |||
| 333 | P | 43.4 | Very low | 63 | Low | 9 Ų | 9 | 32.1 Ų | 32.1 | 6% | 0.058 | 18% | 0.18 | C | C | . | . | trans | -92.8 | 138.2 | 170 | 40.9 | -27.7 | 0 | 0 | 0 | 109.4 | S335 R1165 L1168 S1177 R1181 | P333-S335 PolarHBondContact O-N 2.87Å; P333-S335 PolarHBondContact O-OG 3.13Å; P333-R1165 HydrophobicContact CB-CB 3.81Å; P333-R1165 HydrophobicContact CB-CG 3.59Å; P333-L1168 HydrophobicContact CB-CD1 3.83Å; P333-S1177 VanDerWaalsContact CB-OG 3.29Å; P333-S1177 WeakPolarHBondContact CB-OG 3.42Å; P333-S1177 WeakPolarHBondContact CD-OG 3.45Å; P333-S1177 WeakPolarHBondContact CG-OG 3.28Å; P333-R1181 WeakPolarHBondContact O-CB 3.27Å; P333-R1181 WeakPolarHBondContact O-CD 3.39Å; P333-R1181 VanDerWaalsContact O-CG 3.25Å; P333-R1181 WeakPolarHBondContact O-CG 3.38Å; P333-R1181 PolarHBondContact O-NE 3.38Å | ||
| 334 | E | 44.2 | Very low | 63.3 | Low | 21 Ų | 21 | 29 Ų | 29 | 10% | 0.098 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -58 | 0.2 | -169.6 | -18.7 | -179.1 | 106.3 | 0 | 0 | 118.9 | G336 K337 L1161 R1165 L1180 K1184 | E334-G336 PolarHBondContact O-N 3.37Å; E334-K337 HydrophobicContact CB-CG 4.24Å; E334-K337 PolarHBondContact O-N 3.42Å; E334-L1161 HydrophobicContact CG-CB 3.76Å; E334-L1161 WeakPolarHBondContact OE1-CB 3.22Å; E334-L1161 WeakPolarHBondContact OE1-CD1 3.44Å; E334-R1165 HydrophobicContact CB-CG 4.28Å; E334-R1165 HydrophobicContact CG-CG 4.17Å; E334-R1165 VanDerWaalsContact N-CG 3.3Å; E334-L1180 HydrophobicContact CG-CD2 3.97Å; E334-K1184 WeakPolarHBondContact OE1-CD 3.16Å; E334-K1184 IonicContact OE1-NZ 3.96Å; E334-K1184 PolarHBondContact OE1-NZ 3.13Å; E334-K1184 IonicContact OE2-NZ 3.17Å; E334-K1184 PolarHBondContact OE2-NZ 3.41Å; E334-K1184 VanDerWaalsContact OE2-NZ 3.08Å |
| 335 | S | 46.3 | Very low | 63.7 | Low | 49 Ų | 49 | 28.1 Ų | 28.1 | 34% | 0.343 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 39.8 | -176.7 | 68 | 0 | 0 | 0 | 0 | 116.2 | P333 R1165 | P333-S335 PolarHBondContact O-N 2.87Å; P333-S335 PolarHBondContact O-OG 3.13Å; S335-R1165 VanDerWaalsContact CA-CZ 3.48Å |
| 336 | G | 49.5 | Very low | 63.8 | Low | 14 Ų | 14 | 26.3 Ų | 26.3 | 14% | 0.144 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 140.8 | 36.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E334 N338 D339 L340 R1181 | E334-G336 PolarHBondContact O-N 3.37Å; G336-N338 PolarHBondContact O-N 2.93Å; G336-D339 VanDerWaalsContact C-N 3.34Å; G336-D339 WeakPolarHBondContact O-CA 3.44Å; G336-D339 VanDerWaalsContact O-CB 3.26Å; G336-D339 WeakPolarHBondContact O-CB 3.13Å; G336-D339 PolarHBondContact O-N 3.33Å; G336-L340 PolarHBondContact O-N 3.41Å; G336-R1181 VanDerWaalsContact O-CD 3.22Å; G336-R1181 WeakPolarHBondContact O-CD 3.38Å; G336-R1181 WeakPolarHBondContact O-CG 3.41Å |
| 337 | K | 47.4 | Very low | 64 | Low | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.009 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -38.7 | 172.4 | -90.8 | -85.7 | 178.4 | 42.2 | 0 | 110.9 | E334 L1180 R1181 F1183 K1184 | E334-K337 HydrophobicContact CB-CG 4.24Å; E334-K337 PolarHBondContact O-N 3.42Å; K337-L1180 WeakPolarHBondContact CE-O 3.3Å; K337-L1180 VanDerWaalsContact NZ-C 3.29Å; K337-L1180 PolarHBondContact NZ-O 2.95Å; K337-R1181 WeakPolarHBondContact CA-O 3.34Å; K337-R1181 HydrophobicContact CB-CG 4.45Å; K337-R1181 VanDerWaalsContact CD-CA 3.42Å; K337-R1181 WeakPolarHBondContact CD-O 3.44Å; K337-R1181 HydrophobicContact CG-CB 4.34Å; K337-R1181 HydrophobicContact CG-CG 4.2Å; K337-F1183 VanDerWaalsContact NZ-C 3.31Å; K337-K1184 HydrophobicContact CD-CB 3.38Å; K337-K1184 HydrophobicContact CD-CG 4.26Å; K337-K1184 HydrophobicContact CG-CB 3.82Å; K337-K1184 HydrophobicContact CG-CD 4.03Å; K337-K1184 HydrophobicContact CG-CG 4.21Å; K337-K1184 VanDerWaalsContact NZ-N 3.17Å |
| 338 | N | 52.3 | Low | 64.2 | Low | 146 Ų | 146 | 26.6 Ų | 26.6 | 78% | 0.781 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -11.3 | -179.4 | -43.1 | 17.9 | 0 | 0 | 0 | 112.1 | G336 | G336-N338 PolarHBondContact O-N 2.93Š|
| 339 | D | 65.2 | Low | 64.5 | Low | 72 Ų | 72 | 33.9 Ų | 33.9 | 39% | 0.385 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -26.2 | 170 | -94.7 | 16.6 | 0 | 0 | 0 | 110.5 | G336 K341 N359 K440 | G336-D339 VanDerWaalsContact C-N 3.34Å; G336-D339 WeakPolarHBondContact O-CA 3.44Å; G336-D339 VanDerWaalsContact O-CB 3.26Å; G336-D339 WeakPolarHBondContact O-CB 3.13Å; G336-D339 PolarHBondContact O-N 3.33Å; D339-K341 WeakPolarHBondContact O-CG 3.44Å; D339-N359 PolarHBondContact O-ND2 2.71Å; D339-N359 PolarHBondContact O-OD1 2.82Å; D339-K440 IonicContact OD2-NZ 2.7Å; D339-K440 PolarHBondContact OD2-NZ 2.89Å |
| 340 | L | 70.7 | Confident | 64.9 | Low | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | trans | -74.9 | 135.9 | -165.2 | -114.7 | 88.8 | 0 | 0 | 0 | 114.8 | T311 I332 G336 F358 N359 N360 R1181 E1182 | T311-L340 HydrophobicContact CG2-CB 4.37Å; T311-L340 WeakPolarHBondContact CG2-O 3.48Å; I332-L340 HydrophobicContact CD1-CD1 3.37Å; I332-L340 HydrophobicContact CD1-CD2 3.28Å; I332-L340 HydrophobicContact CD1-CG 3.9Å; G336-L340 PolarHBondContact O-N 3.41Å; L340-F358 HydrophobicContact CD2-CB 4.44Å; L340-F358 HydrophobicContact CD2-CD1 3.94Å; L340-F358 HydrophobicContact CD2-CG 4.46Å; L340-N359 WeakPolarHBondContact CA-OD1 3.47Å; L340-N360 WeakPolarHBondContact CD1-ND2 3.44Å; L340-N360 WeakPolarHBondContact CD2-ND2 3.35Å; L340-N360 WeakPolarHBondContact CG-ND2 3.33Å; L340-R1181 HydrophobicContact CD1-CB 4.26Å; L340-R1181 HydrophobicContact CD1-CG 3.87Å; L340-E1182 HydrophobicContact CD2-CG 3.61Å; L340-E1182 WeakPolarHBondContact CD2-OE1 3.29Å | ||
| 341 | K | 73.8 | Confident | 65.5 | Low | 44 Ų | 44 | 39.4 Ų | 39.4 | 19% | 0.191 | 21% | 0.213 | C | C | . | . | trans | -145 | 130.9 | -176.3 | -55.7 | -167.4 | 170.1 | 177.7 | 0 | 109.7 | T289 G309 E310 D339 I343 F358 N359 | T289-K341 PolarHBondContact O-NZ 3.02Å; G309-K341 WeakPolarHBondContact O-CB 3.48Å; G309-K341 WeakPolarHBondContact O-CD 3.47Å; G309-K341 WeakPolarHBondContact O-CG 3.34Å; E310-K341 WeakPolarHBondContact O-CA 3.45Å; D339-K341 WeakPolarHBondContact O-CG 3.44Å; K341-I343 PolarHBondContact O-N 3.13Å; K341-F358 WeakPolarHBondContact O-CA 3.34Å; K341-N359 HydrophobicContact CB-CB 4.42Å; K341-N359 PolarHBondContact N-OD1 3.46Å; K341-N359 PolarHBondContact O-N 3.09Å; K341-N359 PolarHBondContact O-OD1 3.25Å | ||
| 342 | V | 79.4 | Confident | 66.9 | Low | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 121.9 | 159.6 | -168.2 | 0 | 0 | 0 | 0 | 107.1 | A307 E310 V313 V345 A356 S357 F358 | A307-V342 HydrophobicContact CB-CB 3.88Å; A307-V342 HydrophobicContact CB-CG1 3.45Å; A307-V342 VanDerWaalsContact CB-CG1 3.45Å; E310-V342 PolarHBondContact O-N 2.86Å; V313-V342 HydrophobicContact CG2-CG1 4.16Å; V313-V342 HydrophobicContact CG2-CG2 3.91Å; V342-V345 HydrophobicContact CG1-CG1 4.16Å; V342-A356 HydrophobicContact CG1-CB 3.99Å; V342-S357 CarbonylContact C-O 3.57Å; V342-S357 WeakPolarHBondContact CA-O 3.3Å; V342-S357 WeakPolarHBondContact CG1-O 3.39Å; V342-F358 HydrophobicContact CG2-CD1 4.12Å; V342-F358 HydrophobicContact CG2-CE1 3.65Å; V342-F358 HydrophobicContact CG2-CZ 4.25Å |
| 343 | I | 77.7 | Confident | 68.3 | Low | 43 Ų | 43 | 41.3 Ų | 41.3 | 22% | 0.221 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -54.8 | 173.5 | -59.1 | 179.5 | 0 | 0 | 0 | 109.2 | S295 K341 S357 N359 H442 S443 | S295-I343 WeakPolarHBondContact CB-O 3.15Å; K341-I343 PolarHBondContact O-N 3.13Å; I343-S357 PolarHBondContact N-O 3.33Å; I343-N359 HydrophobicContact CD1-CB 3.57Å; I343-N359 HydrophobicContact CG1-CB 3.84Å; I343-H442 HydrophobicContact CD1-CB 4.5Å; I343-S443 WeakPolarHBondContact CD1-O 3.39Å |
| 344 | N | 82.7 | Confident | 70.3 | Confident | 22 Ų | 22 | 40.9 Ų | 40.9 | 12% | 0.118 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 150 | -176.8 | -56.9 | -73.8 | 0 | 0 | 0 | 113.3 | S295 A356 S357 H444 L445 L446 | S295-N344 WeakPolarHBondContact OG-CA 3.4Å; N344-A356 CarbonylContact O-C 3.57Å; N344-A356 WeakPolarHBondContact O-CA 3.35Å; N344-S357 WeakPolarHBondContact CB-OG 3.43Å; N344-S357 PolarHBondContact N-O 2.65Å; N344-S357 PolarHBondContact N-OG 3.04Å; N344-S357 PolarHBondContact O-N 3.14Å; N344-S357 PolarHBondContact O-OG 3.45Å; N344-H444 PolarHBondContact ND2-O 2.92Å; N344-L445 WeakPolarHBondContact ND2-CA 3.39Å; N344-L445 PolarHBondContact ND2-N 3.35Å; N344-L446 HydrophobicContact CB-CB 4.42Å; N344-L446 HydrophobicContact CB-CG 4.25Å |
| 345 | V | 87.5 | Confident | 72.3 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 145.2 | 167.9 | -80 | 0 | 0 | 0 | 0 | 109.9 | S295 T297 V305 A307 V313 V342 L354 A355 A356 | S295-V345 PolarHBondContact OG-N 3.47Å; T297-V345 HydrophobicContact CG2-CB 4.21Å; T297-V345 HydrophobicContact CG2-CG2 4.02Å; V305-V345 HydrophobicContact CB-CG2 4.43Å; V305-V345 HydrophobicContact CG1-CB 3.98Å; V305-V345 HydrophobicContact CG1-CG1 3.85Å; V305-V345 HydrophobicContact CG1-CG2 4.09Å; A307-V345 HydrophobicContact CB-CG1 4.17Å; A307-V345 HydrophobicContact CB-CG2 4.16Å; V313-V345 HydrophobicContact CG1-CG1 3.76Å; V313-V345 HydrophobicContact CG2-CG1 4.1Å; V342-V345 HydrophobicContact CG1-CG1 4.16Å; V345-L354 HydrophobicContact CB-CD1 4.26Å; V345-L354 HydrophobicContact CG1-CD1 4.49Å; V345-A355 WeakPolarHBondContact CA-O 3.33Å; V345-A356 HydrophobicContact CG1-CB 3.84Å |
| 346 | S | 86.2 | Confident | 74.1 | Confident | 20 Ų | 20 | 37.6 Ų | 37.6 | 14% | 0.14 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 134.8 | 177.2 | -160.7 | 0 | 0 | 0 | 0 | 109.2 | A355 W448 | S346-A355 PolarHBondContact N-O 2.99Å; S346-A355 PolarHBondContact O-N 3.1Å; S346-W448 VanDerWaalsContact O-CD1 3.29Å; S346-W448 PolarHBondContact O-NE1 2.69Å |
| 347 | Y | 85.4 | Confident | 75.5 | Confident | 34 Ų | 34 | 36.9 Ų | 36.9 | 13% | 0.133 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136.9 | -170.9 | 173.1 | -107.6 | 0 | 0 | 0 | 112 | A299 E349 C352 L354 W417 | A299-Y347 HydrophobicContact CB-CD1 3.95Å; A299-Y347 HydrophobicContact CB-CD2 3.66Å; A299-Y347 HydrophobicContact CB-CE1 4.14Å; A299-Y347 HydrophobicContact CB-CE2 3.87Å; A299-Y347 HydrophobicContact CB-CG 3.68Å; Y347-E349 HydrophobicContact CD1-CB 4.37Å; Y347-E349 VanDerWaalsContact CE1-CA 3.49Å; Y347-E349 HydrophobicContact CE1-CB 3.98Å; Y347-E349 HydrophobicContact CE1-CG 4.33Å; Y347-C352 HydrophobicContact CE2-CB 4.5Å; Y347-C352 WeakPolarHBondContact OH-CA 3.48Å; Y347-L354 HydrophobicContact CD2-CB 4.22Å; Y347-W417 AromaticContact CD2-CH2 3.94Å; Y347-W417 HydrophobicContact CD2-CH2 3.94Å; Y347-W417 HydrophobicContact CD2-CZ3 4.48Å; Y347-W417 AromaticContact CE2-CH2 3.6Å; Y347-W417 HydrophobicContact CE2-CH2 3.6Å; Y347-W417 HydrophobicContact CE2-CZ3 4.2Å |
| 348 | S | 79.6 | Confident | 76.9 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 5% | 0.049 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 105.2 | 170.8 | 177 | 0 | 0 | 0 | 0 | 109.4 | A350 C352 I353 | S348-A350 VanDerWaalsContact C-N 3.31Å; S348-A350 PolarHBondContact O-N 3.42Å; S348-C352 CarbonylContact O-C 3.4Å; S348-C352 VanDerWaalsContact O-CA 3.25Å; S348-C352 WeakPolarHBondContact O-CA 3.49Å; S348-C352 PolarHBondContact O-N 3.34Å; S348-I353 PolarHBondContact N-O 2.95Å; S348-I353 PolarHBondContact O-N 2.83Å; S348-I353 VanDerWaalsContact O-N 3.09Å |
| 349 | E | 73.7 | Confident | 78 | Confident | 153 Ų | 153 | 31.1 Ų | 31.1 | 72% | 0.715 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -31.8 | -179.9 | -167.9 | 173.7 | -176.5 | 0 | 0 | 112.5 | Y347 Y351 | Y347-E349 HydrophobicContact CD1-CB 4.37Å; Y347-E349 VanDerWaalsContact CE1-CA 3.49Å; Y347-E349 HydrophobicContact CE1-CB 3.98Å; Y347-E349 HydrophobicContact CE1-CG 4.33Å; E349-Y351 PolarHBondContact O-N 3.05Å |
| 350 | A | 67.2 | Low | 78.1 | Confident | 71 Ų | 71 | 28 Ų | 28 | 59% | 0.587 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -23.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S348 | S348-A350 VanDerWaalsContact C-N 3.31Å; S348-A350 PolarHBondContact O-N 3.42Å |
| 351 | Y | 66.4 | Low | 77.9 | Confident | 103 Ų | 103 | 27.9 Ų | 27.9 | 40% | 0.404 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | 3.2 | -179.4 | -65.7 | -100.7 | 0 | 0 | 0 | 112.5 | E349 I353 E453 | E349-Y351 PolarHBondContact O-N 3.05Å; Y351-I353 VanDerWaalsContact C-N 3.25Å; Y351-I353 WeakPolarHBondContact O-CG1 3.11Å; Y351-I353 PolarHBondContact O-N 3.37Å; Y351-E453 HydrophobicContact CD1-CG 4.22Å; Y351-E453 HydrophobicContact CD2-CG 3.43Å; Y351-E453 VanDerWaalsContact CD2-CG 3.43Å; Y351-E453 HydrophobicContact CE1-CG 4.1Å; Y351-E453 HydrophobicContact CE2-CG 3.32Å; Y351-E453 HydrophobicContact CG-CG 3.9Å |
| 352 | C | 77.4 | Confident | 77.7 | Confident | 40 Ų | 40 | 25.9 Ų | 25.9 | 27% | 0.27 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 37.1 | -174.3 | -47.1 | 0 | 0 | 0 | 0 | 113.6 | Y347 S348 Y368 | Y347-C352 HydrophobicContact CE2-CB 4.5Å; Y347-C352 WeakPolarHBondContact OH-CA 3.48Å; S348-C352 CarbonylContact O-C 3.4Å; S348-C352 VanDerWaalsContact O-CA 3.25Å; S348-C352 WeakPolarHBondContact O-CA 3.49Å; S348-C352 PolarHBondContact O-N 3.34Å; C352-Y368 HydrophobicContact CB-CD1 4.24Å; C352-Y368 WeakPolarHBondContact CB-O 3.29Å; C352-Y368 PolarHBondContact O-N 3.29Å |
| 353 | I | 78.7 | Confident | 77.4 | Confident | 5 Ų | 5 | 25.8 Ų | 25.8 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 118.5 | -178 | -56.2 | -177.6 | 0 | 0 | 0 | 110.7 | S348 Y351 F365 W366 Q367 W448 E453 | S348-I353 PolarHBondContact N-O 2.95Å; S348-I353 PolarHBondContact O-N 2.83Å; S348-I353 VanDerWaalsContact O-N 3.09Å; Y351-I353 VanDerWaalsContact C-N 3.25Å; Y351-I353 WeakPolarHBondContact O-CG1 3.11Å; Y351-I353 PolarHBondContact O-N 3.37Å; I353-F365 HydrophobicContact CG2-CB 4.22Å; I353-F365 HydrophobicContact CG2-CD1 3.99Å; I353-W366 CarbonylContact C-O 3.18Å; I353-W366 VanDerWaalsContact CA-O 3.3Å; I353-W366 WeakPolarHBondContact CA-O 3.13Å; I353-Q367 HydrophobicContact CG1-CB 4.16Å; I353-Q367 HydrophobicContact CG1-CG 4.01Å; I353-W448 HydrophobicContact CB-CH2 4.36Å; I353-W448 HydrophobicContact CB-CZ2 4.26Å; I353-W448 HydrophobicContact CG2-CH2 4.05Å; I353-W448 HydrophobicContact CG2-CZ2 3.82Å; I353-E453 WeakPolarHBondContact CD1-OE1 3.3Å |
| 354 | L | 86.2 | Confident | 77.2 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 133.5 | 166.5 | 177.1 | 65.8 | 0 | 0 | 0 | 109.9 | V305 V313 L326 V345 Y347 F365 W366 W417 | V305-L354 HydrophobicContact CB-CD1 4.5Å; V305-L354 HydrophobicContact CG1-CD1 3.89Å; V305-L354 HydrophobicContact CG1-CD2 3.71Å; V305-L354 HydrophobicContact CG1-CG 4.47Å; V305-L354 HydrophobicContact CG2-CD1 4.27Å; V305-L354 HydrophobicContact CG2-CD2 4.49Å; V313-L354 HydrophobicContact CG1-CD2 4.22Å; L326-L354 HydrophobicContact CD1-CD2 3.59Å; V345-L354 HydrophobicContact CB-CD1 4.26Å; V345-L354 HydrophobicContact CG1-CD1 4.49Å; Y347-L354 HydrophobicContact CD2-CB 4.22Å; L354-F365 CarbonylContact O-C 3.57Å; L354-F365 VanDerWaalsContact O-CA 3.29Å; L354-F365 WeakPolarHBondContact O-CA 3.48Å; L354-W366 HydrophobicContact CD2-CE3 4.34Å; L354-W366 HydrophobicContact CG-CE3 4.38Å; L354-W366 PolarHBondContact N-O 2.87Å; L354-W366 PolarHBondContact O-N 3.31Å; L354-W417 HydrophobicContact CB-CE3 4.34Å; L354-W417 HydrophobicContact CB-CH2 3.91Å; L354-W417 HydrophobicContact CB-CZ3 3.5Å; L354-W417 VanDerWaalsContact CB-CZ3 3.5Å |
| 355 | A | 84.2 | Confident | 77 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 138.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V345 S346 V363 E364 F365 L446 W448 L455 | V345-A355 WeakPolarHBondContact CA-O 3.33Å; S346-A355 PolarHBondContact N-O 2.99Å; S346-A355 PolarHBondContact O-N 3.1Å; A355-V363 HydrophobicContact CB-CG1 4Å; A355-E364 VanDerWaalsContact CA-O 3.27Å; A355-E364 WeakPolarHBondContact CA-O 3.02Å; A355-F365 HydrophobicContact CB-CD1 4.02Å; A355-F365 HydrophobicContact CB-CE1 4.09Å; A355-L446 HydrophobicContact CB-CD1 4.19Å; A355-W448 HydrophobicContact CB-CZ2 3.88Å; A355-L455 HydrophobicContact CB-CD2 3.55Å |
| 356 | A | 84.3 | Confident | 76.7 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 142.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V313 V342 N344 V345 F358 V363 E364 W366 | V313-A356 HydrophobicContact CG2-CB 3.48Å; V313-A356 VanDerWaalsContact CG2-CB 3.48Å; V342-A356 HydrophobicContact CG1-CB 3.99Å; N344-A356 CarbonylContact O-C 3.57Å; N344-A356 WeakPolarHBondContact O-CA 3.35Å; V345-A356 HydrophobicContact CG1-CB 3.84Å; A356-F358 HydrophobicContact CB-CE2 4.46Å; A356-F358 WeakPolarHBondContact O-CE2 3.36Å; A356-V363 VanDerWaalsContact O-CA 3.29Å; A356-V363 WeakPolarHBondContact O-CA 3.5Å; A356-E364 PolarHBondContact N-O 2.84Å; A356-E364 PolarHBondContact O-N 3.2Å; A356-W366 HydrophobicContact CB-CH2 3.87Å; A356-W366 HydrophobicContact CB-CZ3 3.52Å |
| 357 | S | 79.4 | Confident | 76.4 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 147.3 | -174.5 | 69.6 | 0 | 0 | 0 | 0 | 112.6 | V342 I343 N344 M362 S443 | V342-S357 CarbonylContact C-O 3.57Å; V342-S357 WeakPolarHBondContact CA-O 3.3Å; V342-S357 WeakPolarHBondContact CG1-O 3.39Å; I343-S357 PolarHBondContact N-O 3.33Å; N344-S357 WeakPolarHBondContact CB-OG 3.43Å; N344-S357 PolarHBondContact N-O 2.65Å; N344-S357 PolarHBondContact N-OG 3.04Å; N344-S357 PolarHBondContact O-N 3.14Å; N344-S357 PolarHBondContact O-OG 3.45Å; S357-M362 WeakPolarHBondContact CA-O 3.32Å; S357-S443 WeakPolarHBondContact CB-OG 3.46Å; S357-S443 PolarHBondContact OG-OG 2.94Å |
| 358 | F | 77.4 | Confident | 75.9 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 155.1 | -164.5 | -59.6 | -97.5 | 0 | 0 | 0 | 112.8 | P328 L340 K341 V342 A356 N360 G361 M362 E364 S443 K1178 E1182 | P328-F358 HydrophobicContact CB-CE1 4.18Å; P328-F358 HydrophobicContact CB-CZ 3.87Å; P328-F358 HydrophobicContact CG-CE1 4.18Å; P328-F358 HydrophobicContact CG-CZ 4.37Å; L340-F358 HydrophobicContact CD2-CB 4.44Å; L340-F358 HydrophobicContact CD2-CD1 3.94Å; L340-F358 HydrophobicContact CD2-CG 4.46Å; K341-F358 WeakPolarHBondContact O-CA 3.34Å; V342-F358 HydrophobicContact CG2-CD1 4.12Å; V342-F358 HydrophobicContact CG2-CE1 3.65Å; V342-F358 HydrophobicContact CG2-CZ 4.25Å; A356-F358 HydrophobicContact CB-CE2 4.46Å; A356-F358 WeakPolarHBondContact O-CE2 3.36Å; F358-N360 PolarHBondContact O-N 3.26Å; F358-G361 PolarHBondContact O-N 2.79Å; F358-M362 PolarHBondContact N-O 2.96Å; F358-E364 HydrophobicContact CE2-CB 3.93Å; F358-E364 HydrophobicContact CZ-CB 4.49Å; F358-S443 PolarHBondContact N-OG 3.14Å; F358-S443 VanDerWaalsContact N-OG 3.14Å; F358-S443 PolarHBondContact O-OG 3.14Å; F358-K1178 HydrophobicContact CD2-CD 4.39Å; F358-K1178 VanDerWaalsContact CE2-NZ 3.26Å; F358-K1178 HydrophobicContact CG-CD 4.5Å; F358-K1178 VanDerWaalsContact CG-CE 3.49Å; F358-E1182 WeakPolarHBondContact CD1-OE1 3.39Å; F358-E1182 WeakPolarHBondContact CE1-OE1 3.22Å |
| 359 | N | 75.2 | Confident | 75.1 | Confident | 27 Ų | 27 | 28.7 Ų | 28.7 | 14% | 0.144 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 41.2 | 178.1 | 75.8 | -29.1 | 0 | 0 | 0 | 115.2 | D339 L340 K341 I343 H442 | D339-N359 PolarHBondContact O-ND2 2.71Å; D339-N359 PolarHBondContact O-OD1 2.82Å; L340-N359 WeakPolarHBondContact CA-OD1 3.47Å; K341-N359 HydrophobicContact CB-CB 4.42Å; K341-N359 PolarHBondContact N-OD1 3.46Å; K341-N359 PolarHBondContact O-N 3.09Å; K341-N359 PolarHBondContact O-OD1 3.25Å; I343-N359 HydrophobicContact CD1-CB 3.57Å; I343-N359 HydrophobicContact CG1-CB 3.84Å; N359-H442 VanDerWaalsContact CA-ND1 3.28Å; N359-H442 WeakPolarHBondContact CA-ND1 3.36Å; N359-H442 WeakPolarHBondContact CB-ND1 3.42Å; N359-H442 PolarHBondContact O-CE1 2.9Å; N359-H442 VanDerWaalsContact O-CE1 3.22Å; N359-H442 PolarHBondContact O-ND1 2.82Å; N359-H442 VanDerWaalsContact O-ND1 3.13Å |
| 360 | N | 68 | Low | 74.1 | Confident | 7 Ų | 7 | 24.9 Ų | 24.9 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -146.6 | 12.3 | 171.2 | 55.2 | 38.6 | 0 | 0 | 0 | 112.2 | L340 F358 M362 S441 | L340-N360 WeakPolarHBondContact CD1-ND2 3.44Å; L340-N360 WeakPolarHBondContact CD2-ND2 3.35Å; L340-N360 WeakPolarHBondContact CG-ND2 3.33Å; F358-N360 PolarHBondContact O-N 3.26Å; N360-M362 VanDerWaalsContact OD1-CB 3.29Å; N360-M362 WeakPolarHBondContact OD1-CB 3.2Å; N360-M362 VanDerWaalsContact OD1-CG 3.31Å; N360-M362 WeakPolarHBondContact OD1-CG 3.49Å; N360-M362 PolarHBondContact OD1-N 3.1Å; N360-S441 CarbonylContact C-O 3.58Å; N360-S441 WeakPolarHBondContact CA-O 3.39Å; N360-S441 PolarHBondContact O-OG 2.74Å |
| 361 | G | 66.4 | Low | 72.9 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 95.2 | -9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | F358 L426 S441 L459 | F358-G361 PolarHBondContact O-N 2.79Å; G361-L426 WeakPolarHBondContact O-CD1 3.37Å; G361-S441 PolarHBondContact N-O 2.69Å; G361-S441 VanDerWaalsContact N-O 3.16Å; G361-L459 VanDerWaalsContact CA-CD2 3.45Å; G361-L459 VanDerWaalsContact O-CD2 3.28Å; G361-L459 WeakPolarHBondContact O-CD2 3.41Å |
| 362 | M | 68.7 | Low | 71.3 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | trans | -92.2 | 164.9 | -167.9 | -70.9 | -95.2 | -39.2 | 0 | 0 | 114.8 | S357 F358 N360 L424 W425 M1175 K1178 | S357-M362 WeakPolarHBondContact CA-O 3.32Å; F358-M362 PolarHBondContact N-O 2.96Å; N360-M362 VanDerWaalsContact OD1-CB 3.29Å; N360-M362 WeakPolarHBondContact OD1-CB 3.2Å; N360-M362 VanDerWaalsContact OD1-CG 3.31Å; N360-M362 WeakPolarHBondContact OD1-CG 3.49Å; N360-M362 PolarHBondContact OD1-N 3.1Å; M362-L424 VanDerWaalsContact CE-C 3.42Å; M362-L424 WeakPolarHBondContact CE-O 3.06Å; M362-W425 HydrophobicContact CG-CD2 4.39Å; M362-W425 WeakPolarHBondContact SD-CA 3.44Å; M362-W425 HydrophobicContact SD-CB 3.9Å; M362-W425 HydrophobicContact SD-CD2 3.68Å; M362-W425 HydrophobicContact SD-CG 3.36Å; M362-W425 PolarHBondContact SD-N 3.33Å; M362-W425 VanDerWaalsContact SD-N 3.36Å; M362-W425 PolarHBondContact SD-NE1 2.8Å; M362-M1175 HydrophobicContact CE-CE 4.01Å; M362-M1175 HydrophobicContact CE-SD 4.35Å; M362-K1178 HydrophobicContact CB-CB 4.49Å; M362-K1178 HydrophobicContact CB-CD 3.36Å; M362-K1178 HydrophobicContact CB-CG 4.21Å; M362-K1178 HydrophobicContact CE-CB 3.79Å; M362-K1178 HydrophobicContact CE-CD 3.81Å; M362-K1178 HydrophobicContact CE-CG 4.29Å; M362-K1178 HydrophobicContact CG-CB 3.57Å; M362-K1178 HydrophobicContact CG-CD 3.48Å; M362-K1178 VanDerWaalsContact CG-CD 3.48Å; M362-K1178 HydrophobicContact CG-CG 3.77Å; M362-K1178 HydrophobicContact SD-CB 3.6Å; M362-K1178 HydrophobicContact SD-CD 4.2Å; M362-K1178 HydrophobicContact SD-CG 4.34Å | ||
| 363 | V | 73.2 | Confident | 68.9 | Low | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 148.9 | 172.8 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | A355 A356 F365 L446 L455 I457 | A355-V363 HydrophobicContact CB-CG1 4Å; A356-V363 VanDerWaalsContact O-CA 3.29Å; A356-V363 WeakPolarHBondContact O-CA 3.5Å; V363-F365 HydrophobicContact CG1-CE1 4.37Å; V363-F365 HydrophobicContact CG1-CE2 4.1Å; V363-F365 HydrophobicContact CG1-CZ 3.98Å; V363-L446 HydrophobicContact CG2-CD2 3.79Å; V363-L455 HydrophobicContact CG1-CD2 3.78Å; V363-I457 HydrophobicContact CB-CD1 4.2Å; V363-I457 HydrophobicContact CG2-CD1 3.47Å; V363-I457 VanDerWaalsContact CG2-CD1 3.47Å; V363-I457 HydrophobicContact CG2-CG1 3.92Å; V363-I457 HydrophobicContact CG2-CG2 4.16Å |
| 364 | E | 73.5 | Confident | 66.5 | Low | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 156.2 | 172.5 | -172 | 174 | 171.2 | 0 | 0 | 110.9 | P328 N329 M330 A355 A356 F358 W366 K1178 | P328-E364 WeakPolarHBondContact CA-OE1 3.49Å; P328-E364 VanDerWaalsContact CA-OE2 3.3Å; P328-E364 WeakPolarHBondContact CA-OE2 3.39Å; P328-E364 WeakPolarHBondContact CB-OE2 3.47Å; N329-E364 WeakPolarHBondContact CB-OE1 3.4Å; N329-E364 PolarHBondContact N-OE1 3.46Å; M330-E364 HydrophobicContact CE-CB 3.69Å; M330-E364 VanDerWaalsContact CE-CD 3.43Å; M330-E364 HydrophobicContact CE-CG 3.63Å; M330-E364 WeakPolarHBondContact CE-OE2 3.34Å; M330-E364 VanDerWaalsContact SD-OE2 3.39Å; A355-E364 VanDerWaalsContact CA-O 3.27Å; A355-E364 WeakPolarHBondContact CA-O 3.02Å; A356-E364 PolarHBondContact N-O 2.84Å; A356-E364 PolarHBondContact O-N 3.2Å; F358-E364 HydrophobicContact CE2-CB 3.93Å; F358-E364 HydrophobicContact CZ-CB 4.49Å; E364-W366 HydrophobicContact CB-CH2 3.83Å; E364-W366 HydrophobicContact CB-CZ3 3.91Å; E364-W366 VanDerWaalsContact CD-CZ2 3.48Å; E364-W366 HydrophobicContact CG-CE3 4.46Å; E364-W366 HydrophobicContact CG-CH2 3.75Å; E364-W366 HydrophobicContact CG-CZ2 4.02Å; E364-W366 HydrophobicContact CG-CZ3 3.98Å; E364-W366 WeakPolarHBondContact OE1-CZ2 3.34Å; E364-K1178 IonicContact OE2-NZ 2.8Å |
| 365 | F | 78.5 | Confident | 63.9 | Low | 12 Ų | 12 | 43.9 Ų | 43.9 | 5% | 0.053 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 136.7 | -174.4 | -56.6 | -94.2 | 0 | 0 | 0 | 113.1 | V3 I353 L354 A355 V363 Q420 S422 W448 L455 L483 | V3-F365 HydrophobicContact CB-CE2 4.49Å; V3-F365 HydrophobicContact CG1-CE2 4.19Å; V3-F365 HydrophobicContact CG1-CZ 4.38Å; V3-F365 HydrophobicContact CG2-CE2 4.34Å; I353-F365 HydrophobicContact CG2-CB 4.22Å; I353-F365 HydrophobicContact CG2-CD1 3.99Å; L354-F365 CarbonylContact O-C 3.57Å; L354-F365 VanDerWaalsContact O-CA 3.29Å; L354-F365 WeakPolarHBondContact O-CA 3.48Å; A355-F365 HydrophobicContact CB-CD1 4.02Å; A355-F365 HydrophobicContact CB-CE1 4.09Å; V363-F365 HydrophobicContact CG1-CE1 4.37Å; V363-F365 HydrophobicContact CG1-CE2 4.1Å; V363-F365 HydrophobicContact CG1-CZ 3.98Å; F365-Q420 HydrophobicContact CB-CB 4.16Å; F365-Q420 HydrophobicContact CB-CG 4.24Å; F365-Q420 PolarHBondContact O-N 3.05Å; F365-S422 WeakPolarHBondContact CD2-O 3.46Å; F365-W448 HydrophobicContact CD1-CH2 4.16Å; F365-W448 AromaticContact CD1-CZ2 3.9Å; F365-W448 HydrophobicContact CD1-CZ2 3.9Å; F365-W448 AromaticContact CE1-CH2 3.9Å; F365-W448 HydrophobicContact CE1-CH2 3.9Å; F365-W448 AromaticContact CE1-CZ2 3.81Å; F365-W448 HydrophobicContact CE1-CZ2 3.81Å; F365-L455 HydrophobicContact CE1-CD2 3.65Å; F365-L455 HydrophobicContact CZ-CD2 3.91Å; F365-L483 HydrophobicContact CE2-CD1 4.24Å; F365-L483 HydrophobicContact CZ-CD1 3.73Å |
| 366 | W | 81 | Confident | 61.3 | Low | 5 Ų | 5 | 52.1 Ų | 52.1 | 2% | 0.019 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138 | 169.4 | -57.9 | -106.4 | 0 | 0 | 0 | 109.2 | V313 L326 P328 I353 L354 A356 E364 W417 H418 | V313-W366 HydrophobicContact CG2-CH2 4.08Å; V313-W366 HydrophobicContact CG2-CZ3 4.45Å; L326-W366 HydrophobicContact CB-CD2 4.36Å; L326-W366 HydrophobicContact CB-CZ2 4.24Å; L326-W366 HydrophobicContact CD1-CB 4.25Å; L326-W366 HydrophobicContact CD1-CD2 4.27Å; L326-W366 HydrophobicContact CD1-CG 4.02Å; P328-W366 HydrophobicContact CB-CZ2 4.46Å; I353-W366 CarbonylContact C-O 3.18Å; I353-W366 VanDerWaalsContact CA-O 3.3Å; I353-W366 WeakPolarHBondContact CA-O 3.13Å; L354-W366 HydrophobicContact CD2-CE3 4.34Å; L354-W366 HydrophobicContact CG-CE3 4.38Å; L354-W366 PolarHBondContact N-O 2.87Å; L354-W366 PolarHBondContact O-N 3.31Å; A356-W366 HydrophobicContact CB-CH2 3.87Å; A356-W366 HydrophobicContact CB-CZ3 3.52Å; E364-W366 HydrophobicContact CB-CH2 3.83Å; E364-W366 HydrophobicContact CB-CZ3 3.91Å; E364-W366 VanDerWaalsContact CD-CZ2 3.48Å; E364-W366 HydrophobicContact CG-CE3 4.46Å; E364-W366 HydrophobicContact CG-CH2 3.75Å; E364-W366 HydrophobicContact CG-CZ2 4.02Å; E364-W366 HydrophobicContact CG-CZ3 3.98Å; E364-W366 WeakPolarHBondContact OE1-CZ2 3.34Å; W366-W417 HydrophobicContact CB-CE3 3.83Å; W366-W417 HydrophobicContact CB-CZ3 4.5Å; W366-H418 WeakPolarHBondContact CA-O 3.48Å |
| 367 | Q | 79.3 | Confident | 58.7 | Low | 48 Ų | 48 | 61 Ų | 61 | 22% | 0.224 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.9 | 177.6 | -176.1 | 173.8 | 4.8 | 0 | 0 | 110.3 | I353 H418 Q420 | I353-Q367 HydrophobicContact CG1-CB 4.16Å; I353-Q367 HydrophobicContact CG1-CG 4.01Å; Q367-H418 PolarHBondContact N-O 3.28Å; Q367-H418 PolarHBondContact O-N 2.92Å; Q367-Q420 HydrophobicContact CB-CG 4.45Å |
| 368 | Y | 76.4 | Confident | 56.5 | Low | 77 Ų | 77 | 63.7 Ų | 63.7 | 30% | 0.302 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 130.9 | -179.9 | 176.2 | -99.1 | 0 | 0 | 0 | 111.9 | C352 T370 S416 W417 | C352-Y368 HydrophobicContact CB-CD1 4.24Å; C352-Y368 WeakPolarHBondContact CB-O 3.29Å; C352-Y368 PolarHBondContact O-N 3.29Å; Y368-T370 HydrophobicContact CD1-CG2 4.36Å; Y368-T370 HydrophobicContact CE1-CG2 3.47Å; Y368-T370 VanDerWaalsContact CE1-CG2 3.47Å; Y368-S416 CarbonylContact C-O 3.57Å; Y368-S416 VanDerWaalsContact CA-O 3.29Å; Y368-S416 WeakPolarHBondContact CA-O 3.35Å; Y368-S416 VanDerWaalsContact CD2-CB 3.49Å; Y368-W417 AromaticContact CD2-CD1 3.85Å; Y368-W417 AromaticContact CD2-CD2 3.97Å; Y368-W417 HydrophobicContact CD2-CD2 3.97Å; Y368-W417 AromaticContact CD2-CE2 3.65Å; Y368-W417 HydrophobicContact CD2-CG 4.1Å; Y368-W417 HydrophobicContact CD2-CZ2 4.16Å; Y368-W417 AromaticContact CD2-NE1 3.55Å; Y368-W417 HydrophobicContact CG-CD2 4.36Å; Y368-W417 HydrophobicContact CG-CZ2 4.32Å |
| 369 | C | 62.5 | Low | 54.5 | Low | 51 Ų | 51 | 66.4 Ų | 66.4 | 35% | 0.345 | 34% | 0.337 | S | S | . | . | trans | -132.3 | 126.6 | -176.9 | -66.6 | 0 | 0 | 0 | 0 | 111.6 | S416 | C369-S416 PolarHBondContact N-O 3.35Å; C369-S416 VanDerWaalsContact O-CB 3.22Å; C369-S416 WeakPolarHBondContact O-CB 3.18Å; C369-S416 PolarHBondContact O-OG 3.02Å | ||
| 370 | T | 52.6 | Low | 52.4 | Low | 73 Ų | 73 | 72.9 Ų | 72.9 | 45% | 0.448 | 37% | 0.366 | S | S | . | . | trans | -106.2 | -47.6 | 180 | 42.1 | 0 | 0 | 0 | 0 | 113.3 | Y368 R411 | Y368-T370 HydrophobicContact CD1-CG2 4.36Å; Y368-T370 HydrophobicContact CE1-CG2 3.47Å; Y368-T370 VanDerWaalsContact CE1-CG2 3.47Å; T370-R411 PolarHBondContact O-NH1 2.88Å | ||
| 371 | E | 42.1 | Very low | 50.7 | Low | 159 Ų | 159 | 76.8 Ų | 76.8 | 74% | 0.743 | 39% | 0.389 | S | S | * | . | trans | -103.8 | 121.6 | -169.5 | -62.6 | -174.7 | 151.5 | 0 | 0 | 112.3 | E373 | E371-E373 PolarHBondContact O-N 3.14Š| ||
| 372 | L | 31.8 | Very low | 49 | Very low | 118 Ų | 118 | 82.3 Ų | 82.3 | 62% | 0.618 | 42% | 0.415 | S | S | * | . | trans | -88.9 | 72.3 | 172.9 | -85.7 | 84 | 0 | 0 | 0 | 110.7 | S374 L378 | L372-S374 PolarHBondContact O-N 3.47Å; L372-L378 HydrophobicContact CD2-CD1 3.64Å; L372-L378 HydrophobicContact CG-CD1 4.29Å | ||
| 373 | E | 28.6 | Very low | 47.2 | Very low | 169 Ų | 169 | 90.3 Ų | 90.3 | 79% | 0.79 | 45% | 0.445 | S | S | * | . | trans | -68.3 | 97.7 | 167.3 | -73.5 | -136.8 | 124.6 | 0 | 0 | 111 | E371 | E371-E373 PolarHBondContact O-N 3.14Š| ||
| 374 | S | 26.5 | Very low | 45.1 | Very low | 56 Ų | 56 | 94.5 Ų | 94.5 | 39% | 0.392 | 48% | 0.475 | S | S | . | . | trans | 71.8 | 126.7 | 177.3 | 83.9 | 0 | 0 | 0 | 0 | 116.8 | L372 K376 | L372-S374 PolarHBondContact O-N 3.47Å; S374-K376 PolarHBondContact O-N 3.02Å | ||
| 375 | P | 31.6 | Very low | 42.8 | Very low | 117 Ų | 117 | 96.8 Ų | 96.8 | 76% | 0.76 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 3.5 | 175.8 | -24.6 | 35.2 | 0 | 0 | 0 | 116.5 | ||
| 376 | K | 30.7 | Very low | 40.4 | Very low | 172 Ų | 172 | 100.3 Ų | 100.3 | 75% | 0.748 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -22.2 | -169.8 | -72.7 | -175.4 | 176.1 | 179 | 0 | 114.7 | S374 S379 | S374-K376 PolarHBondContact O-N 3.02Å; K376-S379 PolarHBondContact O-OG 3.29Å |
| 377 | Y | 30.3 | Very low | 37.9 | Very low | 188 Ų | 188 | 100 Ų | 100 | 74% | 0.737 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -87.3 | -25.6 | -178.7 | -73.9 | -79.1 | 0 | 0 | 0 | 113.8 | S379 | Y377-S379 PolarHBondContact O-N 3.29Š|
| 378 | L | 32.7 | Very low | 35.5 | Very low | 55 Ų | 55 | 98.4 Ų | 98.4 | 29% | 0.288 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -66.2 | -32.7 | -175.8 | -78.6 | 154.8 | 0 | 0 | 0 | 113.9 | L372 H380 V381 Q382 | L372-L378 HydrophobicContact CD2-CD1 3.64Å; L372-L378 HydrophobicContact CG-CD1 4.29Å; L378-H380 PolarHBondContact O-N 3.07Å; L378-V381 PolarHBondContact O-N 3.15Å; L378-Q382 HydrophobicContact CD2-CG 4.24Å; L378-Q382 PolarHBondContact O-N 3.18Å; L378-Q382 VanDerWaalsContact O-N 3.16Å |
| 379 | S | 34.9 | Very low | 33.4 | Very low | 58 Ų | 58 | 94.7 Ų | 94.7 | 41% | 0.406 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -65.1 | -12.6 | -176.7 | 56.9 | 0 | 0 | 0 | 0 | 115.2 | K376 Y377 | K376-S379 PolarHBondContact O-OG 3.29Å; Y377-S379 PolarHBondContact O-N 3.29Å |
| 380 | H | 31 | Very low | 31.9 | Very low | 163 Ų | 163 | 92.3 Ų | 92.3 | 76% | 0.755 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -106.5 | -12.6 | 178.5 | -70.5 | -71.9 | 0 | 0 | 0 | 114.2 | L378 | L378-H380 PolarHBondContact O-N 3.07Š|
| 381 | V | 32.4 | Very low | 30.8 | Very low | 88 Ų | 88 | 89.4 Ų | 89.4 | 53% | 0.533 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -39.1 | 179.2 | -176 | 0 | 0 | 0 | 0 | 111.4 | L378 R383 | L378-V381 PolarHBondContact O-N 3.15Å; V381-R383 VanDerWaalsContact C-N 3.32Å; V381-R383 PolarHBondContact O-N 3.4Å |
| 382 | Q | 31.6 | Very low | 30.1 | Very low | 117 Ų | 117 | 89.1 Ų | 89.1 | 55% | 0.547 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -2.4 | -173.5 | -67.2 | -178.2 | -42.9 | 0 | 0 | 115.3 | L378 | L378-Q382 HydrophobicContact CD2-CG 4.24Å; L378-Q382 PolarHBondContact O-N 3.18Å; L378-Q382 VanDerWaalsContact O-N 3.16Å |
| 383 | R | 30.6 | Very low | 29.8 | Very low | 170 Ų | 170 | 84.9 Ų | 84.9 | 64% | 0.642 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 20.7 | -177.7 | -95.9 | 178 | 167 | 164.4 | -8.7 | 114.7 | V381 E1255 | V381-R383 VanDerWaalsContact C-N 3.32Å; V381-R383 PolarHBondContact O-N 3.4Å; R383-E1255 IonicContact CZ-OE1 3.8Å; R383-E1255 IonicContact NE-OE1 2.86Å; R383-E1255 IonicContact NH2-OE1 2.67Å; R383-E1255 PolarHBondContact NH2-OE1 3.07Å |
| 384 | S | 28.5 | Very low | 29.7 | Very low | 88 Ų | 88 | 84.1 Ų | 84.1 | 62% | 0.615 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -141 | 11.8 | 175.6 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 385 | N | 25.3 | Very low | 29.8 | Very low | 49 Ų | 49 | 92.3 Ų | 92.3 | 26% | 0.262 | 46% | 0.457 | S | S | . | . | trans | -120.4 | 155.2 | 171.7 | -114.9 | -8.7 | 0 | 0 | 0 | 106.4 | P419 | N385-P419 PolarHBondContact ND2-O 2.87Š| ||
| 386 | L | 28.1 | Very low | 29.8 | Very low | 85 Ų | 85 | 92.6 Ų | 92.6 | 45% | 0.445 | 45% | 0.451 | S | S | . | . | trans | 69.3 | 142.7 | -179.4 | -34.9 | 127.9 | 0 | 0 | 0 | 111.3 | R1222 S1226 | L386-R1222 HydrophobicContact CB-CG 4.28Å; L386-R1222 HydrophobicContact CD2-CG 4.28Å; L386-S1226 WeakPolarHBondContact O-CB 3.48Å; L386-S1226 PolarHBondContact O-OG 3.09Å | ||
| 387 | T | 29.3 | Very low | 29.6 | Very low | 0 Ų | 0 | 90 Ų | 90 | 0% | 0 | 45% | 0.445 | C | S | . | . | cis | -124.5 | 139.6 | -2.1 | 37.6 | 0 | 0 | 0 | 0 | 115.1 | L1199 L1219 R1222 L1223 S1226 | T387-L1199 VanDerWaalsContact C-CG 3.45Å; T387-L1199 WeakPolarHBondContact O-CG 3.39Å; T387-L1219 HydrophobicContact CG2-CB 4.41Å; T387-R1222 HydrophobicContact CG2-CB 3.47Å; T387-R1222 VanDerWaalsContact CG2-CB 3.47Å; T387-R1222 HydrophobicContact CG2-CG 3.23Å; T387-R1222 WeakPolarHBondContact CG2-O 3.23Å; T387-L1223 WeakPolarHBondContact OG1-CA 2.9Å; T387-L1223 WeakPolarHBondContact OG1-CB 3.31Å; T387-L1223 WeakPolarHBondContact OG1-CD1 3.46Å; T387-L1223 PolarHBondContact OG1-N 3.37Å; T387-S1226 PolarHBondContact N-OG 3.02Å; T387-S1226 PolarHBondContact OG1-OG 2.69Å | ||
| 388 | S | 29 | Very low | 29.4 | Very low | 13 Ų | 13 | 87 Ų | 87 | 9% | 0.091 | 44% | 0.443 | C | S | . | . | -152.5 | 171.7 | 127.6 | 56.5 | 0 | 0 | 0 | 0 | 108.5 | G1195 E1196 L1199 | S388-G1195 WeakPolarHBondContact CB-O 3.48Å; S388-E1196 WeakPolarHBondContact CA-OE2 3.34Å; S388-E1196 WeakPolarHBondContact CB-OE2 3.24Å; S388-E1196 WeakPolarHBondContact OG-CA 2.93Å; S388-E1196 PolarHBondContact OG-O 3.01Å; S388-E1196 PolarHBondContact OG-OE2 3.23Å; S388-L1199 VanDerWaalsContact OG-CB 3.25Å; S388-L1199 WeakPolarHBondContact OG-CB 3.3Å; S388-L1199 VanDerWaalsContact OG-CD1 3.31Å; S388-L1199 WeakPolarHBondContact OG-CD1 3.47Å; S388-L1199 WeakPolarHBondContact OG-CG 3.45Å | |||
| 389 | S | 30.7 | Very low | 29.1 | Very low | 0 Ų | 0 | 89.5 Ų | 89.5 | 0% | 0 | 46% | 0.463 | C | S | . | . | cis | -149.6 | 75.7 | -43.2 | 52.4 | 0 | 0 | 0 | 0 | 117.7 | F1183 A1192 E1196 F1211 | S389-F1183 VanDerWaalsContact O-CE1 3.3Å; S389-F1183 WeakPolarHBondContact O-CE1 3.46Å; S389-A1192 VanDerWaalsContact CB-O 3.24Å; S389-A1192 WeakPolarHBondContact CB-O 3.35Å; S389-A1192 CarbonylContact O-C 3.48Å; S389-A1192 VanDerWaalsContact O-CA 3.23Å; S389-A1192 WeakPolarHBondContact O-CA 3.18Å; S389-A1192 VanDerWaalsContact O-CB 3.25Å; S389-A1192 WeakPolarHBondContact O-CB 3.17Å; S389-A1192 PolarHBondContact OG-O 3.42Å; S389-E1196 PolarHBondContact N-OE2 3.13Å; S389-E1196 WeakPolarHBondContact OG-CA 3.31Å; S389-E1196 WeakPolarHBondContact OG-CB 2.98Å; S389-E1196 PolarHBondContact OG-N 2.88Å; S389-F1211 VanDerWaalsContact CA-CZ 3.43Å | ||
| 390 | Q | 32.2 | Very low | 28.6 | Very low | 1 Ų | 1 | 89.2 Ų | 89.2 | 1% | 0.005 | 47% | 0.469 | C | S | . | . | trans | 70.6 | 138.8 | 158.6 | -58.8 | 148.7 | -19.9 | 0 | 0 | 119.3 | E1187 A1192 F1211 C1214 R1216 L1219 | Q390-E1187 VanDerWaalsContact C-CG 3.44Å; Q390-E1187 WeakPolarHBondContact O-CB 3.42Å; Q390-E1187 WeakPolarHBondContact O-CG 3.35Å; Q390-A1192 HydrophobicContact CB-CB 3.98Å; Q390-A1192 WeakPolarHBondContact O-CB 3.39Å; Q390-F1211 HydrophobicContact CB-CE1 4.43Å; Q390-F1211 HydrophobicContact CG-CD1 3.94Å; Q390-F1211 HydrophobicContact CG-CE1 3.47Å; Q390-F1211 VanDerWaalsContact CG-CE1 3.47Å; Q390-F1211 HydrophobicContact CG-CZ 4.43Å; Q390-F1211 VanDerWaalsContact NE2-CG 3.31Å; Q390-F1211 PolarHBondContact NE2-O 3.17Å; Q390-C1214 PolarHBondContact OE1-SG 2.88Å; Q390-R1216 HydrophobicContact CB-CB 3.81Å; Q390-R1216 HydrophobicContact CB-CG 3.86Å; Q390-R1216 HydrophobicContact CG-CB 3.47Å; Q390-R1216 VanDerWaalsContact CG-CB 3.47Å; Q390-R1216 HydrophobicContact CG-CG 4.11Å; Q390-R1216 PolarHBondContact NE2-O 3.48Å; Q390-R1216 VanDerWaalsContact OE1-CB 3.25Å; Q390-L1219 HydrophobicContact CB-CD1 4.46Å; Q390-L1219 HydrophobicContact CB-CG 4.25Å; Q390-L1219 HydrophobicContact CG-CB 3.46Å; Q390-L1219 VanDerWaalsContact CG-CB 3.46Å; Q390-L1219 HydrophobicContact CG-CD1 3.92Å; Q390-L1219 HydrophobicContact CG-CG 3.39Å | ||
| 391 | N | 28.8 | Very low | 28.3 | Very low | 11 Ų | 11 | 88.5 Ų | 88.5 | 6% | 0.059 | 47% | 0.47 | C | S | . | . | -178 | 14.5 | 123.5 | -96.4 | 29.9 | 0 | 0 | 0 | 119.7 | E1187 E1189 A1192 R1216 | N391-E1187 WeakPolarHBondContact CA-OE2 3.33Å; N391-E1187 HydrophobicContact CB-CB 3.66Å; N391-E1187 HydrophobicContact CB-CG 3.98Å; N391-E1187 WeakPolarHBondContact CB-OE2 3.35Å; N391-E1187 PolarHBondContact N-OE1 3.07Å; N391-E1187 PolarHBondContact N-OE2 3.08Å; N391-E1189 WeakPolarHBondContact ND2-CB 3.47Å; N391-E1189 PolarHBondContact ND2-N 3.35Å; N391-E1189 PolarHBondContact ND2-OE1 2.75Å; N391-E1189 PolarHBondContact ND2-OE2 3.12Å; N391-E1189 PolarHBondContact OD1-OE2 2.8Å; N391-A1192 WeakPolarHBondContact OD1-CB 3.46Å; N391-R1216 VanDerWaalsContact C-NH2 3.34Å; N391-R1216 VanDerWaalsContact CA-NH1 3.31Å; N391-R1216 PolarHBondContact O-NH1 2.77Å; N391-R1216 WeakPolarHBondContact OD1-CD 3.27Å; N391-R1216 WeakPolarHBondContact OD1-CG 2.78Å | |||
| 392 | L | 27.9 | Very low | 28 | Very low | 153 Ų | 153 | 92.9 Ų | 92.9 | 80% | 0.801 | 48% | 0.482 | S | S | * | . | trans | -109.4 | 113.2 | 154.1 | -102.9 | 77.7 | 0 | 0 | 0 | 114.1 | R1216 | L392-R1216 VanDerWaalsContact C-NH1 3.27Å; L392-R1216 VanDerWaalsContact N-NH2 3.1Å; L392-R1216 PolarHBondContact O-NH2 3.32Å | ||
| 393 | C | 25.6 | Very low | 27.7 | Very low | 30 Ų | 30 | 91.2 Ų | 91.2 | 20% | 0.203 | 48% | 0.484 | C | S | . | . | trans | -173.8 | 73.1 | -179.2 | 177.4 | 0 | 0 | 0 | 0 | 107 | D1218 | C393-D1218 HydrophobicContact CB-CB 3.69Å; C393-D1218 WeakPolarHBondContact CB-OD1 3.5Å | ||
| 394 | N | 26.8 | Very low | 27.5 | Very low | 152 Ų | 152 | 89.5 Ų | 89.5 | 81% | 0.813 | 50% | 0.498 | S | S | * | . | trans | -155.9 | 55.2 | 174 | -103 | -33 | 0 | 0 | 0 | 107.9 | ||||
| 395 | Y | 27 | Very low | 27.3 | Very low | 228 Ų | 228 | 90 Ų | 90 | 89% | 0.894 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -170.3 | 161.6 | 162.6 | -100.9 | -66 | 0 | 0 | 0 | 108.2 | ||
| 396 | I | 31.6 | Very low | 27.4 | Very low | 123 Ų | 123 | 95.6 Ų | 95.6 | 63% | 0.631 | 53% | 0.527 | S | S | * | . | trans | 64.6 | 74.8 | -171.4 | -37.3 | 177 | 0 | 0 | 0 | 112.6 | M1243 | I396-M1243 HydrophobicContact CG2-CE 4.03Å; I396-M1243 HydrophobicContact CG2-CG 4.05Å; I396-M1243 HydrophobicContact CG2-SD 4.41Å; I396-M1243 WeakPolarHBondContact O-CG 3.3Å | ||
| 397 | D | 26.8 | Very low | 27.3 | Very low | 117 Ų | 117 | 97.3 Ų | 97.3 | 63% | 0.626 | 54% | 0.542 | S | S | * | . | trans | -111 | 76.3 | 139.8 | -141.3 | 4 | 0 | 0 | 0 | 105.2 | ||||
| 398 | D | 27 | Very low | 27.2 | Very low | 127 Ų | 127 | 105.6 Ų | 105.6 | 68% | 0.679 | 59% | 0.585 | S | S | * | * | trans | -165 | 162.5 | 177.9 | -125 | -30.2 | 0 | 0 | 0 | 111.7 | M1243 | D398-M1243 WeakPolarHBondContact O-CE 3.45Š| ||
| 399 | C | 26.7 | Very low | 27.2 | Very low | 107 Ų | 107 | 110.9 Ų | 110.9 | 72% | 0.723 | 62% | 0.616 | S | S | * | * | trans | 69.2 | 68.4 | -175.5 | -70.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 400 | G | 24.1 | Very low | 27.2 | Very low | 52 Ų | 52 | 117.5 Ų | 117.5 | 54% | 0.536 | 65% | 0.647 | S | S | . | * | trans | -82.7 | 159.5 | 134.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 401 | L | 24.5 | Very low | 27.6 | Very low | 148 Ų | 148 | 125.1 Ų | 125.1 | 78% | 0.775 | 68% | 0.676 | S | S | * | * | trans | 85.1 | 166.4 | -176.7 | -57.6 | 163.2 | 0 | 0 | 0 | 115.8 | ||||
| 402 | F | 26.5 | Very low | 28.5 | Very low | 179 Ų | 179 | 127.5 Ų | 127.5 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | trans | 72.7 | 86.2 | 174.1 | -52.7 | -67.8 | 0 | 0 | 0 | 118.9 | ||||
| 403 | S | 24.5 | Very low | 29.8 | Very low | 82 Ų | 82 | 121 Ų | 121 | 57% | 0.573 | 66% | 0.658 | S | S | * | * | 34.6 | 117.1 | 122.6 | 54.2 | 0 | 0 | 0 | 0 | 119.6 | T405 | S403-T405 PolarHBondContact O-N 3.03Š| |||
| 404 | S | 26.5 | Very low | 31.5 | Very low | 134 Ų | 134 | 123 Ų | 123 | 94% | 0.937 | 66% | 0.664 | S | S | * | * | trans | -73.7 | 60.3 | 161.6 | 63.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 405 | T | 24.4 | Very low | 33.2 | Very low | 100 Ų | 100 | 119.6 Ų | 119.6 | 61% | 0.613 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -97.4 | 111.9 | 153.5 | 42.6 | 0 | 0 | 0 | 0 | 107.5 | S403 | S403-T405 PolarHBondContact O-N 3.03Š|
| 406 | N | 27.1 | Very low | 35 | Very low | 166 Ų | 166 | 109.4 Ų | 109.4 | 89% | 0.888 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 29.9 | 88.4 | 165.1 | -61.8 | 6 | 0 | 0 | 0 | 117.9 | ||
| 407 | T | 27.4 | Very low | 37 | Very low | 121 Ų | 121 | 104.2 Ų | 104.2 | 74% | 0.742 | 58% | 0.584 | S | S | * | * | trans | -133.6 | 135.3 | 145.1 | 41.8 | 0 | 0 | 0 | 0 | 108.8 | V409 | T407-V409 VanDerWaalsContact C-N 3.32Å; T407-V409 PolarHBondContact O-N 3.01Å; T407-V409 VanDerWaalsContact O-N 3.08Å | ||
| 408 | L | 25.8 | Very low | 38.9 | Very low | 173 Ų | 173 | 102.4 Ų | 102.4 | 91% | 0.906 | 57% | 0.571 | S | S | * | * | trans | -75.1 | 93.3 | 162.9 | -78.8 | 84.9 | 0 | 0 | 0 | 106.6 | E410 | L408-E410 PolarHBondContact O-N 3.03Å; L408-E410 VanDerWaalsContact O-N 3.07Å | ||
| 409 | V | 29.9 | Very low | 40.8 | Very low | 124 Ų | 124 | 97.9 Ų | 97.9 | 75% | 0.752 | 55% | 0.548 | S | S | * | . | trans | -67.3 | 106.6 | 165.1 | 179.2 | 0 | 0 | 0 | 0 | 106.6 | T407 R411 | T407-V409 VanDerWaalsContact C-N 3.32Å; T407-V409 PolarHBondContact O-N 3.01Å; T407-V409 VanDerWaalsContact O-N 3.08Å; V409-R411 PolarHBondContact O-N 3.09Å | ||
| 410 | E | 29.7 | Very low | 42.2 | Very low | 140 Ų | 140 | 93.9 Ų | 93.9 | 65% | 0.654 | 52% | 0.519 | S | S | * | . | trans | -60.3 | 112 | 179.5 | -65 | -165.2 | 95.7 | 0 | 0 | 110 | R320 L408 T412 | R320-E410 IonicContact NH1-OE1 3.64Å; R320-E410 PolarHBondContact NH1-OE1 3.44Å; L408-E410 PolarHBondContact O-N 3.03Å; L408-E410 VanDerWaalsContact O-N 3.07Å; E410-T412 PolarHBondContact O-N 3.12Å | ||
| 411 | R | 40.5 | Very low | 43.2 | Very low | 161 Ų | 161 | 93.7 Ų | 93.7 | 61% | 0.608 | 51% | 0.509 | S | S | * | . | trans | -65.6 | 107.2 | 165.9 | -69.6 | -176.7 | 179.5 | 178 | 0.6 | 107 | T370 V409 | T370-R411 PolarHBondContact O-NH1 2.88Å; V409-R411 PolarHBondContact O-N 3.09Å | ||
| 412 | T | 47.8 | Very low | 44.4 | Very low | 61 Ų | 61 | 86.9 Ų | 86.9 | 37% | 0.374 | 47% | 0.473 | S | S | . | . | trans | -60.8 | 131.2 | 172.4 | 53.3 | 0 | 0 | 0 | 0 | 108.6 | Y324 E410 E414 T415 | Y324-T412 HydrophobicContact CE1-CG2 4.48Å; E410-T412 PolarHBondContact O-N 3.12Å; T412-E414 PolarHBondContact O-N 2.98Å; T412-T415 WeakPolarHBondContact O-CB 3.36Å; T412-T415 PolarHBondContact O-N 3.09Å; T412-T415 PolarHBondContact O-OG1 3.46Å | ||
| 413 | P | 55 | Low | 45.4 | Very low | 16 Ų | 16 | 79.7 Ų | 79.7 | 10% | 0.104 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -46.3 | -32 | -179.7 | -35.8 | 37 | 0 | 0 | 0 | 115.6 | Y324 T415 S416 W417 | Y324-P413 HydrophobicContact CD2-CB 4.2Å; Y324-P413 HydrophobicContact CD2-CG 4.34Å; Y324-P413 HydrophobicContact CE2-CB 3.96Å; Y324-P413 HydrophobicContact CE2-CG 3.62Å; Y324-P413 WeakPolarHBondContact OH-CD 3.05Å; P413-T415 VanDerWaalsContact C-N 3.26Å; P413-T415 PolarHBondContact O-N 3.36Å; P413-S416 PolarHBondContact O-N 3.21Å; P413-S416 VanDerWaalsContact O-N 3.15Å; P413-W417 VanDerWaalsContact O-CD1 3.23Å |
| 414 | E | 62.3 | Low | 46.5 | Very low | 73 Ų | 73 | 76.1 Ų | 76.1 | 34% | 0.341 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -52.6 | -40.1 | 171.6 | -66.4 | -174.8 | 166.2 | 0 | 0 | 113.4 | Y324 T325 T412 S416 W417 | Y324-E414 VanDerWaalsContact CA-OE1 3.25Å; Y324-E414 WeakPolarHBondContact CA-OE1 3.39Å; Y324-E414 WeakPolarHBondContact CB-OE1 3.46Å; Y324-E414 HydrophobicContact CD1-CG 3.74Å; Y324-E414 HydrophobicContact CG-CG 3.9Å; T325-E414 PolarHBondContact N-OE1 2.93Å; T412-E414 PolarHBondContact O-N 2.98Å; E414-S416 PolarHBondContact O-N 3.29Å; E414-W417 PolarHBondContact O-N 3.44Å |
| 415 | T | 61.1 | Low | 47.5 | Very low | 79 Ų | 79 | 72 Ų | 72 | 49% | 0.485 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -66.3 | -20.9 | -178 | 61.1 | 0 | 0 | 0 | 0 | 113.5 | T412 P413 H418 | T412-T415 WeakPolarHBondContact O-CB 3.36Å; T412-T415 PolarHBondContact O-N 3.09Å; T412-T415 PolarHBondContact O-OG1 3.46Å; P413-T415 VanDerWaalsContact C-N 3.26Å; P413-T415 PolarHBondContact O-N 3.36Å; T415-H418 PolarHBondContact O-CE1 3.5Å |
| 416 | S | 66.4 | Low | 48.5 | Very low | 14 Ų | 14 | 68.2 Ų | 68.2 | 10% | 0.098 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -80.2 | -16.3 | 172.8 | -83.1 | 0 | 0 | 0 | 0 | 113.4 | Y368 C369 P413 E414 | Y368-S416 CarbonylContact C-O 3.57Å; Y368-S416 VanDerWaalsContact CA-O 3.29Å; Y368-S416 WeakPolarHBondContact CA-O 3.35Å; Y368-S416 VanDerWaalsContact CD2-CB 3.49Å; C369-S416 PolarHBondContact N-O 3.35Å; C369-S416 VanDerWaalsContact O-CB 3.22Å; C369-S416 WeakPolarHBondContact O-CB 3.18Å; C369-S416 PolarHBondContact O-OG 3.02Å; P413-S416 PolarHBondContact O-N 3.21Å; P413-S416 VanDerWaalsContact O-N 3.15Å; E414-S416 PolarHBondContact O-N 3.29Å |
| 417 | W | 72.6 | Confident | 49 | Very low | 15 Ų | 15 | 63.2 Ų | 63.2 | 6% | 0.057 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 119.2 | 178.8 | -70 | 96.8 | 0 | 0 | 0 | 111.8 | A299 L326 Y347 L354 W366 Y368 P413 E414 | A299-W417 HydrophobicContact CB-CH2 3.98Å; A299-W417 HydrophobicContact CB-CZ2 4.07Å; L326-W417 HydrophobicContact CD1-CB 4.37Å; L326-W417 HydrophobicContact CD1-CD2 3.9Å; L326-W417 HydrophobicContact CD1-CE3 4.12Å; L326-W417 HydrophobicContact CD1-CG 4.03Å; L326-W417 HydrophobicContact CD2-CB 3.54Å; L326-W417 HydrophobicContact CD2-CG 3.84Å; Y347-W417 AromaticContact CD2-CH2 3.94Å; Y347-W417 HydrophobicContact CD2-CH2 3.94Å; Y347-W417 HydrophobicContact CD2-CZ3 4.48Å; Y347-W417 AromaticContact CE2-CH2 3.6Å; Y347-W417 HydrophobicContact CE2-CH2 3.6Å; Y347-W417 HydrophobicContact CE2-CZ3 4.2Å; L354-W417 HydrophobicContact CB-CE3 4.34Å; L354-W417 HydrophobicContact CB-CH2 3.91Å; L354-W417 HydrophobicContact CB-CZ3 3.5Å; L354-W417 VanDerWaalsContact CB-CZ3 3.5Å; W366-W417 HydrophobicContact CB-CE3 3.83Å; W366-W417 HydrophobicContact CB-CZ3 4.5Å; Y368-W417 AromaticContact CD2-CD1 3.85Å; Y368-W417 AromaticContact CD2-CD2 3.97Å; Y368-W417 HydrophobicContact CD2-CD2 3.97Å; Y368-W417 AromaticContact CD2-CE2 3.65Å; Y368-W417 HydrophobicContact CD2-CG 4.1Å; Y368-W417 HydrophobicContact CD2-CZ2 4.16Å; Y368-W417 AromaticContact CD2-NE1 3.55Å; Y368-W417 HydrophobicContact CG-CD2 4.36Å; Y368-W417 HydrophobicContact CG-CZ2 4.32Å; P413-W417 VanDerWaalsContact O-CD1 3.23Å; E414-W417 PolarHBondContact O-N 3.44Å |
| 418 | H | 66.3 | Low | 49.6 | Very low | 79 Ų | 79 | 64 Ų | 64 | 37% | 0.366 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 113.3 | -178.1 | -60.9 | -20.7 | 0 | 0 | 0 | 111.1 | W366 Q367 T415 Q420 | W366-H418 WeakPolarHBondContact CA-O 3.48Å; Q367-H418 PolarHBondContact N-O 3.28Å; Q367-H418 PolarHBondContact O-N 2.92Å; T415-H418 PolarHBondContact O-CE1 3.5Å; H418-Q420 PolarHBondContact O-N 3.35Å; H418-Q420 PolarHBondContact O-NE2 2.84Å |
| 419 | P | 67.6 | Low | 50.1 | Low | 31 Ų | 31 | 62.5 Ų | 62.5 | 20% | 0.201 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 131.8 | 177.9 | 26.9 | -33.4 | 0 | 0 | 0 | 110.8 | N329 N385 | N329-P419 HydrophobicContact CB-CB 3.76Å; N329-P419 HydrophobicContact CB-CG 4.15Å; N385-P419 PolarHBondContact ND2-O 2.87Å |
| 420 | Q | 56.9 | Low | 50.4 | Low | 23 Ų | 23 | 60.2 Ų | 60.2 | 11% | 0.107 | 30% | 0.299 | C | S | . | . | trans | -82.1 | 141.3 | 179.7 | -61.1 | -63.2 | -57.7 | 0 | 0 | 110.1 | F365 Q367 H418 S422 | F365-Q420 HydrophobicContact CB-CB 4.16Å; F365-Q420 HydrophobicContact CB-CG 4.24Å; F365-Q420 PolarHBondContact O-N 3.05Å; Q367-Q420 HydrophobicContact CB-CG 4.45Å; H418-Q420 PolarHBondContact O-N 3.35Å; H418-Q420 PolarHBondContact O-NE2 2.84Å; Q420-S422 PolarHBondContact O-N 3.31Å | ||
| 421 | P | 45 | Very low | 50.5 | Low | 49 Ų | 49 | 62.3 Ų | 62.3 | 32% | 0.318 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -74.7 | 48.1 | -178.5 | 29.1 | -34.4 | 0 | 0 | 0 | 112.8 | M1 | M1-P421 CarbonylContact O-C 3.16Š|
| 422 | S | 49.5 | Very low | 50.1 | Low | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.028 | 32% | 0.317 | C | S | . | . | trans | -147.3 | 94.6 | -161.2 | -78.6 | 0 | 0 | 0 | 0 | 109.8 | M1 S2 V3 F365 Q420 | M1-S422 PolarHBondContact O-OG 2.88Å; S2-S422 WeakPolarHBondContact CA-OG 3.36Å; V3-S422 VanDerWaalsContact CG2-CB 3.49Å; V3-S422 PolarHBondContact N-OG 2.69Å; F365-S422 WeakPolarHBondContact CD2-O 3.46Å; Q420-S422 PolarHBondContact O-N 3.31Å | ||
| 423 | T | 47.4 | Very low | 49.3 | Very low | 28 Ų | 28 | 63.4 Ų | 63.4 | 17% | 0.172 | 32% | 0.319 | C | S | . | . | trans | -127.5 | 128.1 | -171.4 | 51.9 | 0 | 0 | 0 | 0 | 106.6 | M330 M1175 M1179 | M330-T423 HydrophobicContact CE-CG2 3.16Å; T423-M1175 VanDerWaalsContact OG1-CE 3.3Å; T423-M1175 WeakPolarHBondContact OG1-CE 3.04Å; T423-M1179 HydrophobicContact CG2-CG 4.3Å; T423-M1179 HydrophobicContact CG2-SD 3.8Å; T423-M1179 PolarHBondContact OG1-SD 3.42Å | ||
| 424 | L | 48.1 | Very low | 48 | Very low | 8 Ų | 8 | 67.9 Ų | 67.9 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -120.4 | 101.8 | -156.8 | -169.5 | 128.6 | 0 | 0 | 0 | 113.4 | V3 L5 M362 L426 L483 | V3-L424 HydrophobicContact CG1-CD1 3.8Å; L5-L424 HydrophobicContact CD1-CD2 4.13Å; L5-L424 HydrophobicContact CD2-CD2 4.06Å; L5-L424 HydrophobicContact CG-CD1 4.15Å; L5-L424 HydrophobicContact CG-CD2 3.9Å; L5-L424 HydrophobicContact CG-CG 4.39Å; M362-L424 VanDerWaalsContact CE-C 3.42Å; M362-L424 WeakPolarHBondContact CE-O 3.06Å; L424-L426 HydrophobicContact CD2-CD1 3.9Å; L424-L426 HydrophobicContact CD2-CG 4.05Å; L424-L483 HydrophobicContact CD1-CD1 4.01Å; L424-L483 HydrophobicContact CD1-CD2 3.52Å; L424-L483 HydrophobicContact CD1-CG 4.31Å; L424-L483 HydrophobicContact CD2-CD1 4.11Å; L424-L483 HydrophobicContact CD2-CD2 3.6Å; L424-L483 HydrophobicContact CG-CD1 4.45Å; L424-L483 HydrophobicContact CG-CD2 4.17Å |
| 425 | W | 47.6 | Very low | 46.5 | Very low | 46 Ų | 46 | 70.8 Ų | 70.8 | 17% | 0.174 | 37% | 0.373 | C | S | . | . | trans | -77.8 | 142.1 | 169 | -100.9 | 91.3 | 0 | 0 | 0 | 113.7 | M362 N427 P1174 M1175 K1178 | M362-W425 HydrophobicContact CG-CD2 4.39Å; M362-W425 WeakPolarHBondContact SD-CA 3.44Å; M362-W425 HydrophobicContact SD-CB 3.9Å; M362-W425 HydrophobicContact SD-CD2 3.68Å; M362-W425 HydrophobicContact SD-CG 3.36Å; M362-W425 PolarHBondContact SD-N 3.33Å; M362-W425 VanDerWaalsContact SD-N 3.36Å; M362-W425 PolarHBondContact SD-NE1 2.8Å; W425-N427 WeakPolarHBondContact CB-OD1 3.36Å; W425-N427 VanDerWaalsContact CD2-OD1 3.22Å; W425-N427 VanDerWaalsContact CG-OD1 3.32Å; W425-P1174 VanDerWaalsContact CD1-O 3.24Å; W425-P1174 HydrophobicContact CD2-CB 3.89Å; W425-P1174 HydrophobicContact CD2-CG 4.18Å; W425-P1174 HydrophobicContact CE3-CB 3.95Å; W425-P1174 HydrophobicContact CE3-CG 4.2Å; W425-P1174 HydrophobicContact CH2-CB 3.91Å; W425-P1174 HydrophobicContact CZ2-CB 3.87Å; W425-P1174 WeakPolarHBondContact CZ2-O 3.02Å; W425-P1174 HydrophobicContact CZ3-CB 3.95Å; W425-P1174 PolarHBondContact NE1-O 3.22Å; W425-M1175 HydrophobicContact CB-CB 4.47Å; W425-M1175 HydrophobicContact CB-SD 4.45Å; W425-M1175 VanDerWaalsContact CD1-SD 3.58Å; W425-M1175 HydrophobicContact CG-CB 4.3Å; W425-M1175 HydrophobicContact CG-SD 4.48Å; W425-K1178 VanDerWaalsContact CE2-CB 3.45Å; W425-K1178 HydrophobicContact CZ2-CB 3.59Å | ||
| 426 | L | 44.9 | Very low | 45 | Very low | 22 Ų | 22 | 70.2 Ų | 70.2 | 12% | 0.115 | 37% | 0.373 | C | S | . | . | trans | -107 | 90.4 | 167.4 | -68.4 | 122.9 | 0 | 0 | 0 | 107.1 | L5 G361 L424 L459 Y481 | L5-L426 HydrophobicContact CD1-CD2 4.1Å; L5-L426 HydrophobicContact CD1-CG 4.4Å; L5-L426 HydrophobicContact CD2-CD2 3.78Å; G361-L426 WeakPolarHBondContact O-CD1 3.37Å; L424-L426 HydrophobicContact CD2-CD1 3.9Å; L424-L426 HydrophobicContact CD2-CG 4.05Å; L426-L459 HydrophobicContact CB-CD1 3.78Å; L426-L459 HydrophobicContact CD1-CD1 4.06Å; L426-L459 HydrophobicContact CD1-CD2 4.22Å; L426-L459 HydrophobicContact CD1-CG 4.44Å; L426-L459 HydrophobicContact CD2-CD1 3.99Å; L426-L459 HydrophobicContact CG-CD1 4.14Å; L426-Y481 HydrophobicContact CD2-CD1 3.73Å; L426-Y481 HydrophobicContact CD2-CD2 3.49Å; L426-Y481 VanDerWaalsContact CD2-CD2 3.49Å; L426-Y481 HydrophobicContact CD2-CE1 3.74Å; L426-Y481 HydrophobicContact CD2-CE2 3.56Å; L426-Y481 HydrophobicContact CD2-CG 3.57Å | ||
| 427 | N | 36.7 | Very low | 43.5 | Very low | 61 Ų | 61 | 79.4 Ų | 79.4 | 33% | 0.326 | 41% | 0.414 | S | S | . | . | trans | -101.8 | 130.2 | -171.4 | -67.9 | -20.3 | 0 | 0 | 0 | 112.6 | W425 E429 P1174 | W425-N427 WeakPolarHBondContact CB-OD1 3.36Å; W425-N427 VanDerWaalsContact CD2-OD1 3.22Å; W425-N427 VanDerWaalsContact CG-OD1 3.32Å; N427-E429 PolarHBondContact O-N 3.23Å; N427-P1174 HydrophobicContact CB-CG 4.24Å; N427-P1174 VanDerWaalsContact ND2-CG 3.31Å; N427-P1174 WeakPolarHBondContact ND2-CG 3.22Å; N427-P1174 WeakPolarHBondContact OD1-CG 2.99Å | ||
| 428 | E | 41 | Very low | 41.8 | Very low | 138 Ų | 138 | 85.2 Ų | 85.2 | 65% | 0.645 | 45% | 0.446 | S | S | * | . | S | Bend | trans | 30.2 | -23.1 | 132.9 | -59.3 | -177.9 | 178.1 | 0 | 0 | 122.7 | D430 N1172 | E428-D430 VanDerWaalsContact C-N 3.35Å; E428-N1172 PolarHBondContact OE2-ND2 3.42Å |
| 429 | E | 36.6 | Very low | 40.5 | Very low | 140 Ų | 140 | 85.2 Ų | 85.2 | 65% | 0.654 | 45% | 0.448 | S | S | * | . | trans | -81.5 | -3.4 | 177.7 | -71.2 | -164.2 | -178.5 | 0 | 0 | 114.4 | N427 E431 R882 | N427-E429 PolarHBondContact O-N 3.23Å; E429-E431 PolarHBondContact O-N 3.33Å; E429-E431 VanDerWaalsContact O-N 3.17Å; E429-R882 IonicContact OE1-NH2 3.69Å; E429-R882 IonicContact OE2-CZ 3.79Å; E429-R882 IonicContact OE2-NH1 3.53Å; E429-R882 IonicContact OE2-NH2 3.45Å; E429-R882 PolarHBondContact OE2-NH2 3.15Å | ||
| 430 | D | 34.5 | Very low | 39.6 | Very low | 77 Ų | 77 | 88 Ų | 88 | 41% | 0.412 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -75.3 | 94.9 | 167.4 | -95.8 | -43.2 | 0 | 0 | 0 | 109.3 | K8 E428 L432 Y481 | K8-D430 IonicContact NZ-OD1 3.71Å; K8-D430 PolarHBondContact NZ-OD1 2.95Å; K8-D430 VanDerWaalsContact NZ-OD1 3.12Å; K8-D430 IonicContact NZ-OD2 3.13Å; K8-D430 PolarHBondContact NZ-OD2 3Å; E428-D430 VanDerWaalsContact C-N 3.35Å; D430-L432 PolarHBondContact O-N 3.32Å; D430-Y481 PolarHBondContact OD2-OH 2.97Å |
| 431 | E | 32.7 | Very low | 39.3 | Very low | 184 Ų | 184 | 88.3 Ų | 88.3 | 86% | 0.86 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 22.7 | -168.6 | -59.8 | -171.3 | 119.6 | 0 | 0 | 117.7 | E429 | E429-E431 PolarHBondContact O-N 3.33Å; E429-E431 VanDerWaalsContact O-N 3.17Å |
| 432 | L | 32.9 | Very low | 39.8 | Very low | 150 Ų | 150 | 87.9 Ų | 87.9 | 79% | 0.785 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.8 | 8.9 | -174.8 | -93.9 | 165.3 | 0 | 0 | 0 | 115.6 | D430 | D430-L432 PolarHBondContact O-N 3.32Š|
| 433 | F | 29.6 | Very low | 40.3 | Very low | 95 Ų | 95 | 87.7 Ų | 87.7 | 42% | 0.417 | 45% | 0.454 | S | S | . | . | trans | -121.7 | 14.9 | 179.6 | -73.9 | -80.7 | 0 | 0 | 0 | 115 | I11 V435 K477 | I11-F433 HydrophobicContact CD1-CE2 4.06Å; I11-F433 HydrophobicContact CD1-CZ 4.22Å; F433-V435 PolarHBondContact O-N 3.35Å; F433-K477 HydrophobicContact CE1-CB 4.47Å; F433-K477 HydrophobicContact CE1-CD 4.31Å; F433-K477 HydrophobicContact CZ-CD 4.4Å | ||
| 434 | S | 29 | Very low | 41.2 | Very low | 110 Ų | 110 | 88.8 Ų | 88.8 | 77% | 0.769 | 46% | 0.457 | S | S | * | . | trans | -71 | 29.9 | -173.2 | 48.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 435 | V | 31 | Very low | 42.3 | Very low | 134 Ų | 134 | 89.9 Ų | 89.9 | 81% | 0.812 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -137.9 | 47.7 | 179.9 | -160.3 | 0 | 0 | 0 | 0 | 112.9 | F433 | F433-V435 PolarHBondContact O-N 3.35Š|
| 436 | S | 29.7 | Very low | 43.9 | Very low | 67 Ų | 67 | 88.7 Ų | 88.7 | 47% | 0.469 | 46% | 0.46 | S | S | . | . | trans | 178.3 | 124.9 | 145.6 | 40.2 | 0 | 0 | 0 | 0 | 111.7 | D438 L439 | S436-D438 PolarHBondContact O-N 2.91Å; S436-L439 WeakPolarHBondContact OG-CD1 3.47Å | ||
| 437 | E | 34.4 | Very low | 45.5 | Very low | 207 Ų | 207 | 88.1 Ų | 88.1 | 97% | 0.967 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 6.7 | -172 | -61.1 | 177.6 | 118.3 | 0 | 0 | 114.8 | ||
| 438 | D | 36.6 | Very low | 47.6 | Very low | 137 Ų | 137 | 86.5 Ų | 86.5 | 73% | 0.733 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | -3 | -173 | -85.1 | -47.1 | 0 | 0 | 0 | 115 | S436 K440 | S436-D438 PolarHBondContact O-N 2.91Å; D438-K440 PolarHBondContact O-N 3.17Å |
| 439 | L | 39 | Very low | 49.4 | Very low | 78 Ų | 78 | 80.1 Ų | 80.1 | 41% | 0.408 | 42% | 0.418 | S | S | . | . | trans | -80.2 | 80.1 | -169.1 | -66.3 | 178.7 | 0 | 0 | 0 | 114 | S436 S441 P461 | S436-L439 WeakPolarHBondContact OG-CD1 3.47Å; L439-S441 PolarHBondContact O-N 3.25Å; L439-P461 HydrophobicContact CD2-CB 4.26Å | ||
| 440 | K | 48.1 | Very low | 50.7 | Low | 91 Ų | 91 | 77.5 Ų | 77.5 | 40% | 0.396 | 41% | 0.414 | S | S | . | . | trans | -54 | 129.9 | 159.8 | -67.3 | 178.7 | -179.2 | 174.5 | 0 | 108.9 | D339 D438 H462 | D339-K440 IonicContact OD2-NZ 2.7Å; D339-K440 PolarHBondContact OD2-NZ 2.89Å; D438-K440 PolarHBondContact O-N 3.17Å; K440-H462 HydrophobicContact CB-CB 3.92Å; K440-H462 WeakPolarHBondContact O-CA 3.35Å; K440-H462 WeakPolarHBondContact O-CB 3.42Å; K440-H462 PolarHBondContact O-N 3.12Å | ||
| 441 | S | 51.6 | Low | 52.2 | Low | 28 Ų | 28 | 79.1 Ų | 79.1 | 20% | 0.196 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 145.8 | 167.4 | 52.2 | 0 | 0 | 0 | 0 | 110.3 | N360 G361 L439 | N360-S441 CarbonylContact C-O 3.58Å; N360-S441 WeakPolarHBondContact CA-O 3.39Å; N360-S441 PolarHBondContact O-OG 2.74Å; G361-S441 PolarHBondContact N-O 2.69Å; G361-S441 VanDerWaalsContact N-O 3.16Å; L439-S441 PolarHBondContact O-N 3.25Å |
| 442 | H | 55.8 | Low | 53.6 | Low | 41 Ų | 41 | 75.8 Ų | 75.8 | 19% | 0.19 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.8 | 170.7 | -79.1 | -49.5 | 0 | 0 | 0 | 109.8 | I343 N359 H444 L459 V460 H462 | I343-H442 HydrophobicContact CD1-CB 4.5Å; N359-H442 VanDerWaalsContact CA-ND1 3.28Å; N359-H442 WeakPolarHBondContact CA-ND1 3.36Å; N359-H442 WeakPolarHBondContact CB-ND1 3.42Å; N359-H442 PolarHBondContact O-CE1 2.9Å; N359-H442 VanDerWaalsContact O-CE1 3.22Å; N359-H442 PolarHBondContact O-ND1 2.82Å; N359-H442 VanDerWaalsContact O-ND1 3.13Å; H442-H444 PolarHBondContact O-N 2.79Å; H442-L459 WeakPolarHBondContact O-CA 3.35Å; H442-V460 PolarHBondContact N-O 3Å; H442-V460 PolarHBondContact O-N 3.14Å; H442-H462 AromaticContact CD2-CD2 3.79Å; H442-H462 AromaticContact CD2-CG 3.71Å; H442-H462 AromaticContact CE1-CD2 3.68Å; H442-H462 AromaticContact NE2-CD2 2.94Å; H442-H462 PolarHBondContact NE2-CD2 3.35Å; H442-H462 AromaticContact NE2-CE1 3.95Å; H442-H462 AromaticContact NE2-CG 3.31Å; H442-H462 VanDerWaalsContact NE2-CG 3.31Å; H442-H462 AromaticContact NE2-ND1 3.93Å; H442-H462 AromaticContact NE2-NE2 3.38Å; H442-H462 PolarHBondContact NE2-NE2 2.92Å |
| 443 | S | 59.3 | Low | 55.1 | Low | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 107.9 | 169.2 | 58.8 | 0 | 0 | 0 | 0 | 109.1 | I343 S357 F358 T458 | I343-S443 WeakPolarHBondContact CD1-O 3.39Å; S357-S443 WeakPolarHBondContact CB-OG 3.46Å; S357-S443 PolarHBondContact OG-OG 2.94Å; F358-S443 PolarHBondContact N-OG 3.14Å; F358-S443 VanDerWaalsContact N-OG 3.14Å; F358-S443 PolarHBondContact O-OG 3.14Å; S443-T458 VanDerWaalsContact CA-O 3.22Å; S443-T458 WeakPolarHBondContact CA-O 3.15Å |
| 444 | H | 66.3 | Low | 57.2 | Low | 51 Ų | 51 | 68.4 Ų | 68.4 | 24% | 0.236 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -26.6 | -167.7 | -172.4 | -92.4 | 0 | 0 | 0 | 113.5 | K15 I16 N344 H442 T458 V460 | K15-H444 WeakPolarHBondContact CE-NE2 3.22Å; K15-H444 PolarHBondContact NZ-CE1 3.32Å; K15-H444 PolarHBondContact NZ-NE2 3.06Å; I16-H444 PolarHBondContact O-CE1 3.11Å; I16-H444 PolarHBondContact O-ND1 3.06Å; N344-H444 PolarHBondContact ND2-O 2.92Å; H442-H444 PolarHBondContact O-N 2.79Å; H444-T458 WeakPolarHBondContact CA-OG1 3.41Å; H444-T458 WeakPolarHBondContact CB-OG1 3.4Å; H444-T458 PolarHBondContact N-O 3.4Å; H444-T458 PolarHBondContact N-OG1 3.17Å; H444-V460 HydrophobicContact CB-CB 4.44Å; H444-V460 HydrophobicContact CB-CG2 3.6Å |
| 445 | L | 72.1 | Confident | 59.6 | Low | 31 Ų | 31 | 63.3 Ų | 63.3 | 16% | 0.162 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 147.7 | -177.4 | -63 | 170 | 0 | 0 | 0 | 110.1 | I16 I19 N344 T458 | I16-L445 HydrophobicContact CG2-CD1 3.96Å; I19-L445 HydrophobicContact CB-CD1 4.19Å; I19-L445 HydrophobicContact CG1-CD1 4.02Å; N344-L445 WeakPolarHBondContact ND2-CA 3.39Å; N344-L445 PolarHBondContact ND2-N 3.35Å; L445-T458 HydrophobicContact CB-CG2 4.02Å; L445-T458 HydrophobicContact CD1-CG2 4.27Å; L445-T458 PolarHBondContact N-OG1 3.43Å; L445-T458 PolarHBondContact O-N 3.06Å; L445-T458 VanDerWaalsContact O-N 3.16Å; L445-T458 PolarHBondContact O-OG1 3.02Å |
| 446 | L | 79.6 | Confident | 62 | Low | 20 Ų | 20 | 57 Ų | 57 | 11% | 0.105 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143.9 | 165.2 | -71.5 | -174.4 | 0 | 0 | 0 | 109.8 | N344 A355 V363 L455 I457 | N344-L446 HydrophobicContact CB-CB 4.42Å; N344-L446 HydrophobicContact CB-CG 4.25Å; A355-L446 HydrophobicContact CB-CD1 4.19Å; V363-L446 HydrophobicContact CG2-CD2 3.79Å; L446-L455 HydrophobicContact CB-CD1 4.32Å; L446-L455 HydrophobicContact CD2-CD1 4.21Å; L446-L455 HydrophobicContact CD2-CD2 4.35Å; L446-L455 HydrophobicContact CD2-CG 4.44Å; L446-I457 HydrophobicContact CD2-CB 4.31Å; L446-I457 HydrophobicContact CD2-CG1 3.75Å; L446-I457 HydrophobicContact CD2-CG2 4.17Å |
| 447 | A | 80.1 | Confident | 64.3 | Low | 11 Ų | 11 | 53.8 Ų | 53.8 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 121.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | I19 W21 A456 | I19-A447 HydrophobicContact CG2-CB 3.99Å; W21-A447 PolarHBondContact NE1-O 3.35Å; A447-A456 PolarHBondContact N-O 3.35Å; A447-A456 PolarHBondContact O-N 3.01Å |
| 448 | W | 79.4 | Confident | 66.3 | Low | 26 Ų | 26 | 43.9 Ų | 43.9 | 10% | 0.098 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 140 | 167.4 | -78.2 | 100.6 | 0 | 0 | 0 | 111.3 | S346 I353 A355 F365 E453 L455 | S346-W448 VanDerWaalsContact O-CD1 3.29Å; S346-W448 PolarHBondContact O-NE1 2.69Å; I353-W448 HydrophobicContact CB-CH2 4.36Å; I353-W448 HydrophobicContact CB-CZ2 4.26Å; I353-W448 HydrophobicContact CG2-CH2 4.05Å; I353-W448 HydrophobicContact CG2-CZ2 3.82Å; A355-W448 HydrophobicContact CB-CZ2 3.88Å; F365-W448 HydrophobicContact CD1-CH2 4.16Å; F365-W448 AromaticContact CD1-CZ2 3.9Å; F365-W448 HydrophobicContact CD1-CZ2 3.9Å; F365-W448 AromaticContact CE1-CH2 3.9Å; F365-W448 HydrophobicContact CE1-CH2 3.9Å; F365-W448 AromaticContact CE1-CZ2 3.81Å; F365-W448 HydrophobicContact CE1-CZ2 3.81Å; W448-E453 HydrophobicContact CZ3-CB 4.14Å; W448-E453 VanDerWaalsContact CZ3-O 3.25Å; W448-E453 WeakPolarHBondContact CZ3-O 3.34Å; W448-L455 HydrophobicContact CD2-CB 4.14Å; W448-L455 HydrophobicContact CD2-CD1 4.01Å; W448-L455 HydrophobicContact CE3-CB 4.06Å; W448-L455 HydrophobicContact CG-CD1 3.91Å; W448-L455 HydrophobicContact CH2-CB 4.47Å; W448-L455 HydrophobicContact CZ2-CD2 4.36Å; W448-L455 HydrophobicContact CZ3-CB 4.24Å |
| 449 | D | 78.6 | Confident | 68 | Low | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | trans | -69.2 | 146.5 | 158 | 175.6 | 44.3 | 0 | 0 | 0 | 110.9 | W21 L26 Q451 Q452 K454 | W21-D449 HydrophobicContact CD2-CB 3.7Å; W21-D449 HydrophobicContact CE3-CB 3.81Å; W21-D449 HydrophobicContact CG-CB 4.22Å; W21-D449 HydrophobicContact CH2-CB 4.13Å; W21-D449 HydrophobicContact CZ2-CB 4.03Å; W21-D449 HydrophobicContact CZ3-CB 4Å; L26-D449 HydrophobicContact CD1-CB 4.24Å; L26-D449 VanDerWaalsContact CD1-OD2 3.25Å; L26-D449 WeakPolarHBondContact CD1-OD2 3.46Å; D449-Q451 PolarHBondContact OD2-N 3.47Å; D449-Q451 VanDerWaalsContact OD2-N 3.12Å; D449-Q452 PolarHBondContact OD2-N 3.18Å; D449-K454 HydrophobicContact CB-CB 4.2Å; D449-K454 PolarHBondContact N-O 2.66Å | ||
| 450 | C | 63.7 | Low | 69.4 | Low | 85 Ų | 85 | 35.1 Ų | 35.1 | 57% | 0.574 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -82 | -10.2 | -177.3 | -54.2 | 0 | 0 | 0 | 0 | 114 | ||
| 451 | Q | 66.3 | Low | 70 | Confident | 112 Ų | 112 | 32.4 Ų | 32.4 | 52% | 0.523 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -126.6 | -33.9 | -168.2 | -63 | -172.1 | 0.7 | 0 | 0 | 115.7 | D449 | D449-Q451 PolarHBondContact OD2-N 3.47Å; D449-Q451 VanDerWaalsContact OD2-N 3.12Å |
| 452 | Q | 63.6 | Low | 70.1 | Confident | 114 Ų | 114 | 34.3 Ų | 34.3 | 53% | 0.533 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -125.1 | 22.5 | -168.7 | -60.3 | -153.8 | -9.1 | 0 | 0 | 115.1 | L26 D449 K454 | L26-Q452 HydrophobicContact CD1-CB 4.2Å; L26-Q452 HydrophobicContact CD1-CG 4.33Å; D449-Q452 PolarHBondContact OD2-N 3.18Å; Q452-K454 HydrophobicContact CB-CG 4.5Å; Q452-K454 PolarHBondContact O-N 3.29Å |
| 453 | E | 63.8 | Low | 69.9 | Low | 50 Ų | 50 | 37.8 Ų | 37.8 | 23% | 0.234 | 19% | 0.191 | C | C | . | . | trans | 54.2 | 18.4 | -179.7 | -63.3 | -160.4 | 94.7 | 0 | 0 | 115.3 | Y351 I353 W448 L455 R485 | Y351-E453 HydrophobicContact CD1-CG 4.22Å; Y351-E453 HydrophobicContact CD2-CG 3.43Å; Y351-E453 VanDerWaalsContact CD2-CG 3.43Å; Y351-E453 HydrophobicContact CE1-CG 4.1Å; Y351-E453 HydrophobicContact CE2-CG 3.32Å; Y351-E453 HydrophobicContact CG-CG 3.9Å; I353-E453 WeakPolarHBondContact CD1-OE1 3.3Å; W448-E453 HydrophobicContact CZ3-CB 4.14Å; W448-E453 VanDerWaalsContact CZ3-O 3.25Å; W448-E453 WeakPolarHBondContact CZ3-O 3.34Å; E453-L455 PolarHBondContact O-N 2.91Å; E453-R485 IonicContact OE1-NH1 3.01Å; E453-R485 IonicContact OE2-NH1 3.96Å | ||
| 454 | K | 73.7 | Confident | 69.2 | Low | 40 Ų | 40 | 42.1 Ų | 42.1 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | trans | -79.2 | 107.6 | 178 | -67 | -167.5 | -175.2 | -177.5 | 0 | 110.1 | W21 L26 D449 Q452 I482 | W21-K454 HydrophobicContact CH2-CB 3.69Å; W21-K454 HydrophobicContact CH2-CD 4.33Å; W21-K454 HydrophobicContact CZ2-CB 3.85Å; W21-K454 WeakPolarHBondContact CZ2-O 3.37Å; L26-K454 HydrophobicContact CD1-CD 4.23Å; L26-K454 HydrophobicContact CD2-CD 4.19Å; D449-K454 HydrophobicContact CB-CB 4.2Å; D449-K454 PolarHBondContact N-O 2.66Å; Q452-K454 HydrophobicContact CB-CG 4.5Å; Q452-K454 PolarHBondContact O-N 3.29Å; K454-I482 HydrophobicContact CB-CG2 3.87Å; K454-I482 HydrophobicContact CD-CG2 4.16Å; K454-I482 HydrophobicContact CG-CG2 4.12Å | ||
| 455 | L | 78.7 | Confident | 68 | Low | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 115.9 | 170.7 | 179.9 | 59.8 | 0 | 0 | 0 | 110.5 | A355 V363 F365 L446 W448 E453 I457 I482 | A355-L455 HydrophobicContact CB-CD2 3.55Å; V363-L455 HydrophobicContact CG1-CD2 3.78Å; F365-L455 HydrophobicContact CE1-CD2 3.65Å; F365-L455 HydrophobicContact CZ-CD2 3.91Å; L446-L455 HydrophobicContact CB-CD1 4.32Å; L446-L455 HydrophobicContact CD2-CD1 4.21Å; L446-L455 HydrophobicContact CD2-CD2 4.35Å; L446-L455 HydrophobicContact CD2-CG 4.44Å; W448-L455 HydrophobicContact CD2-CB 4.14Å; W448-L455 HydrophobicContact CD2-CD1 4.01Å; W448-L455 HydrophobicContact CE3-CB 4.06Å; W448-L455 HydrophobicContact CG-CD1 3.91Å; W448-L455 HydrophobicContact CH2-CB 4.47Å; W448-L455 HydrophobicContact CZ2-CD2 4.36Å; W448-L455 HydrophobicContact CZ3-CB 4.24Å; E453-L455 PolarHBondContact O-N 2.91Å; L455-I457 HydrophobicContact CD2-CG1 4.41Å; L455-I457 HydrophobicContact CG-CG1 4.13Å; L455-I482 WeakPolarHBondContact O-CA 3.44Å |
| 456 | A | 80.9 | Confident | 66.3 | Low | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 132.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | W21 L28 A447 Y481 | W21-A456 HydrophobicContact CZ2-CB 3.93Å; L28-A456 HydrophobicContact CD1-CB 4.19Å; L28-A456 HydrophobicContact CD2-CB 3.67Å; A447-A456 PolarHBondContact N-O 3.35Å; A447-A456 PolarHBondContact O-N 3.01Å; A456-Y481 WeakPolarHBondContact CA-O 3.32Å |
| 457 | I | 78.5 | Confident | 64 | Low | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 129.6 | -177.8 | -52.7 | 165.3 | 0 | 0 | 0 | 109.3 | V363 L446 L455 V480 Y481 L483 | V363-I457 HydrophobicContact CB-CD1 4.2Å; V363-I457 HydrophobicContact CG2-CD1 3.47Å; V363-I457 VanDerWaalsContact CG2-CD1 3.47Å; V363-I457 HydrophobicContact CG2-CG1 3.92Å; V363-I457 HydrophobicContact CG2-CG2 4.16Å; L446-I457 HydrophobicContact CD2-CB 4.31Å; L446-I457 HydrophobicContact CD2-CG1 3.75Å; L446-I457 HydrophobicContact CD2-CG2 4.17Å; L455-I457 HydrophobicContact CD2-CG1 4.41Å; L455-I457 HydrophobicContact CG-CG1 4.13Å; I457-V480 VanDerWaalsContact O-CA 3.28Å; I457-V480 WeakPolarHBondContact O-CA 3.48Å; I457-Y481 PolarHBondContact N-O 2.96Å; I457-Y481 PolarHBondContact O-N 3.48Å; I457-L483 HydrophobicContact CD1-CD1 3.39Å; I457-L483 HydrophobicContact CD1-CD2 4.26Å; I457-L483 HydrophobicContact CD1-CG 3.81Å |
| 458 | T | 77 | Confident | 61.6 | Low | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 141.2 | 167.2 | 56.1 | 0 | 0 | 0 | 0 | 111.4 | I16 I19 S443 H444 L445 S479 V480 | I16-T458 HydrophobicContact CB-CG2 4.1Å; I16-T458 HydrophobicContact CD1-CG2 3.72Å; I16-T458 HydrophobicContact CG2-CG2 3.75Å; I19-T458 HydrophobicContact CD1-CG2 3.23Å; I19-T458 HydrophobicContact CG1-CG2 3.91Å; S443-T458 VanDerWaalsContact CA-O 3.22Å; S443-T458 WeakPolarHBondContact CA-O 3.15Å; H444-T458 WeakPolarHBondContact CA-OG1 3.41Å; H444-T458 WeakPolarHBondContact CB-OG1 3.4Å; H444-T458 PolarHBondContact N-O 3.4Å; H444-T458 PolarHBondContact N-OG1 3.17Å; L445-T458 HydrophobicContact CB-CG2 4.02Å; L445-T458 HydrophobicContact CD1-CG2 4.27Å; L445-T458 PolarHBondContact N-OG1 3.43Å; L445-T458 PolarHBondContact O-N 3.06Å; L445-T458 VanDerWaalsContact O-N 3.16Å; L445-T458 PolarHBondContact O-OG1 3.02Å; T458-S479 CarbonylContact C-O 3.46Å; T458-S479 WeakPolarHBondContact CA-O 3.3Å; T458-V480 HydrophobicContact CG2-CG2 4.13Å |
| 459 | L | 71.8 | Confident | 59.3 | Low | 13 Ų | 13 | 77.6 Ų | 77.6 | 7% | 0.068 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 136.9 | 161.6 | -65.9 | -170.5 | 0 | 0 | 0 | 110.9 | G361 L426 H442 S478 S479 Y481 | G361-L459 VanDerWaalsContact CA-CD2 3.45Å; G361-L459 VanDerWaalsContact O-CD2 3.28Å; G361-L459 WeakPolarHBondContact O-CD2 3.41Å; L426-L459 HydrophobicContact CB-CD1 3.78Å; L426-L459 HydrophobicContact CD1-CD1 4.06Å; L426-L459 HydrophobicContact CD1-CD2 4.22Å; L426-L459 HydrophobicContact CD1-CG 4.44Å; L426-L459 HydrophobicContact CD2-CD1 3.99Å; L426-L459 HydrophobicContact CG-CD1 4.14Å; H442-L459 WeakPolarHBondContact O-CA 3.35Å; L459-S478 CarbonylContact O-C 3.51Å; L459-S478 VanDerWaalsContact O-CA 3.22Å; L459-S478 WeakPolarHBondContact O-CA 3.14Å; L459-S478 WeakPolarHBondContact O-CB 3.47Å; L459-S479 PolarHBondContact N-O 3.28Å; L459-S479 PolarHBondContact O-N 3.05Å; L459-Y481 HydrophobicContact CD1-CD2 4.31Å; L459-Y481 HydrophobicContact CD1-CE2 3.87Å; L459-Y481 HydrophobicContact CG-CD2 4.35Å; L459-Y481 HydrophobicContact CG-CE2 4.3Å |
| 460 | V | 68.3 | Low | 57.1 | Low | 18 Ų | 18 | 85.3 Ų | 85.3 | 11% | 0.109 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127.9 | 172.5 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | K15 H442 H444 H462 | K15-V460 HydrophobicContact CG-CG1 4.39Å; H442-V460 PolarHBondContact N-O 3Å; H442-V460 PolarHBondContact O-N 3.14Å; H444-V460 HydrophobicContact CB-CB 4.44Å; H444-V460 HydrophobicContact CB-CG2 3.6Å; V460-H462 PolarHBondContact O-N 3.04Å |
| 461 | P | 61.5 | Low | 55.5 | Low | 34 Ų | 34 | 86.4 Ų | 86.4 | 22% | 0.221 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 129.5 | 175.9 | 25.8 | -33.2 | 0 | 0 | 0 | 111.4 | L439 Q463 K477 | L439-P461 HydrophobicContact CD2-CB 4.26Å; P461-Q463 PolarHBondContact O-N 3.36Å; P461-K477 WeakPolarHBondContact CD-O 3.26Å; P461-K477 WeakPolarHBondContact CG-O 3.14Å |
| 462 | H | 52.9 | Low | 54 | Low | 67 Ų | 67 | 90 Ų | 90 | 31% | 0.31 | 44% | 0.442 | S | S | . | . | trans | -74.7 | 109.2 | 179 | -171.1 | -6.9 | 0 | 0 | 0 | 110.6 | K440 H442 V460 | K440-H462 HydrophobicContact CB-CB 3.92Å; K440-H462 WeakPolarHBondContact O-CA 3.35Å; K440-H462 WeakPolarHBondContact O-CB 3.42Å; K440-H462 PolarHBondContact O-N 3.12Å; H442-H462 AromaticContact CD2-CD2 3.79Å; H442-H462 AromaticContact CD2-CG 3.71Å; H442-H462 AromaticContact CE1-CD2 3.68Å; H442-H462 AromaticContact NE2-CD2 2.94Å; H442-H462 PolarHBondContact NE2-CD2 3.35Å; H442-H462 AromaticContact NE2-CE1 3.95Å; H442-H462 AromaticContact NE2-CG 3.31Å; H442-H462 VanDerWaalsContact NE2-CG 3.31Å; H442-H462 AromaticContact NE2-ND1 3.93Å; H442-H462 AromaticContact NE2-NE2 3.38Å; H442-H462 PolarHBondContact NE2-NE2 2.92Å; V460-H462 PolarHBondContact O-N 3.04Å | ||
| 463 | Q | 51.4 | Low | 52.8 | Low | 115 Ų | 115 | 89.4 Ų | 89.4 | 54% | 0.537 | 45% | 0.45 | S | S | . | . | trans | -75.5 | 125.6 | 160.8 | -67.5 | 179.7 | -19.7 | 0 | 0 | 108.7 | P461 | P461-Q463 PolarHBondContact O-N 3.36Š| ||
| 464 | S | 44.2 | Very low | 51.9 | Low | 91 Ų | 91 | 92.3 Ų | 92.3 | 64% | 0.636 | 47% | 0.472 | S | S | * | . | trans | -74 | 140.1 | 175.3 | 51.3 | 0 | 0 | 0 | 0 | 110.2 | E466 | S464-E466 VanDerWaalsContact C-N 3.29Å; S464-E466 PolarHBondContact O-N 2.91Å | ||
| 465 | K | 41 | Very low | 51 | Low | 208 Ų | 208 | 95.6 Ų | 95.6 | 90% | 0.904 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -83.8 | 7.5 | -171.2 | -80.7 | -172.8 | 173 | -179.3 | 0 | 115 | ||
| 466 | E | 36.9 | Very low | 50 | Low | 180 Ų | 180 | 97.3 Ų | 97.3 | 84% | 0.841 | 50% | 0.498 | S | S | * | . | trans | -115.1 | 58.2 | -167.5 | -63.4 | -164.7 | 157.2 | 0 | 0 | 114.3 | S464 | S464-E466 VanDerWaalsContact C-N 3.29Å; S464-E466 PolarHBondContact O-N 2.91Å | ||
| 467 | K | 31.4 | Very low | 49.3 | Very low | 192 Ų | 192 | 102.1 Ų | 102.1 | 84% | 0.835 | 52% | 0.519 | S | S | * | . | trans | -164.4 | 126.3 | 147.7 | -105.6 | 148.8 | -171.1 | 171.3 | 0 | 111.1 | ||||
| 468 | P | 30.4 | Very low | 49 | Very low | 104 Ų | 104 | 102.1 Ų | 102.1 | 68% | 0.675 | 52% | 0.519 | S | S | * | . | trans | -76.5 | 177.6 | 161.4 | 32.4 | -31.6 | 0 | 0 | 0 | 111 | ||||
| 469 | Y | 31.8 | Very low | 48.8 | Very low | 199 Ų | 199 | 102.7 Ų | 102.7 | 78% | 0.78 | 52% | 0.523 | S | S | * | . | trans | 87.2 | 104.7 | 176.8 | -59.2 | -80.8 | 0 | 0 | 0 | 118.1 | ||||
| 470 | E | 31.5 | Very low | 49 | Very low | 166 Ų | 166 | 102.1 Ų | 102.1 | 78% | 0.776 | 52% | 0.52 | S | S | * | . | 68.4 | 103.4 | 127.5 | -64 | 179 | 157.9 | 0 | 0 | 121.2 | |||||
| 471 | S | 29.4 | Very low | 49.3 | Very low | 108 Ų | 108 | 102.3 Ų | 102.3 | 76% | 0.755 | 52% | 0.519 | S | S | * | . | trans | 58.1 | 86.6 | 138.3 | 60 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 472 | Q | 34.9 | Very low | 50 | Low | 189 Ų | 189 | 100.8 Ų | 100.8 | 88% | 0.883 | 51% | 0.509 | S | S | * | . | -160.2 | 153.6 | 112.2 | -103.2 | 164 | 35.3 | 0 | 0 | 110.4 | T474 | Q472-T474 PolarHBondContact O-N 3.35Å; Q472-T474 VanDerWaalsContact O-N 3.08Å | |||
| 473 | S | 37.9 | Very low | 50.7 | Low | 100 Ų | 100 | 98 Ų | 98 | 70% | 0.699 | 50% | 0.496 | S | S | * | . | trans | -84.7 | 80.7 | -167.2 | 51.6 | 0 | 0 | 0 | 0 | 113.2 | H475 | S473-H475 PolarHBondContact O-CD2 3.16Å; S473-H475 VanDerWaalsContact O-CD2 3.27Å; S473-H475 PolarHBondContact O-N 2.87Å | ||
| 474 | T | 45.9 | Very low | 51.2 | Low | 111 Ų | 111 | 98.6 Ų | 98.6 | 68% | 0.681 | 50% | 0.499 | S | S | * | . | trans | -75.8 | 97.8 | 170.7 | 45 | 0 | 0 | 0 | 0 | 110.8 | Q472 T476 | Q472-T474 PolarHBondContact O-N 3.35Å; Q472-T474 VanDerWaalsContact O-N 3.08Å; T474-T476 PolarHBondContact O-N 3.17Å | ||
| 475 | H | 54.4 | Low | 51.5 | Low | 109 Ų | 109 | 98.7 Ų | 98.7 | 51% | 0.505 | 49% | 0.485 | S | S | . | . | trans | -60.8 | 121.6 | 176.1 | -67.9 | -108.2 | 0 | 0 | 0 | 110.3 | S473 K477 | S473-H475 PolarHBondContact O-CD2 3.16Å; S473-H475 VanDerWaalsContact O-CD2 3.27Å; S473-H475 PolarHBondContact O-N 2.87Å; H475-K477 PolarHBondContact O-N 3.5Å | ||
| 476 | T | 58 | Low | 51.5 | Low | 38 Ų | 38 | 94.5 Ų | 94.5 | 23% | 0.233 | 47% | 0.469 | C | S | . | . | trans | -65.6 | 103.6 | 174.4 | 48.9 | 0 | 0 | 0 | 0 | 109.4 | G14 T474 | G14-T476 CarbonylContact C-O 3.59Å; G14-T476 WeakPolarHBondContact CA-O 3.29Å; G14-T476 PolarHBondContact N-O 2.79Å; T474-T476 PolarHBondContact O-N 3.17Å | ||
| 477 | K | 66.5 | Low | 51.1 | Low | 102 Ų | 102 | 90.7 Ų | 90.7 | 44% | 0.443 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 115.8 | 174.6 | -77.1 | 177.7 | 171.6 | -173.2 | 0 | 109.2 | I11 F433 P461 H475 | I11-K477 HydrophobicContact CG2-CB 3.66Å; I11-K477 HydrophobicContact CG2-CD 3.94Å; I11-K477 HydrophobicContact CG2-CG 3.92Å; F433-K477 HydrophobicContact CE1-CB 4.47Å; F433-K477 HydrophobicContact CE1-CD 4.31Å; F433-K477 HydrophobicContact CZ-CD 4.4Å; P461-K477 WeakPolarHBondContact CD-O 3.26Å; P461-K477 WeakPolarHBondContact CG-O 3.14Å; H475-K477 PolarHBondContact O-N 3.5Å |
| 478 | S | 71.8 | Confident | 50.9 | Low | 0 Ų | 0 | 87.6 Ų | 87.6 | 0% | 0 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 155.8 | 171.3 | -52.8 | 0 | 0 | 0 | 0 | 109.8 | I11 F12 G14 I16 L459 | I11-S478 CarbonylContact C-O 3.32Å; I11-S478 WeakPolarHBondContact CA-O 3.12Å; F12-S478 PolarHBondContact N-O 3.43Å; F12-S478 PolarHBondContact O-N 2.83Å; G14-S478 WeakPolarHBondContact O-CB 3.35Å; G14-S478 PolarHBondContact O-OG 3.37Å; I16-S478 PolarHBondContact N-OG 3.36Å; L459-S478 CarbonylContact O-C 3.51Å; L459-S478 VanDerWaalsContact O-CA 3.22Å; L459-S478 WeakPolarHBondContact O-CA 3.14Å; L459-S478 WeakPolarHBondContact O-CB 3.47Å |
| 479 | S | 72.6 | Confident | 50.7 | Low | 13 Ų | 13 | 87.6 Ų | 87.6 | 9% | 0.091 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 153.9 | 176.3 | 44.4 | 0 | 0 | 0 | 0 | 111.4 | G10 T458 L459 Y481 | G10-S479 WeakPolarHBondContact O-CA 3.43Å; G10-S479 WeakPolarHBondContact O-CB 3.4Å; T458-S479 CarbonylContact C-O 3.46Å; T458-S479 WeakPolarHBondContact CA-O 3.3Å; L459-S479 PolarHBondContact N-O 3.28Å; L459-S479 PolarHBondContact O-N 3.05Å; S479-Y481 WeakPolarHBondContact OG-CE2 3.45Å |
| 480 | V | 76.9 | Confident | 50.4 | Low | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 133.4 | 179.1 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | L9 F12 I16 I19 L28 I30 I457 T458 | L9-V480 HydrophobicContact CB-CB 4.34Å; L9-V480 HydrophobicContact CD1-CB 4.41Å; L9-V480 HydrophobicContact CD1-CG1 3.99Å; L9-V480 PolarHBondContact N-O 3.35Å; F12-V480 HydrophobicContact CD2-CB 4.49Å; F12-V480 HydrophobicContact CD2-CG2 3.83Å; F12-V480 HydrophobicContact CE2-CB 3.81Å; F12-V480 HydrophobicContact CE2-CG2 3.55Å; F12-V480 HydrophobicContact CZ-CG2 4.44Å; I16-V480 HydrophobicContact CD1-CG2 3.49Å; I16-V480 VanDerWaalsContact CD1-CG2 3.49Å; I19-V480 HydrophobicContact CD1-CG1 4.11Å; I19-V480 HydrophobicContact CD1-CG2 3.89Å; L28-V480 HydrophobicContact CD2-CG1 4.27Å; I30-V480 HydrophobicContact CD1-CB 4.41Å; I30-V480 HydrophobicContact CD1-CG1 4.41Å; I30-V480 HydrophobicContact CD1-CG2 4.16Å; I30-V480 HydrophobicContact CG2-CG2 4.26Å; I457-V480 VanDerWaalsContact O-CA 3.28Å; I457-V480 WeakPolarHBondContact O-CA 3.48Å; T458-V480 HydrophobicContact CG2-CG2 4.13Å |
| 481 | Y | 72.8 | Confident | 50.4 | Low | 23 Ų | 23 | 76.1 Ų | 76.1 | 9% | 0.09 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 159.2 | -173.2 | -68.5 | -90.3 | 0 | 0 | 0 | 112.4 | L5 E7 K8 L426 D430 A456 I457 L459 S479 | L5-Y481 HydrophobicContact CD2-CD1 3.53Å; L5-Y481 HydrophobicContact CD2-CE1 4.32Å; L5-Y481 HydrophobicContact CD2-CG 3.96Å; E7-Y481 CarbonylContact O-C 3.4Å; E7-Y481 WeakPolarHBondContact O-CA 3.48Å; K8-Y481 HydrophobicContact CB-CD1 3.67Å; K8-Y481 HydrophobicContact CB-CE1 3.67Å; K8-Y481 HydrophobicContact CD-CD1 4.4Å; K8-Y481 HydrophobicContact CD-CE1 3.57Å; K8-Y481 WeakPolarHBondContact CE-OH 3.4Å; K8-Y481 HydrophobicContact CG-CD1 3.81Å; K8-Y481 HydrophobicContact CG-CE1 3.46Å; K8-Y481 VanDerWaalsContact CG-CE1 3.46Å; L426-Y481 HydrophobicContact CD2-CD1 3.73Å; L426-Y481 HydrophobicContact CD2-CD2 3.49Å; L426-Y481 VanDerWaalsContact CD2-CD2 3.49Å; L426-Y481 HydrophobicContact CD2-CE1 3.74Å; L426-Y481 HydrophobicContact CD2-CE2 3.56Å; L426-Y481 HydrophobicContact CD2-CG 3.57Å; D430-Y481 PolarHBondContact OD2-OH 2.97Å; A456-Y481 WeakPolarHBondContact CA-O 3.32Å; I457-Y481 PolarHBondContact N-O 2.96Å; I457-Y481 PolarHBondContact O-N 3.48Å; L459-Y481 HydrophobicContact CD1-CD2 4.31Å; L459-Y481 HydrophobicContact CD1-CE2 3.87Å; L459-Y481 HydrophobicContact CG-CD2 4.35Å; L459-Y481 HydrophobicContact CG-CE2 4.3Å; S479-Y481 WeakPolarHBondContact OG-CE2 3.45Å |
| 482 | I | 76.5 | Confident | 50.4 | Low | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 144.8 | -174.3 | -40.7 | -177.6 | 0 | 0 | 0 | 110.4 | S6 E7 L9 L46 K454 L455 | S6-I482 PolarHBondContact N-O 3.24Å; S6-I482 VanDerWaalsContact OG-C 3.29Å; S6-I482 PolarHBondContact OG-O 2.61Å; S6-I482 VanDerWaalsContact OG-O 3.07Å; E7-I482 HydrophobicContact CB-CB 4.26Å; E7-I482 HydrophobicContact CB-CD1 4.22Å; E7-I482 HydrophobicContact CB-CG1 4.38Å; E7-I482 PolarHBondContact N-O 2.94Å; E7-I482 PolarHBondContact O-N 3.26Å; L9-I482 HydrophobicContact CD1-CD1 4.2Å; L9-I482 HydrophobicContact CD2-CD1 4.06Å; L9-I482 HydrophobicContact CG-CD1 3.95Å; L9-I482 HydrophobicContact CG-CG1 4.41Å; L46-I482 HydrophobicContact CD2-CD1 3.15Å; K454-I482 HydrophobicContact CB-CG2 3.87Å; K454-I482 HydrophobicContact CD-CG2 4.16Å; K454-I482 HydrophobicContact CG-CG2 4.12Å; L455-I482 WeakPolarHBondContact O-CA 3.44Å |
| 483 | L | 68.8 | Low | 50.4 | Low | 8 Ų | 8 | 66.6 Ų | 66.6 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 155.6 | -166 | -53.5 | -171.5 | 0 | 0 | 0 | 115.9 | V3 F4 L5 S6 F365 L424 I457 | V3-L483 HydrophobicContact CG1-CB 3.79Å; V3-L483 HydrophobicContact CG1-CD1 4.13Å; V3-L483 HydrophobicContact CG1-CG 4.46Å; F4-L483 WeakPolarHBondContact O-CA 3.27Å; L5-L483 HydrophobicContact CB-CD2 4.46Å; L5-L483 HydrophobicContact CD2-CD2 3.52Å; L5-L483 HydrophobicContact CG-CD2 3.85Å; S6-L483 PolarHBondContact OG-N 3.1Å; F365-L483 HydrophobicContact CE2-CD1 4.24Å; F365-L483 HydrophobicContact CZ-CD1 3.73Å; L424-L483 HydrophobicContact CD1-CD1 4.01Å; L424-L483 HydrophobicContact CD1-CD2 3.52Å; L424-L483 HydrophobicContact CD1-CG 4.31Å; L424-L483 HydrophobicContact CD2-CD1 4.11Å; L424-L483 HydrophobicContact CD2-CD2 3.6Å; L424-L483 HydrophobicContact CG-CD1 4.45Å; L424-L483 HydrophobicContact CG-CD2 4.17Å; I457-L483 HydrophobicContact CD1-CD1 3.39Å; I457-L483 HydrophobicContact CD1-CD2 4.26Å; I457-L483 HydrophobicContact CD1-CG 3.81Å |
| 484 | Q | 62.1 | Low | 50.1 | Low | 129 Ų | 129 | 62.9 Ų | 62.9 | 60% | 0.603 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -159.9 | -175 | -177 | -134.2 | 168.1 | -16.9 | 0 | 0 | 113 | V3 F4 | V3-Q484 CarbonylContact C-O 3.48Å; V3-Q484 WeakPolarHBondContact CA-O 3.31Å; V3-Q484 VanDerWaalsContact CG1-O 3.26Å; V3-Q484 WeakPolarHBondContact CG1-O 3.46Å; F4-Q484 PolarHBondContact N-O 2.88Å; F4-Q484 PolarHBondContact O-N 2.84Å |
| 485 | R | 50.7 | Low | 50.1 | Low | 93 Ų | 93 | 64.4 Ų | 64.4 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 0 | -149.1 | -169.2 | 174.8 | 176.3 | 172.2 | 2.7 | 120.7 | M1 S2 E453 | M1-R485 HydrophobicContact CB-CG 4.48Å; M1-R485 HydrophobicContact SD-CG 4.14Å; M1-R485 PolarHBondContact SD-NE 2.85Å; S2-R485 CarbonylContact O-C 3.46Å; S2-R485 WeakPolarHBondContact O-CA 3.45Å; E453-R485 IonicContact OE1-NH1 3.01Å; E453-R485 IonicContact OE2-NH1 3.96Å |
| 486 | Q | 40 | Very low | 49.8 | Very low | 119 Ų | 119 | 60.1 Ų | 60.1 | 56% | 0.556 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -60 | -167.8 | -0.2 | 0 | 0 | 122.3 | M1 S2 F4 | M1-Q486 CarbonylContact C-O 3.58Å; M1-Q486 WeakPolarHBondContact CA-O 3.29Å; S2-Q486 PolarHBondContact N-O 2.77Å; S2-Q486 PolarHBondContact O-N 3.22Å; S2-Q486 VanDerWaalsContact OG-C 3.31Å; S2-Q486 PolarHBondContact OG-O 3.22Å; F4-Q486 HydrophobicContact CD2-CB 4.37Å; F4-Q486 HydrophobicContact CE2-CB 4.04Å | |
| 487 | S | 29.2 | Very low | 49.7 | Very low | 101 Ų | 101 | 59.1 Ų | 59.1 | 71% | 0.706 | 30% | 0.302 | S | S | * | . | 0 | 0 | 0 | 60.2 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 488 | P | 26.3 | Very low | 49.2 | Very low | 126 Ų | 126 | 55 Ų | 55 | 82% | 0.818 | 29% | 0.287 | S | S | * | . | 0 | 0 | 0 | 44.7 | -25.3 | 0 | 0 | 0 | 123.8 | |||||
| 489 | Q | 26.1 | Very low | 48.9 | Very low | 104 Ų | 104 | 56.7 Ų | 56.7 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | 0 | 168.1 | 0 | -78.5 | -144.4 | -108.3 | 0 | 0 | 120.3 | I981 | Q489-I981 HydrophobicContact CB-CG2 4.13Š| |||
| 490 | T | 25.8 | Very low | 48.3 | Very low | 58 Ų | 58 | 57.8 Ų | 57.8 | 36% | 0.356 | 30% | 0.303 | S | S | . | . | trans | -164.1 | 0 | -168.3 | 53.1 | 0 | 0 | 0 | 0 | 121.3 | A1128 | T490-A1128 HydrophobicContact CG2-CB 4.38Å; T490-A1128 VanDerWaalsContact OG1-CA 3.23Å; T490-A1128 WeakPolarHBondContact OG1-CA 3.25Å; T490-A1128 WeakPolarHBondContact OG1-CB 3.27Å | ||
| 491 | H | 30.8 | Very low | 47.7 | Very low | 67 Ų | 67 | 61.9 Ų | 61.9 | 31% | 0.31 | 32% | 0.322 | S | S | . | . | 0 | 0 | 0 | -85.7 | -24.5 | 0 | 0 | 0 | 122.1 | R905 F972 Y1125 A1128 | H491-R905 PolarHBondContact CD2-NH1 2.87Å; H491-R905 PolarHBondContact NE2-NH1 3.2Å; H491-R905 VanDerWaalsContact NE2-NH1 3.18Å; H491-F972 HydrophobicContact CB-CD1 4.33Å; H491-F972 HydrophobicContact CB-CE1 3.99Å; H491-F972 HydrophobicContact CB-CE2 4.33Å; H491-F972 HydrophobicContact CB-CZ 4.02Å; H491-F972 VanDerWaalsContact N-CE2 3.25Å; H491-F972 WeakPolarHBondContact O-CZ 3.22Å; H491-Y1125 HydrophobicContact CB-CE2 4.28Å; H491-Y1125 AromaticContact ND1-CE2 3.92Å; H491-A1128 PolarHBondContact ND1-O 2.98Å; H491-A1128 VanDerWaalsContact ND1-O 3.11Å | |||
| 492 | F | 31.3 | Very low | 47 | Very low | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | 0 | 0 | 0 | -175.3 | -80.6 | 0 | 0 | 0 | 124.8 | D900 E903 M906 V1000 L1121 Y1125 | F492-D900 HydrophobicContact CE2-CB 3.69Å; F492-D900 WeakPolarHBondContact CE2-OD2 3.48Å; F492-D900 HydrophobicContact CZ-CB 4.29Å; F492-D900 VanDerWaalsContact CZ-CG 3.45Å; F492-D900 WeakPolarHBondContact CZ-OD2 3.47Å; F492-E903 WeakPolarHBondContact CA-OE2 3.24Å; F492-E903 HydrophobicContact CB-CG 4.35Å; F492-E903 HydrophobicContact CD2-CB 3.37Å; F492-E903 HydrophobicContact CD2-CG 3.54Å; F492-E903 HydrophobicContact CE2-CB 3.37Å; F492-E903 HydrophobicContact CE2-CG 4.06Å; F492-E903 HydrophobicContact CG-CB 4.06Å; F492-E903 HydrophobicContact CG-CG 4.12Å; F492-E903 HydrophobicContact CZ-CB 4.03Å; F492-M906 HydrophobicContact CD2-CB 3.86Å; F492-M906 HydrophobicContact CD2-CG 4.04Å; F492-M906 HydrophobicContact CE2-CB 4.22Å; F492-V1000 HydrophobicContact CD1-CB 3.67Å; F492-V1000 HydrophobicContact CD1-CG1 4.06Å; F492-V1000 HydrophobicContact CD1-CG2 3.78Å; F492-V1000 HydrophobicContact CD2-CB 4.37Å; F492-V1000 HydrophobicContact CD2-CG2 3.55Å; F492-V1000 HydrophobicContact CE1-CB 3.4Å; F492-V1000 VanDerWaalsContact CE1-CB 3.4Å; F492-V1000 HydrophobicContact CE1-CG1 4.28Å; F492-V1000 HydrophobicContact CE1-CG2 3.57Å; F492-V1000 HydrophobicContact CE2-CB 4.11Å; F492-V1000 HydrophobicContact CE2-CG2 3.26Å; F492-V1000 HydrophobicContact CG-CB 4.2Å; F492-V1000 HydrophobicContact CG-CG1 4.47Å; F492-V1000 HydrophobicContact CG-CG2 3.82Å; F492-V1000 HydrophobicContact CZ-CB 3.65Å; F492-V1000 HydrophobicContact CZ-CG2 3.31Å; F492-L1121 HydrophobicContact CD1-CD2 3.97Å; F492-Y1125 WeakPolarHBondContact O-CD1 3.3Å; F492-Y1125 WeakPolarHBondContact O-CE1 3.19Å; F492-Y1125 VanDerWaalsContact O-CG 3.27Å | |||
| 493 | Y | 33.7 | Very low | 46 | Very low | 92 Ų | 92 | 64.3 Ų | 64.3 | 36% | 0.361 | 34% | 0.343 | S | S | . | . | 0 | 0 | 0 | -155.9 | -134.7 | 0 | 0 | 0 | 126.3 | E903 L1121 | Y493-E903 PolarHBondContact N-OE2 3.43Å; Y493-L1121 HydrophobicContact CD2-CD1 3.98Å; Y493-L1121 HydrophobicContact CE2-CD1 3.82Å | |||
| 494 | G | 32.6 | Very low | 45.9 | Very low | 22 Ų | 22 | 68 Ų | 68 | 23% | 0.227 | 37% | 0.368 | C | S | . | . | 0 | 122.9 | 0 | 0 | 0 | 0 | 0 | 0 | 131.2 | Y902 | G494-Y902 WeakPolarHBondContact O-CB 3.32Å; G494-Y902 VanDerWaalsContact O-CD1 3.25Å; G494-Y902 WeakPolarHBondContact O-CD1 3.43Å | |||
| 495 | Y | 45 | Very low | 46.5 | Very low | 143 Ų | 143 | 68.3 Ų | 68.3 | 56% | 0.561 | 36% | 0.363 | S | S | * | . | trans | 62.6 | 112.4 | 165.6 | -82.7 | -89.9 | 0 | 0 | 0 | 124.2 | Y584 Y902 | Y495-Y584 HydrophobicContact CD1-CE1 4.16Å; Y495-Y584 AromaticContact CE1-CE1 3.78Å; Y495-Y584 HydrophobicContact CE1-CE1 3.78Å; Y495-Y584 WeakPolarHBondContact CE2-OH 3.47Å; Y495-Y584 PolarHBondContact OH-OH 2.74Å; Y495-Y902 WeakPolarHBondContact O-CD1 2.91Å; Y495-Y902 WeakPolarHBondContact O-CE1 3.34Å | ||
| 496 | G | 47.4 | Very low | 47.2 | Very low | 19 Ų | 19 | 65.2 Ų | 65.2 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | trans | 177 | -160.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | Y902 | G496-Y902 WeakPolarHBondContact CA-OH 3.46Š| ||
| 497 | C | 57.3 | Low | 48.5 | Very low | 18 Ų | 18 | 59.7 Ų | 59.7 | 12% | 0.122 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 121 | 175 | -70.5 | 0 | 0 | 0 | 0 | 110.9 | F510 C602 | C497-F510 CarbonylContact C-O 2.96Å; C497-F510 VanDerWaalsContact CA-O 3.3Å; C497-F510 WeakPolarHBondContact CA-O 3.37Å; C497-C602 PolarHBondContact O-SG 3.45Å; C497-C602 VanDerWaalsContact O-SG 3.4Å |
| 498 | A | 56.1 | Low | 50.2 | Low | 15 Ų | 15 | 55.2 Ų | 55.2 | 12% | 0.124 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 143.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112 | V509 F510 | A498-V509 CarbonylContact O-C 3.46Å; A498-V509 WeakPolarHBondContact O-CA 3.3Å; A498-F510 HydrophobicContact CB-CB 4.43Å; A498-F510 PolarHBondContact N-O 2.83Å; A498-F510 PolarHBondContact O-N 2.93Å |
| 499 | V | 64 | Low | 52 | Low | 35 Ų | 35 | 49.2 Ų | 49.2 | 21% | 0.212 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 123.8 | 176.7 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | L507 A508 V509 V600 C602 V607 | V499-L507 HydrophobicContact CG1-CB 4.15Å; V499-L507 HydrophobicContact CG1-CD1 4.18Å; V499-L507 HydrophobicContact CG1-CD2 4.09Å; V499-L507 HydrophobicContact CG1-CG 4.38Å; V499-A508 WeakPolarHBondContact CA-O 3.07Å; V499-V509 HydrophobicContact CG1-CG2 4.33Å; V499-V509 HydrophobicContact CG2-CB 4.47Å; V499-V509 HydrophobicContact CG2-CG1 4.05Å; V499-V509 HydrophobicContact CG2-CG2 4.04Å; V499-V600 HydrophobicContact CG1-CG1 3.83Å; V499-C602 HydrophobicContact CB-CB 4.4Å; V499-C602 HydrophobicContact CG2-CB 3.57Å; V499-V607 HydrophobicContact CG1-CG1 4.46Å; V499-V607 HydrophobicContact CG2-CG1 4.23Å; V499-V607 HydrophobicContact CG2-CG2 3.92Å |
| 500 | V | 60 | Low | 53.7 | Low | 37 Ų | 37 | 47 Ų | 47 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 123.1 | -175.5 | 175 | 0 | 0 | 0 | 0 | 109.3 | T502 L507 A508 F510 I1098 | V500-T502 PolarHBondContact O-N 3.11Å; V500-L507 CarbonylContact O-C 3.45Å; V500-L507 WeakPolarHBondContact O-CA 3.39Å; V500-A508 PolarHBondContact N-O 3.15Å; V500-A508 PolarHBondContact O-N 3.4Å; V500-F510 HydrophobicContact CB-CE2 4.32Å; V500-F510 HydrophobicContact CG2-CD2 4.29Å; V500-F510 HydrophobicContact CG2-CE2 3.92Å; V500-I1098 HydrophobicContact CG1-CD1 3.29Å |
| 501 | Q | 64.6 | Low | 55.2 | Low | 85 Ų | 85 | 44.2 Ų | 44.2 | 40% | 0.397 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 104.2 | 178.6 | -175.5 | 173.8 | -5 | 0 | 0 | 111 | G503 L507 | Q501-G503 VanDerWaalsContact C-N 3.31Å; Q501-G503 WeakPolarHBondContact CG-O 3.49Å; Q501-G503 PolarHBondContact NE2-O 3.45Å; Q501-G503 PolarHBondContact O-N 2.89Å; Q501-L507 HydrophobicContact CB-CD2 4.02Å; Q501-L507 HydrophobicContact CG-CD2 4.16Å |
| 502 | T | 59.1 | Low | 56.4 | Low | 60 Ų | 60 | 42.9 Ų | 42.9 | 37% | 0.368 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -13.5 | -179.3 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | V500 S506 A508 | V500-T502 PolarHBondContact O-N 3.11Å; T502-S506 PolarHBondContact N-O 2.71Å; T502-S506 VanDerWaalsContact N-O 3.07Å; T502-S506 VanDerWaalsContact OG1-CB 3.28Å; T502-S506 WeakPolarHBondContact OG1-CB 3.43Å; T502-S506 PolarHBondContact OG1-O 3.33Å; T502-S506 PolarHBondContact OG1-OG 3.11Å; T502-A508 HydrophobicContact CG2-CB 3.73Å |
| 503 | G | 54.8 | Low | 57.5 | Low | 16 Ų | 16 | 45 Ų | 45 | 17% | 0.165 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.3 | 176.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q501 R505 S506 | Q501-G503 VanDerWaalsContact C-N 3.31Å; Q501-G503 WeakPolarHBondContact CG-O 3.49Å; Q501-G503 PolarHBondContact NE2-O 3.45Å; Q501-G503 PolarHBondContact O-N 2.89Å; G503-R505 PolarHBondContact O-N 3.26Å; G503-S506 WeakPolarHBondContact CA-OG 3.37Å; G503-S506 PolarHBondContact N-O 3.47Å; G503-S506 PolarHBondContact N-OG 2.92Å; G503-S506 VanDerWaalsContact N-OG 3.12Å; G503-S506 PolarHBondContact O-N 2.74Å |
| 504 | P | 68 | Low | 58.1 | Low | 86 Ų | 86 | 41.3 Ų | 41.3 | 56% | 0.558 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -14 | -177.4 | 26.2 | -35.4 | 0 | 0 | 0 | 114 | Q596 I597 | P504-Q596 WeakPolarHBondContact O-CA 3.35Å; P504-I597 PolarHBondContact O-N 2.86Å |
| 505 | R | 73.7 | Confident | 58.8 | Low | 134 Ų | 134 | 46 Ų | 46 | 51% | 0.506 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -140.4 | 28.6 | -178.8 | -63 | -155.9 | 178.8 | 177.5 | 3.3 | 112.8 | G503 V593 E594 D595 | G503-R505 PolarHBondContact O-N 3.26Å; R505-V593 WeakPolarHBondContact CB-O 3.1Å; R505-V593 PolarHBondContact O-N 2.93Å; R505-E594 WeakPolarHBondContact CD-O 3.48Å; R505-E594 PolarHBondContact NE-O 2.91Å; R505-E594 PolarHBondContact NH1-O 3.45Å; R505-D595 WeakPolarHBondContact CG-O 3.42Å |
| 506 | S | 66.3 | Low | 58.7 | Low | 29 Ų | 29 | 45.9 Ų | 45.9 | 20% | 0.203 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 148.3 | -178.4 | 58.6 | 0 | 0 | 0 | 0 | 112.9 | T502 G503 I591 | T502-S506 PolarHBondContact N-O 2.71Å; T502-S506 VanDerWaalsContact N-O 3.07Å; T502-S506 VanDerWaalsContact OG1-CB 3.28Å; T502-S506 WeakPolarHBondContact OG1-CB 3.43Å; T502-S506 PolarHBondContact OG1-O 3.33Å; T502-S506 PolarHBondContact OG1-OG 3.11Å; G503-S506 WeakPolarHBondContact CA-OG 3.37Å; G503-S506 PolarHBondContact N-O 3.47Å; G503-S506 PolarHBondContact N-OG 2.92Å; G503-S506 VanDerWaalsContact N-OG 3.12Å; G503-S506 PolarHBondContact O-N 2.74Å; S506-I591 WeakPolarHBondContact CA-O 3.34Å |
| 507 | L | 66.8 | Low | 58.4 | Low | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 142.5 | -177.5 | -56.7 | 172.9 | 0 | 0 | 0 | 108.8 | V499 V500 Q501 I591 V593 I597 V600 V607 | V499-L507 HydrophobicContact CG1-CB 4.15Å; V499-L507 HydrophobicContact CG1-CD1 4.18Å; V499-L507 HydrophobicContact CG1-CD2 4.09Å; V499-L507 HydrophobicContact CG1-CG 4.38Å; V500-L507 CarbonylContact O-C 3.45Å; V500-L507 WeakPolarHBondContact O-CA 3.39Å; Q501-L507 HydrophobicContact CB-CD2 4.02Å; Q501-L507 HydrophobicContact CG-CD2 4.16Å; L507-I591 HydrophobicContact CB-CB 4.22Å; L507-I591 PolarHBondContact N-O 3.18Å; L507-I591 WeakPolarHBondContact O-CA 2.93Å; L507-I591 PolarHBondContact O-N 3.14Å; L507-V593 HydrophobicContact CD1-CG2 4.46Å; L507-I597 HydrophobicContact CD2-CD1 3.84Å; L507-I597 HydrophobicContact CG-CD1 4.01Å; L507-V600 HydrophobicContact CD1-CG1 4.31Å; L507-V600 HydrophobicContact CD2-CG1 4.22Å; L507-V600 HydrophobicContact CD2-CG2 3.87Å; L507-V607 HydrophobicContact CD1-CG1 4.34Å |
| 508 | A | 63.6 | Low | 57.7 | Low | 7 Ų | 7 | 55.9 Ų | 55.9 | 6% | 0.058 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 136.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | V499 V500 T502 F510 H589 | V499-A508 WeakPolarHBondContact CA-O 3.07Å; V500-A508 PolarHBondContact N-O 3.15Å; V500-A508 PolarHBondContact O-N 3.4Å; T502-A508 HydrophobicContact CG2-CB 3.73Å; A508-F510 HydrophobicContact CB-CE2 4.14Å; A508-F510 HydrophobicContact CB-CZ 4.3Å; A508-H589 CarbonylContact C-O 3.57Å; A508-H589 WeakPolarHBondContact CA-O 3.48Å |
| 509 | V | 64.9 | Low | 56.5 | Low | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 125.4 | 176.8 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | A498 V499 T511 E588 H589 I591 I626 | A498-V509 CarbonylContact O-C 3.46Å; A498-V509 WeakPolarHBondContact O-CA 3.3Å; V499-V509 HydrophobicContact CG1-CG2 4.33Å; V499-V509 HydrophobicContact CG2-CB 4.47Å; V499-V509 HydrophobicContact CG2-CG1 4.05Å; V499-V509 HydrophobicContact CG2-CG2 4.04Å; V509-T511 HydrophobicContact CG1-CG2 3.82Å; V509-E588 CarbonylContact O-C 3.58Å; V509-E588 WeakPolarHBondContact O-CA 3.28Å; V509-H589 HydrophobicContact CB-CB 4.28Å; V509-H589 PolarHBondContact N-O 3.27Å; V509-H589 PolarHBondContact O-N 2.92Å; V509-I591 HydrophobicContact CG2-CD1 3.56Å; V509-I591 HydrophobicContact CG2-CG1 4.21Å; V509-I626 HydrophobicContact CB-CD1 4.21Å; V509-I626 HydrophobicContact CG1-CD1 4.15Å; V509-I626 HydrophobicContact CG2-CD1 4.3Å |
| 510 | F | 62 | Low | 54.9 | Low | 57 Ų | 57 | 69 Ų | 69 | 25% | 0.25 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 124.5 | 175.4 | -59.4 | -82.8 | 0 | 0 | 0 | 109 | C497 A498 V500 A508 C587 E588 | C497-F510 CarbonylContact C-O 2.96Å; C497-F510 VanDerWaalsContact CA-O 3.3Å; C497-F510 WeakPolarHBondContact CA-O 3.37Å; A498-F510 HydrophobicContact CB-CB 4.43Å; A498-F510 PolarHBondContact N-O 2.83Å; A498-F510 PolarHBondContact O-N 2.93Å; V500-F510 HydrophobicContact CB-CE2 4.32Å; V500-F510 HydrophobicContact CG2-CD2 4.29Å; V500-F510 HydrophobicContact CG2-CE2 3.92Å; A508-F510 HydrophobicContact CB-CE2 4.14Å; A508-F510 HydrophobicContact CB-CZ 4.3Å; F510-C587 CarbonylContact C-O 3.44Å; F510-C587 WeakPolarHBondContact CA-O 3.49Å; F510-E588 HydrophobicContact CD1-CB 4.02Å; F510-E588 HydrophobicContact CD1-CG 4.31Å; F510-E588 HydrophobicContact CE1-CB 3.87Å; F510-E588 HydrophobicContact CE1-CG 3.74Å; F510-E588 HydrophobicContact CZ-CG 4.35Å |
| 511 | T | 57.7 | Low | 53.4 | Low | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 123.7 | -174.8 | 73.6 | 0 | 0 | 0 | 0 | 110.8 | V509 C587 Q620 | V509-T511 HydrophobicContact CG1-CG2 3.82Å; T511-C587 PolarHBondContact N-O 3.1Å; T511-C587 PolarHBondContact O-N 3.13Å; T511-Q620 VanDerWaalsContact CG2-OE1 3.24Å |
| 512 | A | 56.2 | Low | 51.4 | Low | 38 Ų | 38 | 75.2 Ų | 75.2 | 31% | 0.314 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 123.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L586 | A512-L586 HydrophobicContact CB-CD1 3.99Å |
| 513 | I | 54.8 | Low | 49.8 | Very low | 49 Ų | 49 | 79.3 Ų | 79.3 | 25% | 0.251 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 116.2 | -179.6 | -58.6 | 164.2 | 0 | 0 | 0 | 109.4 | Y584 S585 | I513-Y584 CarbonylContact O-C 3.58Å; I513-Y584 WeakPolarHBondContact O-CA 3.4Å; I513-S585 PolarHBondContact N-O 3.44Å; I513-S585 PolarHBondContact O-N 3.02Å; I513-S585 PolarHBondContact O-OG 3.07Å |
| 514 | S | 45.8 | Very low | 48.5 | Very low | 14 Ų | 14 | 84 Ų | 84 | 10% | 0.098 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 131.5 | 173 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | K516 | S514-K516 PolarHBondContact O-N 3.01Å; S514-K516 PolarHBondContact OG-N 3.04Å |
| 515 | E | 47.4 | Very low | 46.5 | Very low | 120 Ų | 120 | 85.7 Ų | 85.7 | 56% | 0.561 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -64.1 | -26.6 | 177.4 | -63 | -176.2 | 130.2 | 0 | 0 | 112.8 | H517 V518 N583 | E515-H517 VanDerWaalsContact C-N 3.31Å; E515-H517 PolarHBondContact O-N 3.24Å; E515-V518 WeakPolarHBondContact O-CB 3.36Å; E515-V518 WeakPolarHBondContact O-CG2 3.49Å; E515-V518 PolarHBondContact O-N 3.41Å; E515-N583 HydrophobicContact CG-CB 4.34Å; E515-N583 PolarHBondContact N-O 3.16Å; E515-N583 VanDerWaalsContact OE2-CB 3.23Å; E515-N583 WeakPolarHBondContact OE2-CB 3.36Å; E515-N583 PolarHBondContact OE2-ND2 3.33Å |
| 516 | K | 41.6 | Very low | 44 | Very low | 141 Ų | 141 | 83.9 Ų | 83.9 | 61% | 0.613 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -68.4 | -25.3 | -176 | -74.8 | -172.5 | -179.3 | 170.1 | 0 | 114.1 | S514 V518 D582 | S514-K516 PolarHBondContact O-N 3.01Å; S514-K516 PolarHBondContact OG-N 3.04Å; K516-V518 VanDerWaalsContact C-N 3.28Å; K516-V518 PolarHBondContact O-N 2.96Å; K516-D582 WeakPolarHBondContact CD-OD2 3.41Å; K516-D582 VanDerWaalsContact CE-OD1 3.26Å; K516-D582 WeakPolarHBondContact CE-OD1 3.48Å; K516-D582 IonicContact NZ-OD1 3.93Å; K516-D582 PolarHBondContact NZ-OD1 3.3Å; K516-D582 IonicContact NZ-OD2 3.98Å |
| 517 | H | 41.7 | Very low | 42 | Very low | 146 Ų | 146 | 90.3 Ų | 90.3 | 68% | 0.676 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -77.5 | -11 | 180 | -102 | -79.9 | 0 | 0 | 0 | 114.2 | E515 N519 | E515-H517 VanDerWaalsContact C-N 3.31Å; E515-H517 PolarHBondContact O-N 3.24Å; H517-N519 VanDerWaalsContact C-N 3.26Å; H517-N519 PolarHBondContact O-N 3.42Å |
| 518 | V | 41.9 | Very low | 40.2 | Very low | 102 Ų | 102 | 96.8 Ų | 96.8 | 62% | 0.618 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -64.4 | -29.7 | 178.2 | -179 | 0 | 0 | 0 | 0 | 112.1 | E515 K516 | E515-V518 WeakPolarHBondContact O-CB 3.36Å; E515-V518 WeakPolarHBondContact O-CG2 3.49Å; E515-V518 PolarHBondContact O-N 3.41Å; K516-V518 VanDerWaalsContact C-N 3.28Å; K516-V518 PolarHBondContact O-N 2.96Å |
| 519 | N | 30.9 | Very low | 38.5 | Very low | 137 Ų | 137 | 102 Ų | 102 | 73% | 0.733 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -102.7 | 11.4 | -168.9 | -70.8 | -16.6 | 0 | 0 | 0 | 115.6 | H517 | H517-N519 VanDerWaalsContact C-N 3.26Å; H517-N519 PolarHBondContact O-N 3.42Å |
| 520 | K | 31.7 | Very low | 36.7 | Very low | 187 Ų | 187 | 106.2 Ų | 106.2 | 81% | 0.813 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -115.4 | 15.4 | 178.1 | -101.7 | -177.4 | 178.5 | 179.1 | 0 | 116.1 | ||
| 521 | T | 27.7 | Very low | 35.1 | Very low | 117 Ų | 117 | 109 Ų | 109 | 72% | 0.718 | 61% | 0.607 | S | S | * | * | trans | -131.8 | 45.1 | 167 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 522 | N | 24.1 | Very low | 33.6 | Very low | 137 Ų | 137 | 115.3 Ų | 115.3 | 73% | 0.733 | 64% | 0.64 | S | S | * | * | trans | -84.8 | 130.1 | 139 | -77.3 | -20.6 | 0 | 0 | 0 | 105.8 | ||||
| 523 | L | 25.1 | Very low | 32.3 | Very low | 146 Ų | 146 | 120.2 Ų | 120.2 | 76% | 0.764 | 66% | 0.661 | S | S | * | * | 50.4 | 115.2 | 76 | -93.9 | 76.8 | 0 | 0 | 0 | 113.2 | S525 | L523-S525 PolarHBondContact O-N 2.64Š| |||
| 524 | S | 27.1 | Very low | 30.9 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | trans | -25.5 | 110.9 | 147.1 | 50.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 525 | S | 25.1 | Very low | 30.1 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | -160.1 | 155.6 | 125 | 45 | 0 | 0 | 0 | 0 | 110.1 | L523 | L523-S525 PolarHBondContact O-N 2.64Š| |||
| 526 | S | 22.9 | Very low | 29 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | trans | -90.6 | 148.1 | -169.8 | 47.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 527 | E | 23.9 | Very low | 28.1 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | trans | 49.5 | 115.6 | 143.1 | -58.3 | 165.3 | -163.9 | 0 | 0 | 119.3 | ||||
| 528 | N | 27.8 | Very low | 27.3 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | 170.6 | 156 | 97.7 | -95.2 | -62.8 | 0 | 0 | 0 | 115.1 | |||||
| 529 | V | 29.1 | Very low | 26.6 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 70% | 0.703 | 73% | 0.734 | S | S | * | * | trans | 62.1 | 91.4 | 144.5 | 171.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 530 | S | 26.3 | Very low | 26.3 | Very low | 90 Ų | 90 | 134 Ų | 134 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | 29.4 | 146.3 | 103.9 | 71.7 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 531 | T | 28.2 | Very low | 26 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | cis | -174 | 161.8 | 5.3 | 11.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 532 | I | 27.7 | Very low | 25.9 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | trans | 64.1 | 99 | 146.5 | -63.9 | 161.5 | 0 | 0 | 0 | 118 | ||||
| 533 | N | 27.9 | Very low | 25.9 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | 37.6 | 116.6 | 120.5 | -44.9 | -11.8 | 0 | 0 | 0 | 119.6 | |||||
| 534 | N | 25.1 | Very low | 26 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | trans | -163 | 170.3 | 146.9 | -96.4 | -52.7 | 0 | 0 | 0 | 109.4 | ||||
| 535 | I | 29.5 | Very low | 25.8 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | trans | 66.1 | 94.8 | 168.5 | -43.7 | -173 | 0 | 0 | 0 | 114.5 | ||||
| 536 | T | 24.5 | Very low | 25.8 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | 55.5 | 96.7 | 65 | 76.8 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 537 | E | 23.1 | Very low | 25.9 | Very low | 169 Ų | 169 | 137 Ų | 137 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | 66.7 | 167.4 | 152.8 | -49.7 | -169.8 | 160.1 | 0 | 0 | 120.7 | ||||
| 538 | N | 25.1 | Very low | 26.1 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 54% | 0.535 | 73% | 0.734 | S | S | . | * | trans | 75.3 | 94.3 | 153.9 | -67.3 | -64.6 | 0 | 0 | 0 | 120.5 | ||||
| 539 | K | 26.3 | Very low | 25.8 | Very low | 168 Ų | 168 | 135 Ų | 135 | 73% | 0.73 | 73% | 0.729 | S | S | * | * | 75.8 | 122.6 | 122.5 | -67.1 | 161.7 | -178.1 | 141.5 | 0 | 120.3 | |||||
| 540 | T | 25.1 | Very low | 25.8 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 87% | 0.871 | 73% | 0.732 | S | S | * | * | trans | 56.6 | 116.5 | 137.2 | 60.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 541 | G | 25.7 | Very low | 25.8 | Very low | 69 Ų | 69 | 136.7 Ų | 136.7 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | trans | 147.7 | 114.5 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 542 | N | 24.5 | Very low | 25.7 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | trans | 47.7 | 115.5 | 138.8 | -63.8 | -6.9 | 0 | 0 | 0 | 121.8 | ||||
| 543 | I | 24.7 | Very low | 25.7 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 70% | 0.697 | 75% | 0.749 | S | S | * | * | 49.4 | 118.9 | 114.5 | -55.5 | 156.9 | 0 | 0 | 0 | 117.5 | |||||
| 544 | N | 26.3 | Very low | 25.6 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | -156.9 | 142.4 | 120 | -104 | -45 | 0 | 0 | 0 | 113.3 | |||||
| 545 | M | 23.6 | Very low | 25.7 | Very low | 157 Ų | 157 | 141 Ų | 141 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 147.9 | 168.8 | -67 | 173.1 | 62.3 | 0 | 0 | 110 | ||
| 546 | I | 25.4 | Very low | 25.8 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 86% | 0.862 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 116.6 | 153.5 | -62.3 | 179.3 | 0 | 0 | 0 | 107.2 | ||
| 547 | K | 24.9 | Very low | 26.5 | Very low | 143 Ų | 143 | 133.8 Ų | 133.8 | 62% | 0.622 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -75 | 147 | 168.3 | -74 | 178.3 | 159.6 | -154.4 | 0 | 109.4 | E549 | K547-E549 HydrophobicContact CB-CG 4.43Å; K547-E549 WeakPolarHBondContact CD-OE1 3.22Å; K547-E549 VanDerWaalsContact CE-OE1 3.26Å; K547-E549 WeakPolarHBondContact CE-OE1 3.18Å; K547-E549 IonicContact NZ-OE1 2.66Å; K547-E549 PolarHBondContact NZ-OE1 3.34Å |
| 548 | D | 26.8 | Very low | 27.8 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | trans | -140 | 100.8 | 161.1 | -152.8 | 5.7 | 0 | 0 | 0 | 108.8 | ||||
| 549 | E | 23.2 | Very low | 29 | Very low | 135 Ų | 135 | 126 Ų | 126 | 63% | 0.631 | 69% | 0.691 | S | S | * | * | trans | -100.8 | 86.2 | -166.8 | -69.7 | 178.9 | 167 | 0 | 0 | 111.2 | K547 | K547-E549 HydrophobicContact CB-CG 4.43Å; K547-E549 WeakPolarHBondContact CD-OE1 3.22Å; K547-E549 VanDerWaalsContact CE-OE1 3.26Å; K547-E549 WeakPolarHBondContact CE-OE1 3.18Å; K547-E549 IonicContact NZ-OE1 2.66Å; K547-E549 PolarHBondContact NZ-OE1 3.34Å | ||
| 550 | N | 28.6 | Very low | 30.1 | Very low | 143 Ų | 143 | 121.2 Ų | 121.2 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | trans | -146.4 | 87.2 | 167.6 | -81.8 | -64.7 | 0 | 0 | 0 | 109.6 | ||||
| 551 | S | 25.9 | Very low | 31.4 | Very low | 99 Ų | 99 | 120.7 Ų | 120.7 | 69% | 0.692 | 66% | 0.662 | S | S | * | * | 84.9 | 88.4 | 78.6 | 72.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 552 | A | 26 | Very low | 32.6 | Very low | 93 Ų | 93 | 121.3 Ų | 121.3 | 77% | 0.769 | 66% | 0.655 | S | S | * | * | trans | 39.3 | 100.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 553 | N | 27.5 | Very low | 34.1 | Very low | 169 Ų | 169 | 120.3 Ų | 120.3 | 90% | 0.904 | 64% | 0.643 | S | S | * | * | trans | -169.2 | 33.3 | 137.5 | -103.3 | -24.3 | 0 | 0 | 0 | 117.1 | ||||
| 554 | C | 26.1 | Very low | 35.3 | Very low | 114 Ų | 114 | 120.1 Ų | 120.1 | 77% | 0.77 | 64% | 0.64 | S | S | * | * | trans | -123.6 | 90.2 | 174.3 | -71.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 555 | R | 26.1 | Very low | 36.3 | Very low | 261 Ų | 261 | 115.9 Ų | 115.9 | 99% | 0.985 | 62% | 0.617 | S | S | * | * | trans | -83.4 | 126.4 | 161 | -70.8 | 178.1 | 172.4 | 175.2 | -2.7 | 108.3 | ||||
| 556 | G | 31.7 | Very low | 37.1 | Very low | 43 Ų | 43 | 117 Ų | 117 | 44% | 0.443 | 62% | 0.62 | S | S | . | * | trans | 132.8 | 8.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | F558 | G556-F558 PolarHBondContact O-N 3.11Å; G556-F558 VanDerWaalsContact O-N 3.17Å | ||
| 557 | S | 39.9 | Very low | 37.7 | Very low | 68 Ų | 68 | 112 Ų | 112 | 48% | 0.476 | 60% | 0.595 | S | S | . | * | trans | -75.9 | 97.6 | 175.2 | 53.1 | 0 | 0 | 0 | 0 | 111.5 | I559 | S557-I559 PolarHBondContact O-N 3.47Š| ||
| 558 | F | 50.2 | Low | 38.1 | Very low | 65 Ų | 65 | 113.8 Ų | 113.8 | 29% | 0.285 | 60% | 0.598 | S | S | . | * | trans | -81.3 | 36.2 | -172.7 | -126.6 | -58.2 | 0 | 0 | 0 | 114.5 | G556 I591 Q592 E594 Y618 | G556-F558 PolarHBondContact O-N 3.11Å; G556-F558 VanDerWaalsContact O-N 3.17Å; F558-I591 WeakPolarHBondContact O-CA 3.43Å; F558-Q592 HydrophobicContact CD1-CB 4.06Å; F558-Q592 WeakPolarHBondContact CD1-O 3.41Å; F558-Q592 HydrophobicContact CE1-CB 3.9Å; F558-Q592 HydrophobicContact CE1-CG 4.49Å; F558-Q592 WeakPolarHBondContact CE1-O 3.4Å; F558-Q592 WeakPolarHBondContact CG-O 3.49Å; F558-Q592 PolarHBondContact O-N 3.41Å; F558-E594 HydrophobicContact CE2-CG 3.76Å; F558-E594 HydrophobicContact CZ-CG 3.77Å; F558-Y618 HydrophobicContact CB-CE1 4.31Å | ||
| 559 | I | 51 | Low | 38.4 | Very low | 39 Ų | 39 | 112.4 Ų | 112.4 | 20% | 0.2 | 59% | 0.586 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.3 | 130.2 | 170.4 | -63.4 | 162 | 0 | 0 | 0 | 108.8 | S557 K561 H589 I591 I626 | S557-I559 PolarHBondContact O-N 3.47Å; I559-K561 VanDerWaalsContact CG2-O 3.23Å; I559-K561 WeakPolarHBondContact CG2-O 3.45Å; I559-H589 HydrophobicContact CG1-CB 4.44Å; I559-H589 HydrophobicContact CG2-CB 4.37Å; I559-I591 HydrophobicContact CG1-CG1 4.22Å; I559-I626 HydrophobicContact CD1-CB 3.7Å; I559-I626 HydrophobicContact CD1-CD1 4.35Å; I559-I626 HydrophobicContact CD1-CG1 4.01Å; I559-I626 HydrophobicContact CG1-CB 4.12Å |
| 560 | T | 49.5 | Very low | 38.9 | Very low | 69 Ų | 69 | 111.6 Ų | 111.6 | 42% | 0.423 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.3 | -35.5 | 174.2 | 64.3 | 0 | 0 | 0 | 0 | 112.3 | E590 Q592 | T560-E590 PolarHBondContact N-O 3.45Å; T560-E590 WeakPolarHBondContact OG1-CB 3.48Å; T560-E590 VanDerWaalsContact OG1-CG 3.3Å; T560-E590 WeakPolarHBondContact OG1-CG 3.33Å; T560-E590 PolarHBondContact OG1-O 2.77Å; T560-E590 VanDerWaalsContact OG1-O 3.05Å; T560-E590 PolarHBondContact OG1-OE2 2.98Å; T560-Q592 HydrophobicContact CG2-CB 4.22Å |
| 561 | K | 52.1 | Low | 39.2 | Very low | 131 Ų | 131 | 108.5 Ų | 108.5 | 57% | 0.57 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -148.5 | 147 | 174.3 | -59.4 | -174.2 | -156.4 | 96.5 | 0 | 111.4 | I559 H589 E590 | I559-K561 VanDerWaalsContact CG2-O 3.23Å; I559-K561 WeakPolarHBondContact CG2-O 3.45Å; K561-H589 WeakPolarHBondContact O-CA 3.43Å; K561-E590 IonicContact NZ-OE2 2.64Å; K561-E590 PolarHBondContact NZ-OE2 3.32Å; K561-E590 PolarHBondContact O-N 3.02Å |
| 562 | S | 50.4 | Low | 39.4 | Very low | 82 Ų | 82 | 107.9 Ų | 107.9 | 57% | 0.573 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.5 | 140.5 | 158 | 50.1 | 0 | 0 | 0 | 0 | 109.6 | E588 | S562-E588 CarbonylContact C-O 3.58Å; S562-E588 VanDerWaalsContact CA-O 3.24Å; S562-E588 WeakPolarHBondContact CA-O 3.31Å |
| 563 | K | 57.2 | Low | 39.7 | Very low | 125 Ų | 125 | 106.9 Ų | 106.9 | 54% | 0.543 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 128.9 | -179.9 | -173.4 | -174.8 | 171.6 | -158.6 | 0 | 110.2 | C587 E588 | K563-C587 CarbonylContact O-C 3.52Å; K563-C587 WeakPolarHBondContact O-CA 3.35Å; K563-E588 HydrophobicContact CB-CB 4.41Å; K563-E588 PolarHBondContact N-O 2.98Å; K563-E588 PolarHBondContact O-N 2.98Å |
| 564 | Q | 48.7 | Very low | 39.9 | Very low | 133 Ų | 133 | 99.9 Ų | 99.9 | 62% | 0.621 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 142.3 | -179.3 | -166.4 | 171.5 | -0.5 | 0 | 0 | 110.2 | L586 | Q564-L586 WeakPolarHBondContact CA-O 3.45Å |
| 565 | L | 48.2 | Very low | 40.2 | Very low | 71 Ų | 71 | 94.4 Ų | 94.4 | 37% | 0.372 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -100.8 | 118.9 | 179.1 | -79.9 | 147.7 | 0 | 0 | 0 | 110.9 | L586 | L565-L586 HydrophobicContact CB-CB 4.39Å; L565-L586 HydrophobicContact CD1-CB 4.28Å; L565-L586 HydrophobicContact CD1-CD2 3.73Å; L565-L586 PolarHBondContact N-O 3.33Å; L565-L586 VanDerWaalsContact N-O 3.1Å |
| 566 | E | 40.4 | Very low | 40.3 | Very low | 180 Ų | 180 | 85.4 Ų | 85.4 | 84% | 0.841 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -90.5 | 162.9 | 171.9 | -71.1 | -169.6 | 159.5 | 0 | 0 | 112 | ||
| 567 | N | 37.4 | Very low | 40.2 | Very low | 64 Ų | 64 | 83.6 Ų | 83.6 | 34% | 0.342 | 42% | 0.418 | S | S | . | . | trans | -137.7 | 113.8 | -159.4 | -88.1 | -36.9 | 0 | 0 | 0 | 108.5 | D1113 E1114 | N567-D1113 VanDerWaalsContact C-CB 3.49Å; N567-D1113 HydrophobicContact CB-CB 3.5Å; N567-D1113 WeakPolarHBondContact OD1-CA 3.29Å; N567-E1114 VanDerWaalsContact ND2-CB 3.26Å; N567-E1114 WeakPolarHBondContact ND2-CB 3.42Å; N567-E1114 PolarHBondContact ND2-OE2 3.49Å; N567-E1114 PolarHBondContact OD1-N 3.37Å | ||
| 568 | R | 33.8 | Very low | 39.6 | Very low | 180 Ų | 180 | 85.5 Ų | 85.5 | 68% | 0.679 | 42% | 0.418 | S | S | * | . | trans | -110.1 | 144.6 | -173.8 | -71.2 | -178.5 | 165.3 | -156.6 | -8.1 | 115.3 | I1040 | R568-I1040 PolarHBondContact NH2-O 2.85Å; R568-I1040 VanDerWaalsContact NH2-O 3.14Å | ||
| 569 | K | 33.2 | Very low | 38.4 | Very low | 97 Ų | 97 | 89 Ų | 89 | 42% | 0.422 | 44% | 0.438 | S | S | . | . | trans | -122.7 | 131.5 | 178 | -57.9 | 176.3 | 172.3 | -162.3 | 0 | 111.8 | D1113 L1141 | K569-D1113 WeakPolarHBondContact CE-OD2 3.39Å; K569-D1113 WeakPolarHBondContact CG-OD2 3.13Å; K569-L1141 HydrophobicContact CB-CB 4.26Å; K569-L1141 HydrophobicContact CB-CD1 3.57Å; K569-L1141 HydrophobicContact CD-CD1 4.33Å | ||
| 570 | D | 33.1 | Very low | 37.1 | Very low | 117 Ų | 117 | 90.7 Ų | 90.7 | 63% | 0.626 | 45% | 0.454 | S | S | * | . | trans | -157.5 | 129 | 172.6 | -115.5 | -40 | 0 | 0 | 0 | 121.5 | L1141 I1142 | D570-L1141 VanDerWaalsContact C-CB 3.45Å; D570-L1141 CarbonylContact C-O 3.57Å; D570-L1141 PolarHBondContact N-O 3.47Å; D570-L1141 VanDerWaalsContact N-O 3.12Å; D570-L1141 CarbonylContact O-C 3.5Å; D570-I1142 PolarHBondContact O-N 2.89Å | ||
| 571 | I | 34.9 | Very low | 36.1 | Very low | 78 Ų | 78 | 94.2 Ų | 94.2 | 40% | 0.4 | 47% | 0.465 | S | S | . | . | S | Bend | trans | 106.4 | 78.6 | 162.1 | -45.7 | 134.2 | 0 | 0 | 0 | 123.1 | K1140 L1141 K1143 | I571-K1140 CarbonylContact C-O 3.55Å; I571-L1141 VanDerWaalsContact N-CD2 3.33Å; I571-K1143 HydrophobicContact CB-CG 4.24Å; I571-K1143 HydrophobicContact CD1-CD 3.95Å; I571-K1143 HydrophobicContact CD1-CG 4.25Å; I571-K1143 HydrophobicContact CG2-CD 4.44Å; I571-K1143 HydrophobicContact CG2-CG 4.13Å |
| 572 | N | 29.8 | Very low | 35.3 | Very low | 87 Ų | 87 | 90 Ų | 90 | 47% | 0.465 | 45% | 0.449 | S | S | . | . | trans | -33.2 | 132.1 | -169.9 | -69.8 | -94.4 | 0 | 0 | 0 | 130 | K1140 | N572-K1140 CarbonylContact C-O 3.58Å; N572-K1140 WeakPolarHBondContact CA-O 3.49Å; N572-K1140 HydrophobicContact CB-CD 4.38Å; N572-K1140 PolarHBondContact N-O 3.04Å; N572-K1140 VanDerWaalsContact OD1-CD 3.31Å; N572-K1140 WeakPolarHBondContact OD1-CD 3.32Å; N572-K1140 WeakPolarHBondContact OD1-CE 3.46Å; N572-K1140 PolarHBondContact OD1-NZ 2.91Å | ||
| 573 | Q | 32.4 | Very low | 34.8 | Very low | 71 Ų | 71 | 89.6 Ų | 89.6 | 33% | 0.332 | 44% | 0.441 | S | S | . | . | -174.7 | 145.7 | 110.6 | -83.3 | 149.4 | 104.9 | 0 | 0 | 112.4 | F1136 K1140 M1151 V1163 | Q573-F1136 CarbonylContact C-O 3.56Å; Q573-F1136 VanDerWaalsContact C-O 3.3Å; Q573-F1136 HydrophobicContact CB-CE2 3.87Å; Q573-F1136 HydrophobicContact CB-CZ 4.16Å; Q573-F1136 WeakPolarHBondContact O-CD2 3.25Å; Q573-F1136 WeakPolarHBondContact O-CE2 3.39Å; Q573-F1136 VanDerWaalsContact O-CG 3.28Å; Q573-F1136 WeakPolarHBondContact O-CG 3.34Å; Q573-F1136 VanDerWaalsContact O-O 3.06Å; Q573-K1140 VanDerWaalsContact CA-CG 3.45Å; Q573-K1140 PolarHBondContact N-O 2.77Å; Q573-K1140 WeakPolarHBondContact O-CA 3.42Å; Q573-K1140 WeakPolarHBondContact O-CG 3.47Å; Q573-M1151 HydrophobicContact CB-CE 3.58Å; Q573-V1163 HydrophobicContact CB-CG1 4.25Å | |||
| 574 | N | 30.8 | Very low | 34.1 | Very low | 22 Ų | 22 | 86.1 Ų | 86.1 | 12% | 0.118 | 43% | 0.425 | C | S | . | . | cis | -150.3 | -25.6 | -19.3 | -69.6 | -45 | 0 | 0 | 0 | 127.2 | F1136 R1137 K1140 R1160 | N574-F1136 CarbonylContact C-O 3.55Å; N574-F1136 VanDerWaalsContact CA-O 3.3Å; N574-F1136 WeakPolarHBondContact CA-O 3.29Å; N574-F1136 HydrophobicContact CB-CD1 4.19Å; N574-F1136 HydrophobicContact CB-CE1 3.49Å; N574-F1136 VanDerWaalsContact CB-CE1 3.49Å; N574-F1136 HydrophobicContact CB-CZ 3.75Å; N574-F1136 VanDerWaalsContact N-CG 3.34Å; N574-F1136 PolarHBondContact N-O 2.96Å; N574-R1137 VanDerWaalsContact C-CG 3.47Å; N574-R1137 PolarHBondContact O-NE 3.15Å; N574-R1137 PolarHBondContact O-NH2 3.43Å; N574-K1140 WeakPolarHBondContact OD1-CE 3.28Å; N574-K1140 PolarHBondContact OD1-NZ 3.36Å; N574-R1160 PolarHBondContact ND2-NH1 3.21Å; N574-R1160 PolarHBondContact ND2-NH2 2.97Å | ||
| 575 | S | 32.6 | Very low | 34.1 | Very low | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 41% | 0.405 | C | S | . | . | trans | -127 | -146.9 | -154.3 | 64.5 | 0 | 0 | 0 | 0 | 129.3 | D1133 F1136 R1137 M1154 T1158 | S575-D1133 WeakPolarHBondContact CB-OD1 3.43Å; S575-D1133 PolarHBondContact OG-OD1 2.69Å; S575-F1136 PolarHBondContact N-O 3.18Å; S575-F1136 WeakPolarHBondContact OG-CD1 3.31Å; S575-R1137 VanDerWaalsContact N-CG 3.32Å; S575-R1137 WeakPolarHBondContact O-CD 3.46Å; S575-R1137 WeakPolarHBondContact O-CG 3.26Å; S575-R1137 PolarHBondContact O-NE 2.79Å; S575-R1137 PolarHBondContact O-NH1 3.17Å; S575-M1154 VanDerWaalsContact C-CE 3.49Å; S575-M1154 WeakPolarHBondContact CA-SD 3.19Å; S575-M1154 PolarHBondContact N-SD 2.97Å; S575-M1154 WeakPolarHBondContact O-CE 3.03Å; S575-M1154 WeakPolarHBondContact OG-CG 3.29Å; S575-M1154 PolarHBondContact OG-O 3.4Å; S575-M1154 PolarHBondContact OG-SD 3.28Å; S575-T1158 WeakPolarHBondContact CB-OG1 3.25Å; S575-T1158 WeakPolarHBondContact OG-CA 3.34Å; S575-T1158 WeakPolarHBondContact OG-CB 3.28Å; S575-T1158 PolarHBondContact OG-N 3Å; S575-T1158 PolarHBondContact OG-OG1 3.26Å | ||
| 576 | T | 29.4 | Very low | 34.4 | Very low | 71 Ų | 71 | 80.5 Ų | 80.5 | 44% | 0.436 | 40% | 0.401 | S | S | . | . | -145.9 | 66.2 | -122.6 | 45.1 | 0 | 0 | 0 | 0 | 124 | D1133 | T576-D1133 CarbonylContact C-O 3.57Å; T576-D1133 VanDerWaalsContact CA-CG 3.41Å; T576-D1133 WeakPolarHBondContact CA-OD2 3.46Å; T576-D1133 WeakPolarHBondContact CB-OD2 3.39Å; T576-D1133 PolarHBondContact N-O 2.89Å; T576-D1133 PolarHBondContact N-OD1 2.75Å; T576-D1133 PolarHBondContact N-OD2 2.94Å; T576-D1133 PolarHBondContact OG1-OD2 3.39Å | |||
| 577 | G | 29 | Very low | 35.2 | Very low | 6 Ų | 6 | 72.8 Ų | 72.8 | 6% | 0.062 | 37% | 0.367 | C | S | . | . | trans | 172.3 | 21.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 124.3 | D1133 E1206 Q1209 | G577-D1133 PolarHBondContact N-O 3.22Å; G577-D1133 PolarHBondContact N-OD2 3.21Å; G577-E1206 VanDerWaalsContact O-CD 3.31Å; G577-E1206 WeakPolarHBondContact O-CG 3.42Å; G577-Q1209 PolarHBondContact O-NE2 2.77Å; G577-Q1209 PolarHBondContact O-OE1 2.73Å | ||
| 578 | F | 26.9 | Very low | 36.5 | Very low | 107 Ų | 107 | 72.6 Ų | 72.6 | 47% | 0.469 | 36% | 0.364 | S | S | . | . | 52.2 | 123.9 | 103.5 | -85.5 | -92.1 | 0 | 0 | 0 | 118.6 | D1133 S1134 E1206 | F578-D1133 WeakPolarHBondContact CD2-O 3.08Å; F578-S1134 WeakPolarHBondContact CA-OG 3.19Å; F578-S1134 PolarHBondContact N-OG 3Å; F578-E1206 PolarHBondContact N-OE1 2.98Å | |||
| 579 | I | 25.2 | Very low | 38 | Very low | 138 Ų | 138 | 64.1 Ų | 64.1 | 71% | 0.708 | 33% | 0.332 | S | S | * | . | 166.3 | 125.8 | 124.7 | -87.3 | 152.6 | 0 | 0 | 0 | 109.3 | E1131 | I579-E1131 PolarHBondContact N-OE2 3.06Š| |||
| 580 | S | 24.9 | Very low | 39.7 | Very low | 76 Ų | 76 | 63.4 Ų | 63.4 | 53% | 0.531 | 33% | 0.33 | S | S | . | . | cis | -178.5 | 160 | -2.6 | 59.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 581 | Q | 28.7 | Very low | 41.4 | Very low | 142 Ų | 142 | 58.1 Ų | 58.1 | 66% | 0.664 | 30% | 0.302 | S | S | * | . | trans | -179.8 | 110.5 | 144.6 | -100.7 | 147.1 | 87 | 0 | 0 | 115.9 | ||||
| 582 | D | 33.7 | Very low | 43.2 | Very low | 43 Ų | 43 | 59.8 Ų | 59.8 | 23% | 0.23 | 31% | 0.308 | C | S | . | . | trans | 52.1 | 132 | 151.7 | -66.4 | 12.1 | 0 | 0 | 0 | 123.5 | K516 Y584 | K516-D582 WeakPolarHBondContact CD-OD2 3.41Å; K516-D582 VanDerWaalsContact CE-OD1 3.26Å; K516-D582 WeakPolarHBondContact CE-OD1 3.48Å; K516-D582 IonicContact NZ-OD1 3.93Å; K516-D582 PolarHBondContact NZ-OD1 3.3Å; K516-D582 IonicContact NZ-OD2 3.98Å; D582-Y584 HydrophobicContact CB-CD2 4.49Å; D582-Y584 HydrophobicContact CB-CE2 3.66Å; D582-Y584 WeakPolarHBondContact O-CD2 3.47Å; D582-Y584 VanDerWaalsContact O-CE2 3.29Å; D582-Y584 WeakPolarHBondContact O-CE2 3.44Å | ||
| 583 | N | 40 | Very low | 45.2 | Very low | 74 Ų | 74 | 56 Ų | 56 | 40% | 0.396 | 29% | 0.288 | S | S | . | . | trans | -70.4 | 126.5 | 164.8 | -79.5 | -17.2 | 0 | 0 | 0 | 111.1 | E515 K1115 | E515-N583 HydrophobicContact CG-CB 4.34Å; E515-N583 PolarHBondContact N-O 3.16Å; E515-N583 VanDerWaalsContact OE2-CB 3.23Å; E515-N583 WeakPolarHBondContact OE2-CB 3.36Å; E515-N583 PolarHBondContact OE2-ND2 3.33Å; N583-K1115 WeakPolarHBondContact OD1-CE 3.48Å; N583-K1115 PolarHBondContact OD1-NZ 2.76Å | ||
| 584 | Y | 43.5 | Very low | 47 | Very low | 52 Ų | 52 | 58.9 Ų | 58.9 | 20% | 0.204 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 163 | 165.1 | -57.2 | -91.2 | 0 | 0 | 0 | 110.6 | Y495 I513 D582 | Y495-Y584 HydrophobicContact CD1-CE1 4.16Å; Y495-Y584 AromaticContact CE1-CE1 3.78Å; Y495-Y584 HydrophobicContact CE1-CE1 3.78Å; Y495-Y584 WeakPolarHBondContact CE2-OH 3.47Å; Y495-Y584 PolarHBondContact OH-OH 2.74Å; I513-Y584 CarbonylContact O-C 3.58Å; I513-Y584 WeakPolarHBondContact O-CA 3.4Å; D582-Y584 HydrophobicContact CB-CD2 4.49Å; D582-Y584 HydrophobicContact CB-CE2 3.66Å; D582-Y584 WeakPolarHBondContact O-CD2 3.47Å; D582-Y584 VanDerWaalsContact O-CE2 3.29Å; D582-Y584 WeakPolarHBondContact O-CE2 3.44Å |
| 585 | S | 47.8 | Very low | 49.2 | Very low | 31 Ų | 31 | 60.6 Ų | 60.6 | 22% | 0.217 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 129 | 167.6 | 54.5 | 0 | 0 | 0 | 0 | 109.9 | I513 | I513-S585 PolarHBondContact N-O 3.44Å; I513-S585 PolarHBondContact O-N 3.02Å; I513-S585 PolarHBondContact O-OG 3.07Å |
| 586 | L | 54 | Low | 51.3 | Low | 55 Ų | 55 | 66 Ų | 66 | 29% | 0.288 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 126.4 | -179.8 | -142.7 | 84.4 | 0 | 0 | 0 | 110.7 | A512 Q564 L565 | A512-L586 HydrophobicContact CB-CD1 3.99Å; Q564-L586 WeakPolarHBondContact CA-O 3.45Å; L565-L586 HydrophobicContact CB-CB 4.39Å; L565-L586 HydrophobicContact CD1-CB 4.28Å; L565-L586 HydrophobicContact CD1-CD2 3.73Å; L565-L586 PolarHBondContact N-O 3.33Å; L565-L586 VanDerWaalsContact N-O 3.1Å |
| 587 | C | 58 | Low | 53.4 | Low | 17 Ų | 17 | 63.1 Ų | 63.1 | 12% | 0.115 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 134.6 | 171.3 | -68.1 | 0 | 0 | 0 | 0 | 110.6 | F510 T511 K563 | F510-C587 CarbonylContact C-O 3.44Å; F510-C587 WeakPolarHBondContact CA-O 3.49Å; T511-C587 PolarHBondContact N-O 3.1Å; T511-C587 PolarHBondContact O-N 3.13Å; K563-C587 CarbonylContact O-C 3.52Å; K563-C587 WeakPolarHBondContact O-CA 3.35Å |
| 588 | E | 65.2 | Low | 55.9 | Low | 61 Ų | 61 | 68.3 Ų | 68.3 | 29% | 0.285 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 123.8 | 169.6 | 171.4 | -174.4 | -155.9 | 0 | 0 | 108.9 | V509 F510 S562 K563 | V509-E588 CarbonylContact O-C 3.58Å; V509-E588 WeakPolarHBondContact O-CA 3.28Å; F510-E588 HydrophobicContact CD1-CB 4.02Å; F510-E588 HydrophobicContact CD1-CG 4.31Å; F510-E588 HydrophobicContact CE1-CB 3.87Å; F510-E588 HydrophobicContact CE1-CG 3.74Å; F510-E588 HydrophobicContact CZ-CG 4.35Å; S562-E588 CarbonylContact C-O 3.58Å; S562-E588 VanDerWaalsContact CA-O 3.24Å; S562-E588 WeakPolarHBondContact CA-O 3.31Å; K563-E588 HydrophobicContact CB-CB 4.41Å; K563-E588 PolarHBondContact N-O 2.98Å; K563-E588 PolarHBondContact O-N 2.98Å |
| 589 | H | 65.4 | Low | 58.1 | Low | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118 | 175.5 | -56.4 | 92.4 | 0 | 0 | 0 | 111.3 | A508 V509 I559 K561 I591 G624 I626 | A508-H589 CarbonylContact C-O 3.57Å; A508-H589 WeakPolarHBondContact CA-O 3.48Å; V509-H589 HydrophobicContact CB-CB 4.28Å; V509-H589 PolarHBondContact N-O 3.27Å; V509-H589 PolarHBondContact O-N 2.92Å; I559-H589 HydrophobicContact CG1-CB 4.44Å; I559-H589 HydrophobicContact CG2-CB 4.37Å; K561-H589 WeakPolarHBondContact O-CA 3.43Å; H589-I591 PolarHBondContact O-N 3.22Å; H589-G624 PolarHBondContact NE2-O 3.49Å; H589-I626 HydrophobicContact CB-CD1 4.2Å |
| 590 | E | 67.9 | Low | 60.8 | Low | 83 Ų | 83 | 59.1 Ų | 59.1 | 39% | 0.388 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 108 | 173.4 | -174.4 | 177.3 | -156.9 | 0 | 0 | 109 | T560 K561 | T560-E590 PolarHBondContact N-O 3.45Å; T560-E590 WeakPolarHBondContact OG1-CB 3.48Å; T560-E590 VanDerWaalsContact OG1-CG 3.3Å; T560-E590 WeakPolarHBondContact OG1-CG 3.33Å; T560-E590 PolarHBondContact OG1-O 2.77Å; T560-E590 VanDerWaalsContact OG1-O 3.05Å; T560-E590 PolarHBondContact OG1-OE2 2.98Å; K561-E590 IonicContact NZ-OE2 2.64Å; K561-E590 PolarHBondContact NZ-OE2 3.32Å; K561-E590 PolarHBondContact O-N 3.02Å |
| 591 | I | 69.3 | Low | 63.2 | Low | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 134.1 | 176.7 | -66.8 | -177.9 | 0 | 0 | 0 | 109.8 | S506 L507 V509 F558 I559 H589 V593 I626 | S506-I591 WeakPolarHBondContact CA-O 3.34Å; L507-I591 HydrophobicContact CB-CB 4.22Å; L507-I591 PolarHBondContact N-O 3.18Å; L507-I591 WeakPolarHBondContact O-CA 2.93Å; L507-I591 PolarHBondContact O-N 3.14Å; V509-I591 HydrophobicContact CG2-CD1 3.56Å; V509-I591 HydrophobicContact CG2-CG1 4.21Å; F558-I591 WeakPolarHBondContact O-CA 3.43Å; I559-I591 HydrophobicContact CG1-CG1 4.22Å; H589-I591 PolarHBondContact O-N 3.22Å; I591-V593 HydrophobicContact CG2-CG2 4.2Å; I591-I626 HydrophobicContact CD1-CD1 3.86Å; I591-I626 HydrophobicContact CD1-CG2 4.21Å |
| 592 | Q | 72.1 | Confident | 65.5 | Low | 112 Ų | 112 | 53.8 Ų | 53.8 | 52% | 0.523 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 157.6 | 170.1 | -162.2 | 165.2 | 19.5 | 0 | 0 | 109.9 | F558 T560 | F558-Q592 HydrophobicContact CD1-CB 4.06Å; F558-Q592 WeakPolarHBondContact CD1-O 3.41Å; F558-Q592 HydrophobicContact CE1-CB 3.9Å; F558-Q592 HydrophobicContact CE1-CG 4.49Å; F558-Q592 WeakPolarHBondContact CE1-O 3.4Å; F558-Q592 WeakPolarHBondContact CG-O 3.49Å; F558-Q592 PolarHBondContact O-N 3.41Å; T560-Q592 HydrophobicContact CG2-CB 4.22Å |
| 593 | V | 73 | Confident | 67.2 | Low | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | trans | -137 | 142.1 | -171.4 | 179 | 0 | 0 | 0 | 0 | 110 | R505 L507 I591 D595 I597 Y609 | R505-V593 WeakPolarHBondContact CB-O 3.1Å; R505-V593 PolarHBondContact O-N 2.93Å; L507-V593 HydrophobicContact CD1-CG2 4.46Å; I591-V593 HydrophobicContact CG2-CG2 4.2Å; V593-D595 WeakPolarHBondContact CG1-O 3.46Å; V593-I597 HydrophobicContact CB-CD1 4.24Å; V593-I597 HydrophobicContact CB-CG1 4.46Å; V593-I597 HydrophobicContact CG1-CD1 4.49Å; V593-I597 HydrophobicContact CG1-CG1 4.19Å; V593-I597 HydrophobicContact CG2-CD1 4.03Å; V593-Y609 HydrophobicContact CB-CE1 4.45Å; V593-Y609 HydrophobicContact CG1-CD1 4.23Å; V593-Y609 HydrophobicContact CG1-CD2 4.31Å; V593-Y609 HydrophobicContact CG1-CE1 3.51Å; V593-Y609 HydrophobicContact CG1-CE2 3.64Å; V593-Y609 WeakPolarHBondContact CG1-OH 3.37Å; V593-Y609 HydrophobicContact CG2-CD1 4.37Å; V593-Y609 HydrophobicContact CG2-CE1 4.07Å | ||
| 594 | E | 70 | Confident | 68.6 | Low | 133 Ų | 133 | 56.2 Ų | 56.2 | 62% | 0.621 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -73.5 | -37.4 | -179.2 | -62.5 | -171 | 169.8 | 0 | 0 | 112.4 | R505 F558 | R505-E594 WeakPolarHBondContact CD-O 3.48Å; R505-E594 PolarHBondContact NE-O 2.91Å; R505-E594 PolarHBondContact NH1-O 3.45Å; F558-E594 HydrophobicContact CE2-CG 3.76Å; F558-E594 HydrophobicContact CZ-CG 3.77Å |
| 595 | D | 76.3 | Confident | 70.1 | Confident | 57 Ų | 57 | 57.4 Ų | 57.4 | 31% | 0.305 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -103.6 | 161.7 | -174.5 | -86 | -42.2 | 0 | 0 | 0 | 114.9 | R505 V593 I597 N611 | R505-D595 WeakPolarHBondContact CG-O 3.42Å; V593-D595 WeakPolarHBondContact CG1-O 3.46Å; D595-I597 PolarHBondContact O-N 2.89Å; D595-N611 HydrophobicContact CB-CB 3.7Å; D595-N611 VanDerWaalsContact CG-ND2 3.31Å; D595-N611 PolarHBondContact OD2-ND2 3.41Å |
| 596 | Q | 76.9 | Confident | 71.6 | Confident | 114 Ų | 114 | 56 Ų | 56 | 53% | 0.533 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 120 | 172.7 | -175.3 | -179.7 | 6.8 | 0 | 0 | 111.2 | P504 N611 | P504-Q596 WeakPolarHBondContact O-CA 3.35Å; Q596-N611 VanDerWaalsContact O-CA 3.24Å; Q596-N611 WeakPolarHBondContact O-CA 3.3Å; Q596-N611 WeakPolarHBondContact O-CB 3.34Å |
| 597 | I | 74.6 | Confident | 72.9 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 126.1 | 179.5 | -62.2 | 160.9 | 0 | 0 | 0 | 110 | P504 L507 V593 D595 V600 Y609 | P504-I597 PolarHBondContact O-N 2.86Å; L507-I597 HydrophobicContact CD2-CD1 3.84Å; L507-I597 HydrophobicContact CG-CD1 4.01Å; V593-I597 HydrophobicContact CB-CD1 4.24Å; V593-I597 HydrophobicContact CB-CG1 4.46Å; V593-I597 HydrophobicContact CG1-CD1 4.49Å; V593-I597 HydrophobicContact CG1-CG1 4.19Å; V593-I597 HydrophobicContact CG2-CD1 4.03Å; D595-I597 PolarHBondContact O-N 2.89Å; I597-V600 HydrophobicContact CG2-CG2 3.26Å; I597-Y609 HydrophobicContact CG1-CD2 4.34Å |
| 598 | K | 79.8 | Confident | 74.2 | Confident | 115 Ų | 115 | 53 Ų | 53 | 50% | 0.5 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -113.6 | -22.7 | 175.1 | -66.1 | -170.4 | -174.1 | 167.8 | 0 | 114.2 | W610 N611 | K598-W610 WeakPolarHBondContact CA-O 3.47Å; K598-W610 HydrophobicContact CB-CE3 3.78Å; K598-W610 HydrophobicContact CB-CZ3 4.03Å; K598-W610 WeakPolarHBondContact CB-O 3.4Å; K598-W610 HydrophobicContact CD-CZ3 4.42Å; K598-W610 PolarHBondContact N-O 3.45Å; K598-N611 VanDerWaalsContact CD-O 3.26Å; K598-N611 WeakPolarHBondContact CD-O 3.47Å; K598-N611 WeakPolarHBondContact CE-O 2.98Å; K598-N611 PolarHBondContact NZ-O 3.16Å |
| 599 | A | 74.7 | Confident | 75.2 | Confident | 15 Ų | 15 | 50.3 Ų | 50.3 | 12% | 0.124 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 150.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y601 Y609 W610 L638 | A599-Y601 HydrophobicContact CB-CE2 4.09Å; A599-Y609 CarbonylContact O-C 2.7Å; A599-Y609 VanDerWaalsContact O-CA 3.26Å; A599-Y609 WeakPolarHBondContact O-CA 3.46Å; A599-W610 HydrophobicContact CB-CB 4.36Å; A599-W610 HydrophobicContact CB-CE3 4.21Å; A599-W610 PolarHBondContact N-O 3.44Å; A599-W610 PolarHBondContact O-N 3.01Å; A599-L638 HydrophobicContact CB-CB 4.5Å |
| 600 | V | 80.6 | Confident | 76.2 | Confident | 37 Ų | 37 | 51.8 Ų | 51.8 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 138.2 | 178.2 | -170.4 | 0 | 0 | 0 | 0 | 108.4 | V499 L507 I597 V607 A608 | V499-V600 HydrophobicContact CG1-CG1 3.83Å; L507-V600 HydrophobicContact CD1-CG1 4.31Å; L507-V600 HydrophobicContact CD2-CG1 4.22Å; L507-V600 HydrophobicContact CD2-CG2 3.87Å; I597-V600 HydrophobicContact CG2-CG2 3.26Å; V600-V607 HydrophobicContact CG1-CG1 4.5Å; V600-A608 CarbonylContact C-O 3.58Å; V600-A608 WeakPolarHBondContact CA-O 3.43Å |
| 601 | Y | 76 | Confident | 76.9 | Confident | 63 Ų | 63 | 48.6 Ų | 48.6 | 25% | 0.247 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 144.8 | 171.4 | -66.8 | -86.7 | 0 | 0 | 0 | 109.7 | A599 A608 L638 V639 M641 | A599-Y601 HydrophobicContact CB-CE2 4.09Å; Y601-A608 PolarHBondContact N-O 2.95Å; Y601-A608 PolarHBondContact O-N 2.86Å; Y601-L638 HydrophobicContact CD2-CD1 4.42Å; Y601-L638 HydrophobicContact CD2-CD2 3.81Å; Y601-L638 HydrophobicContact CD2-CG 3.71Å; Y601-L638 HydrophobicContact CE2-CD2 4.34Å; Y601-L638 HydrophobicContact CE2-CG 3.88Å; Y601-V639 WeakPolarHBondContact CE1-O 3.09Å; Y601-V639 WeakPolarHBondContact OH-CA 3.22Å; Y601-V639 PolarHBondContact OH-O 3.32Å; Y601-V639 VanDerWaalsContact OH-O 3.09Å; Y601-M641 VanDerWaalsContact O-CE 3.28Å; Y601-M641 WeakPolarHBondContact O-CE 3.46Å |
| 602 | C | 76.3 | Confident | 77.6 | Confident | 44 Ų | 44 | 48.7 Ų | 48.7 | 30% | 0.297 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 158.6 | 173.4 | 57.7 | 0 | 0 | 0 | 0 | 111.8 | C497 V499 H606 V607 | C497-C602 PolarHBondContact O-SG 3.45Å; C497-C602 VanDerWaalsContact O-SG 3.4Å; V499-C602 HydrophobicContact CB-CB 4.4Å; V499-C602 HydrophobicContact CG2-CB 3.57Å; C602-H606 CarbonylContact C-O 3.51Å; C602-H606 WeakPolarHBondContact CA-O 3.25Å; C602-V607 HydrophobicContact CB-CG2 4.37Å |
| 603 | T | 70.4 | Confident | 78.2 | Confident | 24 Ų | 24 | 49.1 Ų | 49.1 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | trans | -134 | 175.6 | 163.6 | 64.2 | 0 | 0 | 0 | 0 | 107.7 | E605 H606 M641 | T603-E605 PolarHBondContact O-N 3.01Å; T603-H606 PolarHBondContact N-O 3.2Å; T603-H606 PolarHBondContact O-N 3.13Å; T603-H606 PolarHBondContact OG1-N 3.45Å; T603-M641 HydrophobicContact CG2-CB 4.34Å; T603-M641 HydrophobicContact CG2-CE 3.91Å; T603-M641 HydrophobicContact CG2-CG 3.87Å | ||
| 604 | Q | 68.7 | Low | 78.8 | Confident | 144 Ų | 144 | 52.5 Ų | 52.5 | 67% | 0.673 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -56.9 | -21.3 | 179.9 | -67.8 | 169.9 | -29.6 | 0 | 0 | 114.6 | ||
| 605 | E | 74.4 | Confident | 79.6 | Confident | 76 Ų | 76 | 46.1 Ų | 46.1 | 36% | 0.355 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -120.7 | -19.1 | 177.8 | -74.2 | -171.7 | -169.9 | 0 | 0 | 114.4 | T603 K619 Q620 Y644 | T603-E605 PolarHBondContact O-N 3.01Å; E605-K619 CarbonylContact O-C 3.54Å; E605-K619 VanDerWaalsContact O-CA 3.31Å; E605-K619 WeakPolarHBondContact O-CA 3.28Å; E605-K619 WeakPolarHBondContact OE2-CE 3.4Å; E605-K619 IonicContact OE2-NZ 3.81Å; E605-K619 PolarHBondContact OE2-NZ 2.88Å; E605-Q620 PolarHBondContact O-N 3.04Å; E605-Y644 PolarHBondContact OE2-OH 2.93Å |
| 606 | H | 80.2 | Confident | 80.1 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 145.9 | -167.5 | -55.6 | 93.2 | 0 | 0 | 0 | 112.7 | C602 T603 V617 Y618 M641 Y644 | C602-H606 CarbonylContact C-O 3.51Å; C602-H606 WeakPolarHBondContact CA-O 3.25Å; T603-H606 PolarHBondContact N-O 3.2Å; T603-H606 PolarHBondContact O-N 3.13Å; T603-H606 PolarHBondContact OG1-N 3.45Å; H606-V617 HydrophobicContact CB-CG1 4.49Å; H606-Y618 CarbonylContact C-O 3.59Å; H606-Y618 WeakPolarHBondContact CA-O 3.27Å; H606-M641 HydrophobicContact CB-CE 3.91Å; H606-M641 HydrophobicContact CB-SD 4.19Å; H606-M641 WeakPolarHBondContact O-CE 3.08Å; H606-Y644 AromaticContact CE1-CD1 3.88Å; H606-Y644 AromaticContact CE1-CE1 3.49Å; H606-Y644 VanDerWaalsContact CE1-CE1 3.49Å; H606-Y644 WeakPolarHBondContact CE1-CE1 3.26Å |
| 607 | V | 80.6 | Confident | 80.6 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 6% | 0.055 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.6 | 169.8 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | V499 L507 V600 C602 Y618 | V499-V607 HydrophobicContact CG1-CG1 4.46Å; V499-V607 HydrophobicContact CG2-CG1 4.23Å; V499-V607 HydrophobicContact CG2-CG2 3.92Å; L507-V607 HydrophobicContact CD1-CG1 4.34Å; V600-V607 HydrophobicContact CG1-CG1 4.5Å; C602-V607 HydrophobicContact CB-CG2 4.37Å; V607-Y618 PolarHBondContact N-O 3.09Å; V607-Y618 PolarHBondContact O-N 3.34Å |
| 608 | A | 85.3 | Confident | 81 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V600 Y601 I615 F616 V617 M641 L646 | V600-A608 CarbonylContact C-O 3.58Å; V600-A608 WeakPolarHBondContact CA-O 3.43Å; Y601-A608 PolarHBondContact N-O 2.95Å; Y601-A608 PolarHBondContact O-N 2.86Å; A608-I615 HydrophobicContact CB-CG2 4.49Å; A608-F616 CarbonylContact C-O 3.45Å; A608-F616 WeakPolarHBondContact CA-O 3.48Å; A608-V617 HydrophobicContact CB-CG2 4.29Å; A608-M641 HydrophobicContact CB-CE 3.96Å; A608-M641 HydrophobicContact CB-SD 3.57Å; A608-M641 VanDerWaalsContact CB-SD 3.57Å; A608-L646 HydrophobicContact CB-CD2 3.76Å |
| 609 | Y | 86 | Confident | 80.8 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 154.7 | 171.1 | 77.8 | -100.5 | 0 | 0 | 0 | 111.3 | V593 I597 A599 I615 F616 Y618 | V593-Y609 HydrophobicContact CB-CE1 4.45Å; V593-Y609 HydrophobicContact CG1-CD1 4.23Å; V593-Y609 HydrophobicContact CG1-CD2 4.31Å; V593-Y609 HydrophobicContact CG1-CE1 3.51Å; V593-Y609 HydrophobicContact CG1-CE2 3.64Å; V593-Y609 WeakPolarHBondContact CG1-OH 3.37Å; V593-Y609 HydrophobicContact CG2-CD1 4.37Å; V593-Y609 HydrophobicContact CG2-CE1 4.07Å; I597-Y609 HydrophobicContact CG1-CD2 4.34Å; A599-Y609 CarbonylContact O-C 2.7Å; A599-Y609 VanDerWaalsContact O-CA 3.26Å; A599-Y609 WeakPolarHBondContact O-CA 3.46Å; Y609-I615 WeakPolarHBondContact O-CA 3.36Å; Y609-F616 HydrophobicContact CD1-CB 4.15Å; Y609-F616 HydrophobicContact CD2-CD2 4.06Å; Y609-F616 HydrophobicContact CE1-CB 3.66Å; Y609-F616 HydrophobicContact CE1-CD2 4.19Å; Y609-F616 HydrophobicContact CE1-CG 4.03Å; Y609-F616 HydrophobicContact CE2-CB 4.23Å; Y609-F616 AromaticContact CE2-CD2 3.25Å; Y609-F616 HydrophobicContact CE2-CD2 3.25Å; Y609-F616 AromaticContact CE2-CE2 3.69Å; Y609-F616 HydrophobicContact CE2-CE2 3.69Å; Y609-F616 AromaticContact CE2-CG 3.94Å; Y609-F616 HydrophobicContact CE2-CG 3.94Å; Y609-F616 AromaticContact CZ-CD2 3.3Å; Y609-F616 AromaticContact CZ-CE2 3.87Å; Y609-F616 AromaticContact CZ-CG 3.48Å; Y609-F616 VanDerWaalsContact CZ-CG 3.48Å; Y609-F616 PolarHBondContact N-O 3.41Å; Y609-F616 PolarHBondContact O-N 3.31Å; Y609-F616 VanDerWaalsContact OH-CD2 3.26Å; Y609-F616 WeakPolarHBondContact OH-CD2 3.45Å; Y609-F616 WeakPolarHBondContact OH-CE2 3.42Å; Y609-F616 VanDerWaalsContact OH-CG 3.28Å; Y609-F616 WeakPolarHBondContact OH-CG 3.29Å; Y609-Y618 AromaticContact CD1-CE2 3.91Å; Y609-Y618 HydrophobicContact CD1-CE2 3.91Å; Y609-Y618 AromaticContact CE1-CE2 3.52Å; Y609-Y618 HydrophobicContact CE1-CE2 3.52Å; Y609-Y618 AromaticContact CE1-CZ 3.99Å |
| 610 | W | 86.5 | Confident | 80.6 | Confident | 32 Ų | 32 | 38 Ų | 38 | 12% | 0.121 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.4 | 175.6 | 176.9 | 64.2 | 0 | 0 | 0 | 110.3 | K598 A599 G612 H614 I615 C634 F636 K637 L638 | K598-W610 WeakPolarHBondContact CA-O 3.47Å; K598-W610 HydrophobicContact CB-CE3 3.78Å; K598-W610 HydrophobicContact CB-CZ3 4.03Å; K598-W610 WeakPolarHBondContact CB-O 3.4Å; K598-W610 HydrophobicContact CD-CZ3 4.42Å; K598-W610 PolarHBondContact N-O 3.45Å; A599-W610 HydrophobicContact CB-CB 4.36Å; A599-W610 HydrophobicContact CB-CE3 4.21Å; A599-W610 PolarHBondContact N-O 3.44Å; A599-W610 PolarHBondContact O-N 3.01Å; W610-G612 VanDerWaalsContact CZ2-CA 3.41Å; W610-G612 WeakPolarHBondContact CZ2-O 3.21Å; W610-H614 WeakPolarHBondContact CA-O 3.03Å; W610-H614 VanDerWaalsContact CD1-O 3.23Å; W610-I615 HydrophobicContact CB-CG1 4.15Å; W610-I615 HydrophobicContact CG-CG1 4.2Å; W610-C634 PolarHBondContact NE1-O 2.64Å; W610-F636 WeakPolarHBondContact CZ2-O 3.34Å; W610-F636 PolarHBondContact NE1-O 2.71Å; W610-K637 HydrophobicContact CH2-CB 4.12Å; W610-K637 HydrophobicContact CH2-CG 4.33Å; W610-K637 HydrophobicContact CZ3-CB 4.35Å; W610-K637 HydrophobicContact CZ3-CG 4.07Å; W610-L638 HydrophobicContact CB-CB 3.63Å; W610-L638 HydrophobicContact CB-CD2 3.78Å; W610-L638 HydrophobicContact CB-CG 4.36Å; W610-L638 HydrophobicContact CD2-CB 4.36Å; W610-L638 HydrophobicContact CG-CB 3.94Å |
| 611 | N | 83.7 | Confident | 79.8 | Confident | 17 Ų | 17 | 38 Ų | 38 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | trans | -96.3 | -5.5 | 179 | 71.7 | 5.1 | 0 | 0 | 0 | 114 | D595 Q596 K598 H613 H614 | D595-N611 HydrophobicContact CB-CB 3.7Å; D595-N611 VanDerWaalsContact CG-ND2 3.31Å; D595-N611 PolarHBondContact OD2-ND2 3.41Å; Q596-N611 VanDerWaalsContact O-CA 3.24Å; Q596-N611 WeakPolarHBondContact O-CA 3.3Å; Q596-N611 WeakPolarHBondContact O-CB 3.34Å; K598-N611 VanDerWaalsContact CD-O 3.26Å; K598-N611 WeakPolarHBondContact CD-O 3.47Å; K598-N611 WeakPolarHBondContact CE-O 2.98Å; K598-N611 PolarHBondContact NZ-O 3.16Å; N611-H613 WeakPolarHBondContact OD1-CA 3.27Å; N611-H613 PolarHBondContact OD1-N 3.24Å; N611-H614 PolarHBondContact N-O 2.87Å; N611-H614 VanDerWaalsContact N-O 3.09Å; N611-H614 PolarHBondContact OD1-N 2.91Å; N611-H614 PolarHBondContact OD1-O 2.92Å | ||
| 612 | G | 82.7 | Confident | 78.8 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 7% | 0.072 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 112.8 | -22.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | W610 | W610-G612 VanDerWaalsContact CZ2-CA 3.41Å; W610-G612 WeakPolarHBondContact CZ2-O 3.21Å |
| 613 | H | 85 | Confident | 77.6 | Confident | 122 Ų | 122 | 47.5 Ų | 47.5 | 57% | 0.565 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -137.7 | -22.7 | -173.8 | -61.3 | -40.9 | 0 | 0 | 0 | 113.8 | N611 S633 C634 | N611-H613 WeakPolarHBondContact OD1-CA 3.27Å; N611-H613 PolarHBondContact OD1-N 3.24Å; H613-S633 CarbonylContact O-C 3.41Å; H613-S633 WeakPolarHBondContact O-CA 3.48Å; H613-C634 CarbonylContact C-O 3.41Å; H613-C634 VanDerWaalsContact C-O 3.26Å; H613-C634 WeakPolarHBondContact CA-O 3.25Å; H613-C634 CarbonylContact O-C 3.52Å; H613-C634 PolarHBondContact O-N 2.72Å |
| 614 | H | 86.4 | Confident | 76.9 | Confident | 77 Ų | 77 | 47 Ų | 47 | 36% | 0.356 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 144.9 | 178.8 | -71.5 | -104.4 | 0 | 0 | 0 | 110.2 | W610 N611 F616 F632 | W610-H614 WeakPolarHBondContact CA-O 3.03Å; W610-H614 VanDerWaalsContact CD1-O 3.23Å; N611-H614 PolarHBondContact N-O 2.87Å; N611-H614 VanDerWaalsContact N-O 3.09Å; N611-H614 PolarHBondContact OD1-N 2.91Å; N611-H614 PolarHBondContact OD1-O 2.92Å; H614-F616 HydrophobicContact CB-CD2 4.16Å; H614-F616 HydrophobicContact CB-CE2 3.53Å; H614-F616 HydrophobicContact CB-CZ 4Å; H614-F632 CarbonylContact C-O 3.26Å; H614-F632 VanDerWaalsContact CA-O 3.31Å; H614-F632 WeakPolarHBondContact CA-O 3.38Å |
| 615 | I | 86.8 | Confident | 76.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 131.6 | 165.8 | -63.1 | 168 | 0 | 0 | 0 | 107 | A608 Y609 W610 V617 S631 F632 C634 L638 L646 T648 | A608-I615 HydrophobicContact CB-CG2 4.49Å; Y609-I615 WeakPolarHBondContact O-CA 3.36Å; W610-I615 HydrophobicContact CB-CG1 4.15Å; W610-I615 HydrophobicContact CG-CG1 4.2Å; I615-V617 HydrophobicContact CG2-CG2 4.3Å; I615-S631 CarbonylContact O-C 3.54Å; I615-S631 VanDerWaalsContact O-CA 3.31Å; I615-S631 WeakPolarHBondContact O-CA 3.32Å; I615-F632 HydrophobicContact CB-CD2 4.45Å; I615-F632 HydrophobicContact CB-CE1 4.07Å; I615-F632 HydrophobicContact CB-CE2 3.94Å; I615-F632 HydrophobicContact CB-CZ 3.73Å; I615-F632 HydrophobicContact CD1-CE2 3.69Å; I615-F632 HydrophobicContact CD1-CZ 3.76Å; I615-F632 HydrophobicContact CG1-CE2 4.24Å; I615-F632 HydrophobicContact CG1-CZ 4.29Å; I615-F632 HydrophobicContact CG2-CE1 4.05Å; I615-F632 HydrophobicContact CG2-CZ 3.91Å; I615-F632 PolarHBondContact N-O 2.83Å; I615-F632 PolarHBondContact O-N 3.28Å; I615-C634 HydrophobicContact CD1-CB 3.63Å; I615-C634 HydrophobicContact CG1-CB 3.88Å; I615-L638 HydrophobicContact CD1-CB 4.16Å; I615-L638 HydrophobicContact CD1-CD1 4.03Å; I615-L638 HydrophobicContact CD1-CG 4.49Å; I615-L638 HydrophobicContact CG1-CB 4.41Å; I615-L638 HydrophobicContact CG1-CD2 4.46Å; I615-L638 HydrophobicContact CG2-CD2 4.32Å; I615-L646 HydrophobicContact CG2-CD1 4.18Å; I615-L646 HydrophobicContact CG2-CD2 4.49Å; I615-T648 HydrophobicContact CD1-CG2 3.58Å |
| 616 | F | 87.2 | Confident | 76.2 | Confident | 30 Ų | 30 | 43.7 Ų | 43.7 | 13% | 0.132 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 138.2 | 175.7 | -59.3 | -106.2 | 0 | 0 | 0 | 108.3 | A608 Y609 H614 Y618 S631 | A608-F616 CarbonylContact C-O 3.45Å; A608-F616 WeakPolarHBondContact CA-O 3.48Å; Y609-F616 HydrophobicContact CD1-CB 4.15Å; Y609-F616 HydrophobicContact CD2-CD2 4.06Å; Y609-F616 HydrophobicContact CE1-CB 3.66Å; Y609-F616 HydrophobicContact CE1-CD2 4.19Å; Y609-F616 HydrophobicContact CE1-CG 4.03Å; Y609-F616 HydrophobicContact CE2-CB 4.23Å; Y609-F616 AromaticContact CE2-CD2 3.25Å; Y609-F616 HydrophobicContact CE2-CD2 3.25Å; Y609-F616 AromaticContact CE2-CE2 3.69Å; Y609-F616 HydrophobicContact CE2-CE2 3.69Å; Y609-F616 AromaticContact CE2-CG 3.94Å; Y609-F616 HydrophobicContact CE2-CG 3.94Å; Y609-F616 AromaticContact CZ-CD2 3.3Å; Y609-F616 AromaticContact CZ-CE2 3.87Å; Y609-F616 AromaticContact CZ-CG 3.48Å; Y609-F616 VanDerWaalsContact CZ-CG 3.48Å; Y609-F616 PolarHBondContact N-O 3.41Å; Y609-F616 PolarHBondContact O-N 3.31Å; Y609-F616 VanDerWaalsContact OH-CD2 3.26Å; Y609-F616 WeakPolarHBondContact OH-CD2 3.45Å; Y609-F616 WeakPolarHBondContact OH-CE2 3.42Å; Y609-F616 VanDerWaalsContact OH-CG 3.28Å; Y609-F616 WeakPolarHBondContact OH-CG 3.29Å; H614-F616 HydrophobicContact CB-CD2 4.16Å; H614-F616 HydrophobicContact CB-CE2 3.53Å; H614-F616 HydrophobicContact CB-CZ 4Å; F616-Y618 HydrophobicContact CB-CE2 3.81Å; F616-S631 VanDerWaalsContact CD1-CB 3.46Å |
| 617 | V | 85.9 | Confident | 75.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 129.2 | -175.4 | -171.9 | 0 | 0 | 0 | 0 | 109.1 | H606 A608 I615 L629 N630 F632 L646 L659 | H606-V617 HydrophobicContact CB-CG1 4.49Å; A608-V617 HydrophobicContact CB-CG2 4.29Å; I615-V617 HydrophobicContact CG2-CG2 4.3Å; V617-L629 HydrophobicContact CB-CD2 4.48Å; V617-L629 HydrophobicContact CG1-CB 4.5Å; V617-L629 HydrophobicContact CG1-CD2 4.08Å; V617-L629 WeakPolarHBondContact O-CA 3.41Å; V617-L629 PolarHBondContact O-N 3.32Å; V617-N630 WeakPolarHBondContact CA-O 3.19Å; V617-N630 PolarHBondContact N-O 3.45Å; V617-N630 PolarHBondContact O-N 3.4Å; V617-N630 VanDerWaalsContact O-N 3.1Å; V617-F632 HydrophobicContact CG2-CE1 4.4Å; V617-L646 HydrophobicContact CG2-CD1 3.75Å; V617-L659 HydrophobicContact CG1-CB 4.31Å; V617-L659 HydrophobicContact CG1-CD1 4.26Å; V617-L659 HydrophobicContact CG1-CD2 4.16Å; V617-L659 HydrophobicContact CG1-CG 4.47Å |
| 618 | Y | 83 | Confident | 75.9 | Confident | 15 Ų | 15 | 49.2 Ų | 49.2 | 6% | 0.059 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 152.1 | 177.3 | -59.1 | -104.4 | 0 | 0 | 0 | 108.8 | F558 H606 V607 Y609 F616 T627 H628 | F558-Y618 HydrophobicContact CB-CE1 4.31Å; H606-Y618 CarbonylContact C-O 3.59Å; H606-Y618 WeakPolarHBondContact CA-O 3.27Å; V607-Y618 PolarHBondContact N-O 3.09Å; V607-Y618 PolarHBondContact O-N 3.34Å; Y609-Y618 AromaticContact CD1-CE2 3.91Å; Y609-Y618 HydrophobicContact CD1-CE2 3.91Å; Y609-Y618 AromaticContact CE1-CE2 3.52Å; Y609-Y618 HydrophobicContact CE1-CE2 3.52Å; Y609-Y618 AromaticContact CE1-CZ 3.99Å; F616-Y618 HydrophobicContact CB-CE2 3.81Å; Y618-T627 CarbonylContact C-O 2.85Å; Y618-T627 WeakPolarHBondContact CA-O 3.49Å; Y618-T627 WeakPolarHBondContact CB-O 3.39Å; Y618-H628 HydrophobicContact CD1-CB 4Å; Y618-H628 HydrophobicContact CE1-CB 3.96Å; Y618-H628 AromaticContact CE1-CD2 3.89Å; Y618-H628 AromaticContact CZ-CD2 3.87Å |
| 619 | K | 76.5 | Confident | 75.7 | Confident | 62 Ų | 62 | 52.6 Ų | 52.6 | 27% | 0.27 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 133.8 | 176.7 | 177.6 | 164.3 | -175.1 | 140.7 | 0 | 110.9 | E605 I626 T627 L629 | E605-K619 CarbonylContact O-C 3.54Å; E605-K619 VanDerWaalsContact O-CA 3.31Å; E605-K619 WeakPolarHBondContact O-CA 3.28Å; E605-K619 WeakPolarHBondContact OE2-CE 3.4Å; E605-K619 IonicContact OE2-NZ 3.81Å; E605-K619 PolarHBondContact OE2-NZ 2.88Å; K619-I626 CarbonylContact O-C 3.59Å; K619-I626 WeakPolarHBondContact O-CA 3.32Å; K619-T627 PolarHBondContact N-O 3.04Å; K619-T627 PolarHBondContact O-N 2.98Å; K619-T627 PolarHBondContact O-OG1 3.11Å; K619-L629 HydrophobicContact CB-CB 4.17Å; K619-L629 HydrophobicContact CB-CD1 3.75Å; K619-L629 HydrophobicContact CD-CD1 3.88Å; K619-L629 HydrophobicContact CG-CD1 4.41Å |
| 620 | Q | 70.8 | Confident | 75.5 | Confident | 33 Ų | 33 | 54.9 Ų | 54.9 | 15% | 0.154 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 133.5 | 167.6 | -176.2 | 178.1 | -30.3 | 0 | 0 | 110.2 | T511 E605 I626 | T511-Q620 VanDerWaalsContact CG2-OE1 3.24Å; E605-Q620 PolarHBondContact O-N 3.04Å; Q620-I626 HydrophobicContact CB-CG1 4.26Å; Q620-I626 HydrophobicContact CG-CG1 4.37Å |
| 621 | S | 62.4 | Low | 75.4 | Confident | 37 Ų | 37 | 55.8 Ų | 55.8 | 26% | 0.259 | 28% | 0.281 | S | S | . | . | trans | -95.9 | 152.5 | 171.2 | 66.8 | 0 | 0 | 0 | 0 | 111 | R623 G624 Y625 | S621-R623 PolarHBondContact O-N 3.18Å; S621-G624 PolarHBondContact O-N 2.86Å; S621-G624 VanDerWaalsContact O-N 3.08Å; S621-Y625 WeakPolarHBondContact CB-O 3.42Å; S621-Y625 PolarHBondContact N-O 2.85Å; S621-Y625 PolarHBondContact OG-N 2.95Å; S621-Y625 PolarHBondContact OG-O 3.48Å | ||
| 622 | S | 56.7 | Low | 75.7 | Confident | 121 Ų | 121 | 56 Ų | 56 | 85% | 0.846 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -9.3 | 174.8 | 52.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 623 | R | 49.6 | Very low | 75.9 | Confident | 186 Ų | 186 | 59.7 Ų | 59.7 | 70% | 0.702 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 13.2 | 176.3 | -64.9 | -176 | 175.2 | -170.9 | -4.1 | 113.4 | S621 Y625 | S621-R623 PolarHBondContact O-N 3.18Å; R623-Y625 HydrophobicContact CB-CD2 4Å; R623-Y625 HydrophobicContact CB-CE2 4.16Å; R623-Y625 VanDerWaalsContact O-CD2 3.26Å; R623-Y625 WeakPolarHBondContact O-CD2 3.46Å; R623-Y625 VanDerWaalsContact O-CE2 3.31Å; R623-Y625 WeakPolarHBondContact O-CE2 3.31Å; R623-Y625 PolarHBondContact O-N 3.35Å |
| 624 | G | 56.3 | Low | 75.7 | Confident | 13 Ų | 13 | 54 Ų | 54 | 13% | 0.134 | 28% | 0.28 | C | S | . | . | S | Bend | trans | 78.3 | 15.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | H589 S621 | H589-G624 PolarHBondContact NE2-O 3.49Å; S621-G624 PolarHBondContact O-N 2.86Å; S621-G624 VanDerWaalsContact O-N 3.08Å |
| 625 | Y | 61.1 | Low | 75.5 | Confident | 148 Ų | 148 | 59.3 Ų | 59.3 | 58% | 0.58 | 30% | 0.302 | S | S | * | . | trans | -106 | 142.7 | 171.8 | -56 | -88.6 | 0 | 0 | 0 | 110.6 | S621 R623 | S621-Y625 WeakPolarHBondContact CB-O 3.42Å; S621-Y625 PolarHBondContact N-O 2.85Å; S621-Y625 PolarHBondContact OG-N 2.95Å; S621-Y625 PolarHBondContact OG-O 3.48Å; R623-Y625 HydrophobicContact CB-CD2 4Å; R623-Y625 HydrophobicContact CB-CE2 4.16Å; R623-Y625 VanDerWaalsContact O-CD2 3.26Å; R623-Y625 WeakPolarHBondContact O-CD2 3.46Å; R623-Y625 VanDerWaalsContact O-CE2 3.31Å; R623-Y625 WeakPolarHBondContact O-CE2 3.31Å; R623-Y625 PolarHBondContact O-N 3.35Å | ||
| 626 | I | 68.1 | Low | 75.4 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.015 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119.9 | 173.9 | -60.9 | 167.3 | 0 | 0 | 0 | 107.7 | V509 I559 H589 I591 K619 Q620 | V509-I626 HydrophobicContact CB-CD1 4.21Å; V509-I626 HydrophobicContact CG1-CD1 4.15Å; V509-I626 HydrophobicContact CG2-CD1 4.3Å; I559-I626 HydrophobicContact CD1-CB 3.7Å; I559-I626 HydrophobicContact CD1-CD1 4.35Å; I559-I626 HydrophobicContact CD1-CG1 4.01Å; I559-I626 HydrophobicContact CG1-CB 4.12Å; H589-I626 HydrophobicContact CB-CD1 4.2Å; I591-I626 HydrophobicContact CD1-CD1 3.86Å; I591-I626 HydrophobicContact CD1-CG2 4.21Å; K619-I626 CarbonylContact O-C 3.59Å; K619-I626 WeakPolarHBondContact O-CA 3.32Å; Q620-I626 HydrophobicContact CB-CG1 4.26Å; Q620-I626 HydrophobicContact CG-CG1 4.37Å |
| 627 | T | 73.2 | Confident | 75.2 | Confident | 52 Ų | 52 | 65.4 Ų | 65.4 | 32% | 0.319 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 145.7 | -178.1 | 53.7 | 0 | 0 | 0 | 0 | 110.4 | Y618 K619 L629 | Y618-T627 CarbonylContact C-O 2.85Å; Y618-T627 WeakPolarHBondContact CA-O 3.49Å; Y618-T627 WeakPolarHBondContact CB-O 3.39Å; K619-T627 PolarHBondContact N-O 3.04Å; K619-T627 PolarHBondContact O-N 2.98Å; K619-T627 PolarHBondContact O-OG1 3.11Å; T627-L629 PolarHBondContact O-N 2.85Å |
| 628 | H | 80.7 | Confident | 75 | Confident | 75 Ų | 75 | 65.4 Ų | 65.4 | 35% | 0.347 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 131.2 | 167.8 | 178.4 | -89.4 | 0 | 0 | 0 | 109.6 | Y618 N630 | Y618-H628 HydrophobicContact CD1-CB 4Å; Y618-H628 HydrophobicContact CE1-CB 3.96Å; Y618-H628 AromaticContact CE1-CD2 3.89Å; Y618-H628 AromaticContact CZ-CD2 3.87Å; H628-N630 VanDerWaalsContact CE1-C 3.48Å; H628-N630 PolarHBondContact NE2-O 3.34Å |
| 629 | L | 80.7 | Confident | 74.8 | Confident | 70 Ų | 70 | 64.8 Ų | 64.8 | 37% | 0.366 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -52.2 | -178 | -177.9 | 134.3 | 0 | 0 | 0 | 111.8 | V617 K619 T627 L659 | V617-L629 HydrophobicContact CB-CD2 4.48Å; V617-L629 HydrophobicContact CG1-CB 4.5Å; V617-L629 HydrophobicContact CG1-CD2 4.08Å; V617-L629 WeakPolarHBondContact O-CA 3.41Å; V617-L629 PolarHBondContact O-N 3.32Å; K619-L629 HydrophobicContact CB-CB 4.17Å; K619-L629 HydrophobicContact CB-CD1 3.75Å; K619-L629 HydrophobicContact CD-CD1 3.88Å; K619-L629 HydrophobicContact CG-CD1 4.41Å; T627-L629 PolarHBondContact O-N 2.85Å; L629-L659 HydrophobicContact CD2-CB 3.85Å; L629-L659 HydrophobicContact CD2-CD1 3.96Å |
| 630 | N | 82.4 | Confident | 75.1 | Confident | 52 Ų | 52 | 61.9 Ų | 61.9 | 28% | 0.278 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 161 | 175.7 | -150.5 | -23.5 | 0 | 0 | 0 | 112.1 | V617 H628 E660 | V617-N630 WeakPolarHBondContact CA-O 3.19Å; V617-N630 PolarHBondContact N-O 3.45Å; V617-N630 PolarHBondContact O-N 3.4Å; V617-N630 VanDerWaalsContact O-N 3.1Å; H628-N630 VanDerWaalsContact CE1-C 3.48Å; H628-N630 PolarHBondContact NE2-O 3.34Å; N630-E660 WeakPolarHBondContact ND2-CA 3.26Å |
| 631 | S | 84.7 | Confident | 75.8 | Confident | 51 Ų | 51 | 60.3 Ų | 60.3 | 36% | 0.357 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 135.9 | 174 | 59.2 | 0 | 0 | 0 | 0 | 111.7 | I615 F616 | I615-S631 CarbonylContact O-C 3.54Å; I615-S631 VanDerWaalsContact O-CA 3.31Å; I615-S631 WeakPolarHBondContact O-CA 3.32Å; F616-S631 VanDerWaalsContact CD1-CB 3.46Å |
| 632 | F | 90 | Very high | 76.7 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 9% | 0.092 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 152.7 | -174.3 | 62.7 | -93.3 | 0 | 0 | 0 | 112.4 | H614 I615 V617 C634 L646 G661 | H614-F632 CarbonylContact C-O 3.26Å; H614-F632 VanDerWaalsContact CA-O 3.31Å; H614-F632 WeakPolarHBondContact CA-O 3.38Å; I615-F632 HydrophobicContact CB-CD2 4.45Å; I615-F632 HydrophobicContact CB-CE1 4.07Å; I615-F632 HydrophobicContact CB-CE2 3.94Å; I615-F632 HydrophobicContact CB-CZ 3.73Å; I615-F632 HydrophobicContact CD1-CE2 3.69Å; I615-F632 HydrophobicContact CD1-CZ 3.76Å; I615-F632 HydrophobicContact CG1-CE2 4.24Å; I615-F632 HydrophobicContact CG1-CZ 4.29Å; I615-F632 HydrophobicContact CG2-CE1 4.05Å; I615-F632 HydrophobicContact CG2-CZ 3.91Å; I615-F632 PolarHBondContact N-O 2.83Å; I615-F632 PolarHBondContact O-N 3.28Å; V617-F632 HydrophobicContact CG2-CE1 4.4Å; F632-C634 HydrophobicContact CD2-CB 4.43Å; F632-C634 HydrophobicContact CE2-CB 4.21Å; F632-L646 HydrophobicContact CE1-CD1 3.66Å; F632-L646 HydrophobicContact CZ-CD1 3.7Å; F632-G661 VanDerWaalsContact CD1-CA 3.5Å; F632-G661 VanDerWaalsContact CE1-CA 3.48Å; F632-G661 VanDerWaalsContact CE2-CA 3.49Å; F632-G661 VanDerWaalsContact CZ-CA 3.48Å |
| 633 | S | 85.5 | Confident | 77.8 | Confident | 86 Ų | 86 | 58.5 Ų | 58.5 | 60% | 0.601 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 131.3 | 179.2 | 58.7 | 0 | 0 | 0 | 0 | 111.8 | H613 | H613-S633 CarbonylContact O-C 3.41Å; H613-S633 WeakPolarHBondContact O-CA 3.48Å |
| 634 | C | 82.7 | Confident | 79.5 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | trans | -145.4 | 109.4 | 175.4 | -163.8 | 0 | 0 | 0 | 0 | 110.7 | W610 H613 I615 F632 F636 | W610-C634 PolarHBondContact NE1-O 2.64Å; H613-C634 CarbonylContact C-O 3.41Å; H613-C634 VanDerWaalsContact C-O 3.26Å; H613-C634 WeakPolarHBondContact CA-O 3.25Å; H613-C634 CarbonylContact O-C 3.52Å; H613-C634 PolarHBondContact O-N 2.72Å; I615-C634 HydrophobicContact CD1-CB 3.63Å; I615-C634 HydrophobicContact CG1-CB 3.88Å; F632-C634 HydrophobicContact CD2-CB 4.43Å; F632-C634 HydrophobicContact CE2-CB 4.21Å; C634-F636 PolarHBondContact O-N 3.15Å; C634-F636 PolarHBondContact SG-O 3.17Å | ||
| 635 | K | 81.5 | Confident | 81 | Confident | 188 Ų | 188 | 55.1 Ų | 55.1 | 82% | 0.817 | 27% | 0.266 | S | S | * | . | trans | -74 | -9.3 | 171.8 | -61.8 | -177 | 179.6 | -178.8 | 0 | 113.1 | ||||
| 636 | F | 83.9 | Confident | 82.3 | Confident | 58 Ų | 58 | 48.1 Ų | 48.1 | 25% | 0.254 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -98.2 | 147.2 | -174.4 | -62.1 | -54.6 | 0 | 0 | 0 | 110.9 | W610 C634 L638 I649 E650 | W610-F636 WeakPolarHBondContact CZ2-O 3.34Å; W610-F636 PolarHBondContact NE1-O 2.71Å; C634-F636 PolarHBondContact O-N 3.15Å; C634-F636 PolarHBondContact SG-O 3.17Å; F636-L638 PolarHBondContact O-N 2.85Å; F636-I649 VanDerWaalsContact CB-O 3.26Å; F636-I649 WeakPolarHBondContact CB-O 3.33Å; F636-I649 WeakPolarHBondContact CD1-O 2.99Å; F636-E650 HydrophobicContact CD1-CB 3.83Å; F636-E650 HydrophobicContact CD1-CG 4.31Å; F636-E650 HydrophobicContact CD2-CB 4.41Å; F636-E650 HydrophobicContact CE1-CB 3.65Å; F636-E650 HydrophobicContact CE1-CG 3.62Å; F636-E650 HydrophobicContact CE2-CB 4.25Å; F636-E650 HydrophobicContact CE2-CG 4.42Å; F636-E650 HydrophobicContact CG-CB 4.22Å; F636-E650 HydrophobicContact CZ-CB 3.87Å; F636-E650 HydrophobicContact CZ-CG 3.68Å |
| 637 | K | 82.6 | Confident | 83.3 | Confident | 101 Ų | 101 | 48 Ų | 48 | 44% | 0.439 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 122.9 | -179.1 | -173.8 | -174.6 | 176.3 | -171.9 | 0 | 109.8 | W610 V639 T648 I649 | W610-K637 HydrophobicContact CH2-CB 4.12Å; W610-K637 HydrophobicContact CH2-CG 4.33Å; W610-K637 HydrophobicContact CZ3-CB 4.35Å; W610-K637 HydrophobicContact CZ3-CG 4.07Å; K637-V639 HydrophobicContact CB-CG1 4.31Å; K637-V639 HydrophobicContact CD-CG1 3.83Å; K637-V639 HydrophobicContact CG-CG1 3.81Å; K637-T648 VanDerWaalsContact O-CA 3.29Å; K637-T648 WeakPolarHBondContact O-CA 3.49Å; K637-I649 PolarHBondContact O-N 2.81Å |
| 638 | L | 83.2 | Confident | 84.1 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 127.2 | 165.4 | 177 | 65.2 | 0 | 0 | 0 | 108.5 | A599 Y601 W610 I615 F636 L646 T648 | A599-L638 HydrophobicContact CB-CB 4.5Å; Y601-L638 HydrophobicContact CD2-CD1 4.42Å; Y601-L638 HydrophobicContact CD2-CD2 3.81Å; Y601-L638 HydrophobicContact CD2-CG 3.71Å; Y601-L638 HydrophobicContact CE2-CD2 4.34Å; Y601-L638 HydrophobicContact CE2-CG 3.88Å; W610-L638 HydrophobicContact CB-CB 3.63Å; W610-L638 HydrophobicContact CB-CD2 3.78Å; W610-L638 HydrophobicContact CB-CG 4.36Å; W610-L638 HydrophobicContact CD2-CB 4.36Å; W610-L638 HydrophobicContact CG-CB 3.94Å; I615-L638 HydrophobicContact CD1-CB 4.16Å; I615-L638 HydrophobicContact CD1-CD1 4.03Å; I615-L638 HydrophobicContact CD1-CG 4.49Å; I615-L638 HydrophobicContact CG1-CB 4.41Å; I615-L638 HydrophobicContact CG1-CD2 4.46Å; I615-L638 HydrophobicContact CG2-CD2 4.32Å; F636-L638 PolarHBondContact O-N 2.85Å; L638-L646 HydrophobicContact CD1-CB 4.48Å; L638-L646 HydrophobicContact CD1-CD2 3.83Å; L638-T648 HydrophobicContact CD1-CG2 4.38Å |
| 639 | V | 79.1 | Confident | 84.4 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | -2.2 | -173.2 | -66.9 | 0 | 0 | 0 | 0 | 115.4 | Y601 K637 F647 I649 L654 T679 M686 | Y601-V639 WeakPolarHBondContact CE1-O 3.09Å; Y601-V639 WeakPolarHBondContact OH-CA 3.22Å; Y601-V639 PolarHBondContact OH-O 3.32Å; Y601-V639 VanDerWaalsContact OH-O 3.09Å; K637-V639 HydrophobicContact CB-CG1 4.31Å; K637-V639 HydrophobicContact CD-CG1 3.83Å; K637-V639 HydrophobicContact CG-CG1 3.81Å; V639-F647 HydrophobicContact CG2-CB 3.96Å; V639-F647 WeakPolarHBondContact CG2-O 3.45Å; V639-F647 PolarHBondContact N-O 2.77Å; V639-I649 HydrophobicContact CB-CD1 4.21Å; V639-I649 HydrophobicContact CB-CG1 4.36Å; V639-I649 HydrophobicContact CG1-CD1 3.5Å; V639-I649 VanDerWaalsContact CG1-CD1 3.5Å; V639-I649 HydrophobicContact CG1-CG1 3.82Å; V639-I649 HydrophobicContact CG2-CD1 3.98Å; V639-I649 HydrophobicContact CG2-CG1 3.7Å; V639-L654 HydrophobicContact CG2-CD1 4.36Å; V639-T679 HydrophobicContact CB-CG2 4.2Å; V639-T679 HydrophobicContact CG1-CG2 4.49Å; V639-T679 HydrophobicContact CG2-CG2 4.31Å; V639-M686 HydrophobicContact CG2-SD 4.41Å |
| 640 | G | 81.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.7 | 162.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | F647 | G640-F647 PolarHBondContact O-N 3.3Å |
| 641 | M | 85.9 | Confident | 84.6 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 131.2 | 165.5 | -172 | 170 | 61.4 | 0 | 0 | 109.3 | Y601 T603 H606 A608 N645 L646 L659 Q681 | Y601-M641 VanDerWaalsContact O-CE 3.28Å; Y601-M641 WeakPolarHBondContact O-CE 3.46Å; T603-M641 HydrophobicContact CG2-CB 4.34Å; T603-M641 HydrophobicContact CG2-CE 3.91Å; T603-M641 HydrophobicContact CG2-CG 3.87Å; H606-M641 HydrophobicContact CB-CE 3.91Å; H606-M641 HydrophobicContact CB-SD 4.19Å; H606-M641 WeakPolarHBondContact O-CE 3.08Å; A608-M641 HydrophobicContact CB-CE 3.96Å; A608-M641 HydrophobicContact CB-SD 3.57Å; A608-M641 VanDerWaalsContact CB-SD 3.57Å; M641-N645 CarbonylContact C-O 3.6Å; M641-N645 WeakPolarHBondContact CA-O 3.33Å; M641-N645 WeakPolarHBondContact CG-O 3.47Å; M641-L646 HydrophobicContact CB-CD2 3.93Å; M641-L646 HydrophobicContact CG-CD2 3.7Å; M641-L646 HydrophobicContact CG-CG 4.33Å; M641-L646 HydrophobicContact SD-CD2 3.61Å; M641-L646 HydrophobicContact SD-CG 4.37Å; M641-L659 HydrophobicContact SD-CD2 4.27Å; M641-Q681 PolarHBondContact O-NE2 3.11Å; M641-Q681 PolarHBondContact O-OE1 2.9Å |
| 642 | H | 81.9 | Confident | 84.8 | Confident | 19 Ų | 19 | 45.6 Ų | 45.6 | 9% | 0.088 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 122.6 | 176.1 | -173 | 78.7 | 0 | 0 | 0 | 110.3 | Y644 N645 F647 G683 L700 | H642-Y644 PolarHBondContact O-N 2.94Å; H642-N645 PolarHBondContact N-O 2.84Å; H642-N645 WeakPolarHBondContact O-CB 3.43Å; H642-N645 PolarHBondContact O-N 3.09Å; H642-F647 HydrophobicContact CB-CE2 3.93Å; H642-G683 PolarHBondContact CE1-O 3.23Å; H642-G683 PolarHBondContact ND1-O 2.77Å; H642-L700 HydrophobicContact CB-CB 3.87Å; H642-L700 HydrophobicContact CB-CD1 3.61Å; H642-L700 HydrophobicContact CB-CG 4.42Å; H642-L700 PolarHBondContact CD2-O 2.89Å |
| 643 | Q | 80.1 | Confident | 84.7 | Confident | 100 Ų | 100 | 47.7 Ų | 47.7 | 47% | 0.467 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | -99.9 | -170.5 | -60.9 | 172.5 | 5.4 | 0 | 0 | 112.4 | ||
| 644 | Y | 84.8 | Confident | 84.9 | Confident | 116 Ų | 116 | 43.6 Ų | 43.6 | 46% | 0.455 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 8.9 | -177.7 | -62.4 | -88.3 | 0 | 0 | 0 | 113.2 | E605 H606 H642 L659 | E605-Y644 PolarHBondContact OE2-OH 2.93Å; H606-Y644 AromaticContact CE1-CD1 3.88Å; H606-Y644 AromaticContact CE1-CE1 3.49Å; H606-Y644 VanDerWaalsContact CE1-CE1 3.49Å; H606-Y644 WeakPolarHBondContact CE1-CE1 3.26Å; H642-Y644 PolarHBondContact O-N 2.94Å; Y644-L659 HydrophobicContact CD1-CD1 3.81Å; Y644-L659 HydrophobicContact CD1-CG 4.48Å; Y644-L659 PolarHBondContact O-N 3.47Å |
| 645 | N | 87.9 | Confident | 85.3 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 133.9 | -179 | -58.9 | -43.6 | 0 | 0 | 0 | 111 | M641 H642 F647 V656 R657 K664 | M641-N645 CarbonylContact C-O 3.6Å; M641-N645 WeakPolarHBondContact CA-O 3.33Å; M641-N645 WeakPolarHBondContact CG-O 3.47Å; H642-N645 PolarHBondContact N-O 2.84Å; H642-N645 WeakPolarHBondContact O-CB 3.43Å; H642-N645 PolarHBondContact O-N 3.09Å; N645-F647 HydrophobicContact CB-CE2 3.89Å; N645-F647 HydrophobicContact CB-CZ 3.77Å; N645-V656 HydrophobicContact CB-CG1 4.1Å; N645-R657 CarbonylContact C-O 3.29Å; N645-R657 VanDerWaalsContact CA-O 3.32Å; N645-R657 WeakPolarHBondContact CA-O 3.47Å; N645-K664 PolarHBondContact OD1-NZ 2.85Å |
| 646 | L | 88.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 137.6 | 172.5 | -73.9 | 161 | 0 | 0 | 0 | 109.9 | A608 I615 V617 F632 L638 M641 R657 L659 | A608-L646 HydrophobicContact CB-CD2 3.76Å; I615-L646 HydrophobicContact CG2-CD1 4.18Å; I615-L646 HydrophobicContact CG2-CD2 4.49Å; V617-L646 HydrophobicContact CG2-CD1 3.75Å; F632-L646 HydrophobicContact CE1-CD1 3.66Å; F632-L646 HydrophobicContact CZ-CD1 3.7Å; L638-L646 HydrophobicContact CD1-CB 4.48Å; L638-L646 HydrophobicContact CD1-CD2 3.83Å; M641-L646 HydrophobicContact CB-CD2 3.93Å; M641-L646 HydrophobicContact CG-CD2 3.7Å; M641-L646 HydrophobicContact CG-CG 4.33Å; M641-L646 HydrophobicContact SD-CD2 3.61Å; M641-L646 HydrophobicContact SD-CG 4.37Å; L646-R657 HydrophobicContact CB-CB 4.27Å; L646-R657 PolarHBondContact N-O 3.02Å; L646-R657 PolarHBondContact O-N 2.92Å; L646-L659 HydrophobicContact CD1-CD2 4.04Å; L646-L659 HydrophobicContact CG-CD2 4.07Å |
| 647 | F | 89 | Confident | 86 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 125 | -174.4 | -62.9 | -82.4 | 0 | 0 | 0 | 110.9 | V639 G640 H642 N645 L654 V656 M686 L700 I705 | V639-F647 HydrophobicContact CG2-CB 3.96Å; V639-F647 WeakPolarHBondContact CG2-O 3.45Å; V639-F647 PolarHBondContact N-O 2.77Å; G640-F647 PolarHBondContact O-N 3.3Å; H642-F647 HydrophobicContact CB-CE2 3.93Å; N645-F647 HydrophobicContact CB-CE2 3.89Å; N645-F647 HydrophobicContact CB-CZ 3.77Å; F647-L654 HydrophobicContact CB-CD1 4.25Å; F647-L654 HydrophobicContact CD1-CD1 4.41Å; F647-V656 HydrophobicContact CD1-CG1 4.49Å; F647-V656 HydrophobicContact CD1-CG2 4.14Å; F647-V656 HydrophobicContact CE1-CB 4.37Å; F647-V656 HydrophobicContact CE1-CG1 3.9Å; F647-V656 HydrophobicContact CE1-CG2 3.86Å; F647-V656 HydrophobicContact CZ-CG1 4.36Å; F647-M686 HydrophobicContact CB-CE 4.02Å; F647-M686 HydrophobicContact CB-SD 4.18Å; F647-M686 HydrophobicContact CD1-CE 3.57Å; F647-M686 HydrophobicContact CE1-CE 4.21Å; F647-M686 HydrophobicContact CG-CE 3.78Å; F647-M686 HydrophobicContact CG-SD 4.25Å; F647-L700 HydrophobicContact CE1-CD2 3.84Å; F647-L700 HydrophobicContact CE2-CD1 3.98Å; F647-L700 HydrophobicContact CE2-CD2 4.29Å; F647-L700 HydrophobicContact CZ-CB 4.25Å; F647-L700 HydrophobicContact CZ-CD1 4.15Å; F647-L700 HydrophobicContact CZ-CD2 3.66Å; F647-L700 HydrophobicContact CZ-CG 4.22Å; F647-I705 HydrophobicContact CE1-CD1 3.48Å; F647-I705 VanDerWaalsContact CE1-CD1 3.48Å; F647-I705 HydrophobicContact CZ-CD1 3.5Å |
| 648 | T | 89.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 136.6 | -174.5 | 47.4 | 0 | 0 | 0 | 0 | 112 | I615 K637 L638 Q655 R657 | I615-T648 HydrophobicContact CD1-CG2 3.58Å; K637-T648 VanDerWaalsContact O-CA 3.29Å; K637-T648 WeakPolarHBondContact O-CA 3.49Å; L638-T648 HydrophobicContact CD1-CG2 4.38Å; T648-Q655 PolarHBondContact N-O 2.81Å; T648-Q655 PolarHBondContact O-N 2.96Å; T648-Q655 WeakPolarHBondContact OG1-CB 3.29Å; T648-Q655 PolarHBondContact OG1-O 2.82Å; T648-R657 PolarHBondContact OG1-NE 2.99Å; T648-R657 VanDerWaalsContact OG1-NE 3.1Å |
| 649 | I | 86.7 | Confident | 86.4 | Confident | 24 Ų | 24 | 30.9 Ų | 30.9 | 12% | 0.123 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 118.2 | -176.3 | -60.3 | 178.6 | 0 | 0 | 0 | 112 | F636 K637 V639 L654 I676 T679 | F636-I649 VanDerWaalsContact CB-O 3.26Å; F636-I649 WeakPolarHBondContact CB-O 3.33Å; F636-I649 WeakPolarHBondContact CD1-O 2.99Å; K637-I649 PolarHBondContact O-N 2.81Å; V639-I649 HydrophobicContact CB-CD1 4.21Å; V639-I649 HydrophobicContact CB-CG1 4.36Å; V639-I649 HydrophobicContact CG1-CD1 3.5Å; V639-I649 VanDerWaalsContact CG1-CD1 3.5Å; V639-I649 HydrophobicContact CG1-CG1 3.82Å; V639-I649 HydrophobicContact CG2-CD1 3.98Å; V639-I649 HydrophobicContact CG2-CG1 3.7Å; I649-L654 HydrophobicContact CG1-CD1 4.49Å; I649-I676 HydrophobicContact CD1-CB 3.97Å; I649-I676 HydrophobicContact CD1-CD1 4.43Å; I649-I676 HydrophobicContact CD1-CG2 3.68Å; I649-I676 HydrophobicContact CG1-CD1 4.27Å; I649-I676 HydrophobicContact CG2-CB 4.07Å; I649-I676 HydrophobicContact CG2-CD1 4.31Å; I649-T679 HydrophobicContact CD1-CG2 3.77Å |
| 650 | E | 85.6 | Confident | 86.7 | Confident | 39 Ų | 39 | 36.2 Ų | 36.2 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 153.5 | 160.3 | 174.7 | -176.3 | 177.5 | 0 | 0 | 108.4 | F636 Y652 K653 Q655 | F636-E650 HydrophobicContact CD1-CB 3.83Å; F636-E650 HydrophobicContact CD1-CG 4.31Å; F636-E650 HydrophobicContact CD2-CB 4.41Å; F636-E650 HydrophobicContact CE1-CB 3.65Å; F636-E650 HydrophobicContact CE1-CG 3.62Å; F636-E650 HydrophobicContact CE2-CB 4.25Å; F636-E650 HydrophobicContact CE2-CG 4.42Å; F636-E650 HydrophobicContact CG-CB 4.22Å; F636-E650 HydrophobicContact CZ-CB 3.87Å; F636-E650 HydrophobicContact CZ-CG 3.68Å; E650-Y652 PolarHBondContact O-N 3.19Å; E650-K653 HydrophobicContact CB-CB 4.22Å; E650-K653 HydrophobicContact CG-CD 4.43Å; E650-K653 PolarHBondContact N-O 2.96Å; E650-K653 CarbonylContact O-C 3.5Å; E650-K653 PolarHBondContact O-N 2.9Å; E650-K653 WeakPolarHBondContact OE1-CE 3.48Å; E650-K653 IonicContact OE1-NZ 3.69Å; E650-K653 PolarHBondContact OE1-NZ 2.86Å; E650-K653 IonicContact OE2-NZ 3.43Å; E650-Q655 PolarHBondContact OE2-NE2 2.57Å |
| 651 | P | 83.3 | Confident | 86.8 | Confident | 82 Ų | 82 | 36.7 Ų | 36.7 | 53% | 0.532 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 127.5 | 172.7 | -29.2 | 37 | 0 | 0 | 0 | 111.7 | K653 | P651-K653 PolarHBondContact O-N 3.2Š|
| 652 | Y | 87.7 | Confident | 86.8 | Confident | 105 Ų | 105 | 40.2 Ų | 40.2 | 41% | 0.412 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 10.8 | -174.5 | -49 | -82.1 | 0 | 0 | 0 | 116.1 | E650 F669 | E650-Y652 PolarHBondContact O-N 3.19Å; Y652-F669 PolarHBondContact O-N 2.89Å |
| 653 | K | 88.1 | Confident | 87.1 | Confident | 65 Ų | 65 | 42.8 Ų | 42.8 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 128.8 | -176.4 | -46.1 | 177.5 | -151.4 | 156.9 | 0 | 113.7 | E650 P651 L666 I667 | E650-K653 HydrophobicContact CB-CB 4.22Å; E650-K653 HydrophobicContact CG-CD 4.43Å; E650-K653 PolarHBondContact N-O 2.96Å; E650-K653 CarbonylContact O-C 3.5Å; E650-K653 PolarHBondContact O-N 2.9Å; E650-K653 WeakPolarHBondContact OE1-CE 3.48Å; E650-K653 IonicContact OE1-NZ 3.69Å; E650-K653 PolarHBondContact OE1-NZ 2.86Å; E650-K653 IonicContact OE2-NZ 3.43Å; P651-K653 PolarHBondContact O-N 3.2Å; K653-L666 HydrophobicContact CB-CD1 4.08Å; K653-L666 HydrophobicContact CD-CD1 3.96Å; K653-L666 HydrophobicContact CD-CD2 4.29Å; K653-L666 HydrophobicContact CD-CG 4.41Å; K653-I667 WeakPolarHBondContact CA-O 3.23Å |
| 654 | L | 89.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 114.4 | 165.2 | 174.8 | 66.9 | 0 | 0 | 0 | 109 | V639 F647 I649 I667 F669 I676 M686 F698 | V639-L654 HydrophobicContact CG2-CD1 4.36Å; F647-L654 HydrophobicContact CB-CD1 4.25Å; F647-L654 HydrophobicContact CD1-CD1 4.41Å; I649-L654 HydrophobicContact CG1-CD1 4.49Å; L654-I667 HydrophobicContact CB-CB 4.15Å; L654-I667 HydrophobicContact CD2-CD1 4.12Å; L654-I667 PolarHBondContact N-O 2.9Å; L654-I667 PolarHBondContact O-N 3.21Å; L654-F669 HydrophobicContact CB-CE2 4.13Å; L654-I676 HydrophobicContact CB-CD1 3.84Å; L654-M686 HydrophobicContact CD1-CE 3.95Å; L654-M686 HydrophobicContact CD2-CE 3.54Å; L654-M686 HydrophobicContact CG-CE 4.36Å; L654-F698 HydrophobicContact CD2-CD2 4.02Å; L654-F698 HydrophobicContact CD2-CE2 4Å; L654-F698 HydrophobicContact CD2-CG 4.48Å; L654-F698 HydrophobicContact CD2-CZ 4.44Å |
| 655 | Q | 90.4 | Very high | 87.6 | Confident | 14 Ų | 14 | 40.7 Ų | 40.7 | 7% | 0.065 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 119 | 175.1 | -64.9 | -178.4 | 4.5 | 0 | 0 | 110.1 | T648 E650 V663 L666 | T648-Q655 PolarHBondContact N-O 2.81Å; T648-Q655 PolarHBondContact O-N 2.96Å; T648-Q655 WeakPolarHBondContact OG1-CB 3.29Å; T648-Q655 PolarHBondContact OG1-O 2.82Å; E650-Q655 PolarHBondContact OE2-NE2 2.57Å; Q655-V663 HydrophobicContact CB-CG1 4.49Å; Q655-V663 HydrophobicContact CB-CG2 4.47Å; Q655-L666 HydrophobicContact CG-CD1 3.83Å |
| 656 | V | 90.3 | Very high | 87.7 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 116 | 169.4 | -171.8 | 0 | 0 | 0 | 0 | 108.2 | N645 F647 V663 K664 Q665 I667 I705 | N645-V656 HydrophobicContact CB-CG1 4.1Å; F647-V656 HydrophobicContact CD1-CG1 4.49Å; F647-V656 HydrophobicContact CD1-CG2 4.14Å; F647-V656 HydrophobicContact CE1-CB 4.37Å; F647-V656 HydrophobicContact CE1-CG1 3.9Å; F647-V656 HydrophobicContact CE1-CG2 3.86Å; F647-V656 HydrophobicContact CZ-CG1 4.36Å; V656-V663 CarbonylContact O-C 2.98Å; V656-V663 WeakPolarHBondContact O-CA 3.34Å; V656-K664 PolarHBondContact O-N 2.86Å; V656-Q665 HydrophobicContact CB-CB 4.03Å; V656-Q665 HydrophobicContact CG2-CB 4.12Å; V656-Q665 PolarHBondContact N-O 3.12Å; V656-Q665 PolarHBondContact O-N 2.72Å; V656-I667 HydrophobicContact CG2-CD1 4.05Å; V656-I705 HydrophobicContact CG1-CD1 3.9Å; V656-I705 HydrophobicContact CG2-CD1 4.22Å |
| 657 | R | 90.1 | Very high | 87.7 | Confident | 24 Ų | 24 | 44.9 Ų | 44.9 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 153.6 | 179.4 | -64 | 176.1 | 179.7 | -128.6 | -0.1 | 110.9 | N645 L646 T648 G661 C662 V663 | N645-R657 CarbonylContact C-O 3.29Å; N645-R657 VanDerWaalsContact CA-O 3.32Å; N645-R657 WeakPolarHBondContact CA-O 3.47Å; L646-R657 HydrophobicContact CB-CB 4.27Å; L646-R657 PolarHBondContact N-O 3.02Å; L646-R657 PolarHBondContact O-N 2.92Å; T648-R657 PolarHBondContact OG1-NE 2.99Å; T648-R657 VanDerWaalsContact OG1-NE 3.1Å; R657-G661 PolarHBondContact NH1-O 3.48Å; R657-C662 CarbonylContact C-O 3.45Å; R657-C662 VanDerWaalsContact CA-O 3.25Å; R657-C662 WeakPolarHBondContact CA-O 3.24Å; R657-V663 HydrophobicContact CG-CG2 4.05Å |
| 658 | N | 88.8 | Confident | 87.7 | Confident | 32 Ų | 32 | 49.4 Ų | 49.4 | 17% | 0.171 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 175.4 | 160.7 | 75.3 | -8.7 | 0 | 0 | 0 | 110.5 | E660 G661 C662 K664 | N658-E660 PolarHBondContact ND2-OE2 2.85Å; N658-E660 PolarHBondContact O-N 3.24Å; N658-E660 VanDerWaalsContact O-N 3.1Å; N658-E660 WeakPolarHBondContact OD1-CA 3.28Å; N658-E660 WeakPolarHBondContact OD1-CB 3.43Å; N658-E660 PolarHBondContact OD1-N 3.23Å; N658-G661 PolarHBondContact O-N 2.93Å; N658-G661 PolarHBondContact OD1-N 2.93Å; N658-C662 PolarHBondContact N-O 2.82Å; N658-C662 WeakPolarHBondContact OD1-CB 3.28Å; N658-C662 PolarHBondContact OD1-N 3.38Å; N658-C662 PolarHBondContact OD1-O 3.34Å; N658-K664 HydrophobicContact CB-CD 3.89Å; N658-K664 HydrophobicContact CB-CG 4.18Å |
| 659 | L | 86.2 | Confident | 87.5 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -13.3 | 176.9 | -57.5 | -172.3 | 0 | 0 | 0 | 114.2 | V617 L629 M641 Y644 L646 | V617-L659 HydrophobicContact CG1-CB 4.31Å; V617-L659 HydrophobicContact CG1-CD1 4.26Å; V617-L659 HydrophobicContact CG1-CD2 4.16Å; V617-L659 HydrophobicContact CG1-CG 4.47Å; L629-L659 HydrophobicContact CD2-CB 3.85Å; L629-L659 HydrophobicContact CD2-CD1 3.96Å; M641-L659 HydrophobicContact SD-CD2 4.27Å; Y644-L659 HydrophobicContact CD1-CD1 3.81Å; Y644-L659 HydrophobicContact CD1-CG 4.48Å; Y644-L659 PolarHBondContact O-N 3.47Å; L646-L659 HydrophobicContact CD1-CD2 4.04Å; L646-L659 HydrophobicContact CG-CD2 4.07Å |
| 660 | E | 85.1 | Confident | 87.3 | Confident | 114 Ų | 114 | 52 Ų | 52 | 53% | 0.533 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -5.6 | 176.3 | -44.8 | 172.3 | 134.1 | 0 | 0 | 112.7 | N630 N658 | N630-E660 WeakPolarHBondContact ND2-CA 3.26Å; N658-E660 PolarHBondContact ND2-OE2 2.85Å; N658-E660 PolarHBondContact O-N 3.24Å; N658-E660 VanDerWaalsContact O-N 3.1Å; N658-E660 WeakPolarHBondContact OD1-CA 3.28Å; N658-E660 WeakPolarHBondContact OD1-CB 3.43Å; N658-E660 PolarHBondContact OD1-N 3.23Å |
| 661 | G | 82.7 | Confident | 86.9 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | S | Bend | trans | 91.4 | -5.5 | -180 | 0 | 0 | 0 | 0 | 0 | 115.8 | F632 R657 N658 V663 | F632-G661 VanDerWaalsContact CD1-CA 3.5Å; F632-G661 VanDerWaalsContact CE1-CA 3.48Å; F632-G661 VanDerWaalsContact CE2-CA 3.49Å; F632-G661 VanDerWaalsContact CZ-CA 3.48Å; R657-G661 PolarHBondContact NH1-O 3.48Å; N658-G661 PolarHBondContact O-N 2.93Å; N658-G661 PolarHBondContact OD1-N 2.93Å; G661-V663 PolarHBondContact O-N 2.93Å |
| 662 | C | 87.4 | Confident | 86.6 | Confident | 75 Ų | 75 | 60.6 Ų | 60.6 | 51% | 0.507 | 31% | 0.305 | S | S | . | . | trans | -66.6 | 125.5 | 175.7 | -63.7 | 0 | 0 | 0 | 0 | 110.5 | R657 N658 K664 | R657-C662 CarbonylContact C-O 3.45Å; R657-C662 VanDerWaalsContact CA-O 3.25Å; R657-C662 WeakPolarHBondContact CA-O 3.24Å; N658-C662 PolarHBondContact N-O 2.82Å; N658-C662 WeakPolarHBondContact OD1-CB 3.28Å; N658-C662 PolarHBondContact OD1-N 3.38Å; N658-C662 PolarHBondContact OD1-O 3.34Å; C662-K664 PolarHBondContact O-N 2.79Å; C662-K664 VanDerWaalsContact O-N 3.16Å | ||
| 663 | V | 87.3 | Confident | 86 | Confident | 73 Ų | 73 | 57.1 Ų | 57.1 | 44% | 0.442 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 110.4 | 178.6 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | Q655 V656 R657 G661 Q665 | Q655-V663 HydrophobicContact CB-CG1 4.49Å; Q655-V663 HydrophobicContact CB-CG2 4.47Å; V656-V663 CarbonylContact O-C 2.98Å; V656-V663 WeakPolarHBondContact O-CA 3.34Å; R657-V663 HydrophobicContact CG-CG2 4.05Å; G661-V663 PolarHBondContact O-N 2.93Å; V663-Q665 WeakPolarHBondContact CG1-O 3.31Å |
| 664 | K | 86.5 | Confident | 85.7 | Confident | 120 Ų | 120 | 54 Ų | 54 | 52% | 0.522 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | -35.6 | 174.6 | -70.5 | 175.6 | 57.5 | 178.9 | 0 | 112.2 | N645 V656 N658 C662 | N645-K664 PolarHBondContact OD1-NZ 2.85Å; V656-K664 PolarHBondContact O-N 2.86Å; N658-K664 HydrophobicContact CB-CD 3.89Å; N658-K664 HydrophobicContact CB-CG 4.18Å; C662-K664 PolarHBondContact O-N 2.79Å; C662-K664 VanDerWaalsContact O-N 3.16Å |
| 665 | Q | 89 | Confident | 85.6 | Confident | 52 Ų | 52 | 55.5 Ų | 55.5 | 24% | 0.243 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 141.5 | -176.1 | -167.9 | -175.4 | -14.6 | 0 | 0 | 110.6 | V656 V663 I667 I705 | V656-Q665 HydrophobicContact CB-CB 4.03Å; V656-Q665 HydrophobicContact CG2-CB 4.12Å; V656-Q665 PolarHBondContact N-O 3.12Å; V656-Q665 PolarHBondContact O-N 2.72Å; V663-Q665 WeakPolarHBondContact CG1-O 3.31Å; Q665-I667 HydrophobicContact CG-CG1 4.3Å; Q665-I705 PolarHBondContact NE2-O 2.87Å |
| 666 | L | 89.4 | Confident | 85.4 | Confident | 85 Ų | 85 | 55.5 Ų | 55.5 | 45% | 0.445 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 120 | 175 | -172.1 | 74.3 | 0 | 0 | 0 | 108.6 | K653 Q655 N668 | K653-L666 HydrophobicContact CB-CD1 4.08Å; K653-L666 HydrophobicContact CD-CD1 3.96Å; K653-L666 HydrophobicContact CD-CD2 4.29Å; K653-L666 HydrophobicContact CD-CG 4.41Å; Q655-L666 HydrophobicContact CG-CD1 3.83Å; L666-N668 WeakPolarHBondContact CD2-OD1 3Å; L666-N668 WeakPolarHBondContact CG-OD1 3.47Å |
| 667 | I | 88.6 | Confident | 85 | Confident | 16 Ų | 16 | 58.4 Ų | 58.4 | 8% | 0.082 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 100.6 | 179.7 | -62.7 | 169 | 0 | 0 | 0 | 107.9 | K653 L654 V656 Q665 F669 F698 I705 | K653-I667 WeakPolarHBondContact CA-O 3.23Å; L654-I667 HydrophobicContact CB-CB 4.15Å; L654-I667 HydrophobicContact CD2-CD1 4.12Å; L654-I667 PolarHBondContact N-O 2.9Å; L654-I667 PolarHBondContact O-N 3.21Å; V656-I667 HydrophobicContact CG2-CD1 4.05Å; Q665-I667 HydrophobicContact CG-CG1 4.3Å; I667-F669 HydrophobicContact CG2-CE2 4.16Å; I667-F698 HydrophobicContact CD1-CD1 4.06Å; I667-F698 HydrophobicContact CD1-CE1 4Å; I667-F698 HydrophobicContact CG2-CE1 3.63Å; I667-F698 HydrophobicContact CG2-CZ 3.7Å; I667-I705 HydrophobicContact CD1-CB 4.32Å; I667-I705 HydrophobicContact CD1-CG2 4.02Å |
| 668 | N | 88.9 | Confident | 84.8 | Confident | 94 Ų | 94 | 59.7 Ų | 59.7 | 50% | 0.503 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 139.5 | 179.6 | -63.8 | -22.5 | 0 | 0 | 0 | 111.1 | L666 R696 | L666-N668 WeakPolarHBondContact CD2-OD1 3Å; L666-N668 WeakPolarHBondContact CG-OD1 3.47Å; N668-R696 PolarHBondContact O-NH1 3.4Å; N668-R696 PolarHBondContact O-NH2 2.99Å |
| 669 | F | 84.9 | Confident | 84.7 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | trans | -104.3 | 136.8 | 165.7 | -69.4 | -114 | 0 | 0 | 0 | 106.7 | Y652 L654 I667 E673 G674 I676 C688 T690 R696 F698 | Y652-F669 PolarHBondContact O-N 2.89Å; L654-F669 HydrophobicContact CB-CE2 4.13Å; I667-F669 HydrophobicContact CG2-CE2 4.16Å; F669-E673 HydrophobicContact CB-CB 4.38Å; F669-E673 HydrophobicContact CD1-CB 4.46Å; F669-G674 WeakPolarHBondContact CB-O 3.22Å; F669-I676 HydrophobicContact CD1-CG1 4.37Å; F669-I676 HydrophobicContact CD2-CD1 3.94Å; F669-I676 HydrophobicContact CD2-CG1 4.05Å; F669-I676 HydrophobicContact CE1-CD1 4.5Å; F669-I676 HydrophobicContact CE1-CG1 4.13Å; F669-I676 HydrophobicContact CE2-CD1 3.43Å; F669-I676 VanDerWaalsContact CE2-CD1 3.43Å; F669-I676 HydrophobicContact CE2-CG1 3.84Å; F669-I676 HydrophobicContact CG-CG1 4.33Å; F669-I676 HydrophobicContact CZ-CD1 3.74Å; F669-I676 HydrophobicContact CZ-CG1 3.87Å; F669-C688 HydrophobicContact CE1-CB 4.43Å; F669-C688 HydrophobicContact CZ-CB 3.96Å; F669-T690 HydrophobicContact CD1-CG2 3.59Å; F669-T690 HydrophobicContact CE1-CG2 3.75Å; F669-R696 HydrophobicContact CE1-CB 4.16Å; F669-R696 HydrophobicContact CE1-CG 3.85Å; F669-R696 HydrophobicContact CZ-CB 4.33Å; F669-R696 HydrophobicContact CZ-CG 4.38Å; F669-F698 HydrophobicContact CE2-CZ 4.25Å; F669-F698 AromaticContact CZ-CE2 3.92Å; F669-F698 HydrophobicContact CZ-CE2 3.92Å; F669-F698 AromaticContact CZ-CZ 3.87Å; F669-F698 HydrophobicContact CZ-CZ 3.87Å | ||
| 670 | T | 83.3 | Confident | 84.6 | Confident | 71 Ų | 71 | 59.3 Ų | 59.3 | 44% | 0.436 | 32% | 0.319 | S | S | . | . | trans | -75.2 | 162.5 | 178.6 | 56.5 | 0 | 0 | 0 | 0 | 111.2 | I672 E673 G674 | T670-I672 PolarHBondContact O-N 2.76Å; T670-E673 WeakPolarHBondContact CB-OE2 3.43Å; T670-E673 PolarHBondContact N-OE2 2.93Å; T670-E673 CarbonylContact O-C 3.51Å; T670-E673 WeakPolarHBondContact O-CA 3.31Å; T670-E673 PolarHBondContact O-N 3Å; T670-E673 VanDerWaalsContact OG1-CG 3.3Å; T670-E673 WeakPolarHBondContact OG1-CG 3.38Å; T670-E673 PolarHBondContact OG1-N 3.42Å; T670-E673 PolarHBondContact OG1-OE2 2.78Å; T670-G674 PolarHBondContact O-N 3.23Å | ||
| 671 | E | 77.7 | Confident | 84.4 | Confident | 172 Ų | 172 | 56.6 Ų | 56.6 | 80% | 0.804 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -30.9 | 170.6 | -63.4 | 177.7 | 172.2 | 0 | 0 | 111.7 | E673 | E671-E673 VanDerWaalsContact C-N 3.26Å; E671-E673 PolarHBondContact O-N 3.05Å |
| 672 | I | 77.2 | Confident | 84.1 | Confident | 131 Ų | 131 | 56.8 Ų | 56.8 | 67% | 0.672 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -23.9 | 174.5 | -57.1 | 166.7 | 0 | 0 | 0 | 111.8 | T670 K694 | T670-I672 PolarHBondContact O-N 2.76Å; I672-K694 PolarHBondContact O-NZ 2.81Å |
| 673 | E | 75.4 | Confident | 83.4 | Confident | 31 Ų | 31 | 55 Ų | 55 | 15% | 0.145 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -29.9 | 179.1 | -71.8 | 165.8 | 121 | 0 | 0 | 113.5 | F669 T670 E671 T690 Q692 K694 R696 | F669-E673 HydrophobicContact CB-CB 4.38Å; F669-E673 HydrophobicContact CD1-CB 4.46Å; T670-E673 WeakPolarHBondContact CB-OE2 3.43Å; T670-E673 PolarHBondContact N-OE2 2.93Å; T670-E673 CarbonylContact O-C 3.51Å; T670-E673 WeakPolarHBondContact O-CA 3.31Å; T670-E673 PolarHBondContact O-N 3Å; T670-E673 VanDerWaalsContact OG1-CG 3.3Å; T670-E673 WeakPolarHBondContact OG1-CG 3.38Å; T670-E673 PolarHBondContact OG1-N 3.42Å; T670-E673 PolarHBondContact OG1-OE2 2.78Å; E671-E673 VanDerWaalsContact C-N 3.26Å; E671-E673 PolarHBondContact O-N 3.05Å; E673-T690 WeakPolarHBondContact O-CB 3.34Å; E673-T690 WeakPolarHBondContact O-CG2 3.38Å; E673-T690 PolarHBondContact O-OG1 2.83Å; E673-Q692 WeakPolarHBondContact O-CB 3.16Å; E673-Q692 WeakPolarHBondContact O-CG 3.45Å; E673-K694 HydrophobicContact CG-CD 4.43Å; E673-R696 IonicContact OE1-CZ 2.69Å; E673-R696 IonicContact OE1-NE 2.69Å; E673-R696 PolarHBondContact OE1-NE 3.21Å; E673-R696 IonicContact OE1-NH2 2.89Å; E673-R696 PolarHBondContact OE1-NH2 3.1Å; E673-R696 IonicContact OE2-CZ 2.86Å; E673-R696 IonicContact OE2-NH2 3.1Å; E673-R696 PolarHBondContact OE2-NH2 2.64Å |
| 674 | G | 81.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | 97.1 | 173.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | F669 T670 D691 | F669-G674 WeakPolarHBondContact CB-O 3.22Å; T670-G674 PolarHBondContact O-N 3.23Å; G674-D691 WeakPolarHBondContact CA-OD1 3.14Å | ||
| 675 | S | 86.5 | Confident | 82.9 | Confident | 31 Ų | 31 | 50.7 Ų | 50.7 | 22% | 0.217 | 28% | 0.278 | C | S | . | . | trans | -81.5 | 150.7 | 171 | 77 | 0 | 0 | 0 | 0 | 110.9 | T677 T690 D691 | S675-T677 PolarHBondContact O-N 2.8Å; S675-T690 CarbonylContact O-C 3.59Å; S675-T690 WeakPolarHBondContact O-CA 3.39Å; S675-T690 WeakPolarHBondContact O-CB 3.27Å; S675-D691 WeakPolarHBondContact CA-OD2 3.46Å; S675-D691 VanDerWaalsContact CB-OD2 3.26Å; S675-D691 WeakPolarHBondContact CB-OD2 3.47Å; S675-D691 PolarHBondContact N-OD1 2.8Å; S675-D691 PolarHBondContact N-OD2 2.97Å; S675-D691 PolarHBondContact O-N 2.85Å; S675-D691 PolarHBondContact OG-OD2 3.09Å | ||
| 676 | I | 86.3 | Confident | 82.8 | Confident | 14 Ų | 14 | 48.2 Ų | 48.2 | 7% | 0.072 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 122.7 | -175.3 | -46.9 | 170.1 | 0 | 0 | 0 | 109.7 | I649 L654 F669 T679 C688 L689 | I649-I676 HydrophobicContact CD1-CB 3.97Å; I649-I676 HydrophobicContact CD1-CD1 4.43Å; I649-I676 HydrophobicContact CD1-CG2 3.68Å; I649-I676 HydrophobicContact CG1-CD1 4.27Å; I649-I676 HydrophobicContact CG2-CB 4.07Å; I649-I676 HydrophobicContact CG2-CD1 4.31Å; L654-I676 HydrophobicContact CB-CD1 3.84Å; F669-I676 HydrophobicContact CD1-CG1 4.37Å; F669-I676 HydrophobicContact CD2-CD1 3.94Å; F669-I676 HydrophobicContact CD2-CG1 4.05Å; F669-I676 HydrophobicContact CE1-CD1 4.5Å; F669-I676 HydrophobicContact CE1-CG1 4.13Å; F669-I676 HydrophobicContact CE2-CD1 3.43Å; F669-I676 VanDerWaalsContact CE2-CD1 3.43Å; F669-I676 HydrophobicContact CE2-CG1 3.84Å; F669-I676 HydrophobicContact CG-CG1 4.33Å; F669-I676 HydrophobicContact CZ-CD1 3.74Å; F669-I676 HydrophobicContact CZ-CG1 3.87Å; I676-T679 HydrophobicContact CG2-CG2 4.01Å; I676-C688 HydrophobicContact CG2-CB 3.86Å; I676-L689 CarbonylContact C-O 3.54Å; I676-L689 WeakPolarHBondContact CA-O 3.3Å; I676-L689 WeakPolarHBondContact CG2-O 3.29Å |
| 677 | T | 82.7 | Confident | 82.7 | Confident | 64 Ų | 64 | 44.2 Ų | 44.2 | 39% | 0.393 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -48.8 | -175.9 | 50 | 0 | 0 | 0 | 0 | 112.3 | S675 L689 D691 | S675-T677 PolarHBondContact O-N 2.8Å; T677-L689 PolarHBondContact N-O 3.47Å; T677-L689 PolarHBondContact OG1-O 2.6Å; T677-D691 HydrophobicContact CG2-CB 3.87Å |
| 678 | V | 84.5 | Confident | 82.6 | Confident | 50 Ų | 50 | 43.4 Ų | 43.4 | 30% | 0.303 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 147 | -174.5 | -161.5 | 0 | 0 | 0 | 0 | 110.6 | L689 I763 | V678-L689 HydrophobicContact CB-CB 4.28Å; V678-L689 HydrophobicContact CB-CD2 4.24Å; V678-L689 HydrophobicContact CG2-CD2 4.14Å; V678-L689 PolarHBondContact N-O 2.71Å; V678-L689 PolarHBondContact O-N 2.97Å; V678-I763 HydrophobicContact CB-CG2 4.02Å; V678-I763 HydrophobicContact CG1-CG2 3.48Å; V678-I763 VanDerWaalsContact CG1-CG2 3.48Å |
| 679 | T | 87 | Confident | 82.6 | Confident | 24 Ų | 24 | 39 Ų | 39 | 15% | 0.147 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 136 | -179.1 | 48.1 | 0 | 0 | 0 | 0 | 111.2 | V639 I649 I676 A687 C688 | V639-T679 HydrophobicContact CB-CG2 4.2Å; V639-T679 HydrophobicContact CG1-CG2 4.49Å; V639-T679 HydrophobicContact CG2-CG2 4.31Å; I649-T679 HydrophobicContact CD1-CG2 3.77Å; I676-T679 HydrophobicContact CG2-CG2 4.01Å; T679-A687 VanDerWaalsContact CA-O 3.23Å; T679-A687 WeakPolarHBondContact CA-O 3.47Å; T679-C688 HydrophobicContact CG2-CB 4.47Å |
| 680 | A | 83.8 | Confident | 82.7 | Confident | 11 Ų | 11 | 38.8 Ų | 38.8 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | M686 A687 I763 M765 | A680-M686 CarbonylContact O-C 3.56Å; A680-M686 VanDerWaalsContact O-CA 3.28Å; A680-M686 WeakPolarHBondContact O-CA 3.1Å; A680-A687 PolarHBondContact N-O 2.81Å; A680-A687 PolarHBondContact O-N 2.6Å; A680-I763 HydrophobicContact CB-CG2 4.34Å; A680-M765 HydrophobicContact CB-CB 4.44Å |
| 681 | Q | 81.1 | Confident | 82.7 | Confident | 58 Ų | 58 | 38.3 Ų | 38.3 | 27% | 0.271 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135 | 172.8 | -173.5 | -171.1 | -27.3 | 0 | 0 | 109 | M641 Y685 L700 | M641-Q681 PolarHBondContact O-NE2 3.11Å; M641-Q681 PolarHBondContact O-OE1 2.9Å; Q681-Y685 WeakPolarHBondContact CA-O 2.94Å; Q681-Y685 WeakPolarHBondContact CG-O 2.81Å; Q681-L700 HydrophobicContact CG-CD1 4.14Å |
| 682 | C | 76.7 | Confident | 82.8 | Confident | 14 Ų | 14 | 34.5 Ų | 34.5 | 10% | 0.095 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 130.7 | 166.6 | -167.1 | 0 | 0 | 0 | 0 | 109.3 | T684 Y685 M765 K767 | C682-T684 PolarHBondContact O-N 3.47Å; C682-T684 VanDerWaalsContact O-N 3.14Å; C682-Y685 PolarHBondContact N-O 3.12Å; C682-Y685 PolarHBondContact O-N 3.5Å; C682-M765 WeakPolarHBondContact CB-O 3.33Å; C682-K767 VanDerWaalsContact SG-CA 3.55Å; C682-K767 PolarHBondContact SG-N 3.08Å; C682-K767 VanDerWaalsContact SG-N 3.44Å |
| 683 | G | 72.7 | Confident | 82.9 | Confident | 37 Ų | 37 | 29.4 Ų | 29.4 | 38% | 0.381 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | -116.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | H642 | H642-G683 PolarHBondContact CE1-O 3.23Å; H642-G683 PolarHBondContact ND1-O 2.77Å |
| 684 | T | 81.3 | Confident | 83.3 | Confident | 46 Ų | 46 | 30.5 Ų | 30.5 | 28% | 0.282 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 3.7 | -179.7 | 44.4 | 0 | 0 | 0 | 0 | 114.7 | C682 L700 | C682-T684 PolarHBondContact O-N 3.47Å; C682-T684 VanDerWaalsContact O-N 3.14Å; T684-L700 WeakPolarHBondContact O-CA 3.19Å; T684-L700 WeakPolarHBondContact O-CB 3.36Å; T684-L700 VanDerWaalsContact O-CG 3.28Å; T684-L700 WeakPolarHBondContact O-CG 3.4Å; T684-L700 PolarHBondContact O-N 3.03Å |
| 685 | Y | 83.1 | Confident | 83.5 | Confident | 57 Ų | 57 | 30.6 Ų | 30.6 | 22% | 0.224 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 148.9 | -171.5 | -63.1 | -93.3 | 0 | 0 | 0 | 112.9 | Q681 C682 V697 F698 D699 M765 S768 G769 | Q681-Y685 WeakPolarHBondContact CA-O 2.94Å; Q681-Y685 WeakPolarHBondContact CG-O 2.81Å; C682-Y685 PolarHBondContact N-O 3.12Å; C682-Y685 PolarHBondContact O-N 3.5Å; Y685-V697 HydrophobicContact CD1-CG1 4.27Å; Y685-F698 WeakPolarHBondContact CA-O 3.44Å; Y685-D699 HydrophobicContact CD1-CB 4.15Å; Y685-D699 HydrophobicContact CE1-CB 3.96Å; Y685-M765 VanDerWaalsContact C-CE 3.41Å; Y685-M765 VanDerWaalsContact CB-CE 3.48Å; Y685-M765 WeakPolarHBondContact O-CE 3.33Å; Y685-S768 VanDerWaalsContact CD2-C 3.47Å; Y685-S768 VanDerWaalsContact CE2-C 3.4Å; Y685-S768 VanDerWaalsContact CE2-O 3.27Å; Y685-S768 WeakPolarHBondContact CE2-O 3.22Å; Y685-G769 VanDerWaalsContact CG-CA 3.43Å |
| 686 | M | 86.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 126.5 | 170.4 | -175.9 | 173.4 | 59.2 | 0 | 0 | 112 | V639 F647 L654 A680 V697 F698 L700 | V639-M686 HydrophobicContact CG2-SD 4.41Å; F647-M686 HydrophobicContact CB-CE 4.02Å; F647-M686 HydrophobicContact CB-SD 4.18Å; F647-M686 HydrophobicContact CD1-CE 3.57Å; F647-M686 HydrophobicContact CE1-CE 4.21Å; F647-M686 HydrophobicContact CG-CE 3.78Å; F647-M686 HydrophobicContact CG-SD 4.25Å; L654-M686 HydrophobicContact CD1-CE 3.95Å; L654-M686 HydrophobicContact CD2-CE 3.54Å; L654-M686 HydrophobicContact CG-CE 4.36Å; A680-M686 CarbonylContact O-C 3.56Å; A680-M686 VanDerWaalsContact O-CA 3.28Å; A680-M686 WeakPolarHBondContact O-CA 3.1Å; M686-V697 WeakPolarHBondContact O-CA 3.42Å; M686-F698 PolarHBondContact N-O 2.89Å; M686-F698 PolarHBondContact O-N 2.87Å; M686-L700 HydrophobicContact CB-CD1 4.04Å; M686-L700 HydrophobicContact CB-CD2 3.91Å; M686-L700 HydrophobicContact CB-CG 4.31Å; M686-L700 HydrophobicContact CE-CD2 4.28Å |
| 687 | A | 86.2 | Confident | 83.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 138.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | T679 A680 V695 V697 M765 I772 | T679-A687 VanDerWaalsContact CA-O 3.23Å; T679-A687 WeakPolarHBondContact CA-O 3.47Å; A680-A687 PolarHBondContact N-O 2.81Å; A680-A687 PolarHBondContact O-N 2.6Å; A687-V695 HydrophobicContact CB-CG1 4.16Å; A687-V697 HydrophobicContact CB-CG2 3.99Å; A687-M765 HydrophobicContact CB-CE 4.22Å; A687-M765 HydrophobicContact CB-SD 3.8Å; A687-I772 HydrophobicContact CB-CD1 3.64Å; A687-I772 HydrophobicContact CB-CG1 4.5Å |
| 688 | C | 88.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 111.5 | 173.4 | -66 | 0 | 0 | 0 | 0 | 109.3 | F669 I676 T679 V695 R696 F698 | F669-C688 HydrophobicContact CE1-CB 4.43Å; F669-C688 HydrophobicContact CZ-CB 3.96Å; I676-C688 HydrophobicContact CG2-CB 3.86Å; T679-C688 HydrophobicContact CG2-CB 4.47Å; C688-V695 WeakPolarHBondContact O-CA 3.36Å; C688-R696 PolarHBondContact N-O 2.69Å; C688-R696 PolarHBondContact O-N 2.75Å; C688-F698 HydrophobicContact CB-CE2 4.01Å |
| 689 | L | 87.2 | Confident | 83.7 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 142.7 | 171.5 | 179.2 | 67.3 | 0 | 0 | 0 | 110.1 | I676 T677 V678 K694 V695 L714 I760 I763 | I676-L689 CarbonylContact C-O 3.54Å; I676-L689 WeakPolarHBondContact CA-O 3.3Å; I676-L689 WeakPolarHBondContact CG2-O 3.29Å; T677-L689 PolarHBondContact N-O 3.47Å; T677-L689 PolarHBondContact OG1-O 2.6Å; V678-L689 HydrophobicContact CB-CB 4.28Å; V678-L689 HydrophobicContact CB-CD2 4.24Å; V678-L689 HydrophobicContact CG2-CD2 4.14Å; V678-L689 PolarHBondContact N-O 2.71Å; V678-L689 PolarHBondContact O-N 2.97Å; L689-K694 CarbonylContact C-O 3.56Å; L689-K694 WeakPolarHBondContact CA-O 3.25Å; L689-V695 HydrophobicContact CB-CG2 4.29Å; L689-V695 HydrophobicContact CD1-CG2 3.62Å; L689-L714 HydrophobicContact CD1-CD1 4.14Å; L689-I760 HydrophobicContact CD1-CD1 4.08Å; L689-I760 HydrophobicContact CD2-CB 4.03Å; L689-I760 HydrophobicContact CD2-CD1 4.36Å; L689-I760 HydrophobicContact CD2-CG2 3.73Å; L689-I763 HydrophobicContact CB-CD1 4.29Å |
| 690 | T | 87.4 | Confident | 83.6 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 168 | 178.4 | 68.9 | 0 | 0 | 0 | 0 | 113.9 | F669 E673 S675 Q692 N693 K694 | F669-T690 HydrophobicContact CD1-CG2 3.59Å; F669-T690 HydrophobicContact CE1-CG2 3.75Å; E673-T690 WeakPolarHBondContact O-CB 3.34Å; E673-T690 WeakPolarHBondContact O-CG2 3.38Å; E673-T690 PolarHBondContact O-OG1 2.83Å; S675-T690 CarbonylContact O-C 3.59Å; S675-T690 WeakPolarHBondContact O-CA 3.39Å; S675-T690 WeakPolarHBondContact O-CB 3.27Å; T690-Q692 PolarHBondContact O-N 3.05Å; T690-Q692 PolarHBondContact OG1-N 2.86Å; T690-N693 WeakPolarHBondContact O-CA 3.3Å; T690-N693 PolarHBondContact O-N 3.33Å; T690-K694 PolarHBondContact N-O 3.01Å; T690-K694 PolarHBondContact OG1-N 2.63Å; T690-K694 PolarHBondContact OG1-O 3.35Å |
| 691 | D | 83.8 | Confident | 83.3 | Confident | 60 Ų | 60 | 26.5 Ų | 26.5 | 32% | 0.321 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15.7 | 172.6 | 60.4 | 41.4 | 0 | 0 | 0 | 114.7 | G674 S675 T677 | G674-D691 WeakPolarHBondContact CA-OD1 3.14Å; S675-D691 WeakPolarHBondContact CA-OD2 3.46Å; S675-D691 VanDerWaalsContact CB-OD2 3.26Å; S675-D691 WeakPolarHBondContact CB-OD2 3.47Å; S675-D691 PolarHBondContact N-OD1 2.8Å; S675-D691 PolarHBondContact N-OD2 2.97Å; S675-D691 PolarHBondContact O-N 2.85Å; S675-D691 PolarHBondContact OG-OD2 3.09Å; T677-D691 HydrophobicContact CG2-CB 3.87Å |
| 692 | Q | 80.2 | Confident | 83.2 | Confident | 93 Ų | 93 | 28.7 Ų | 28.7 | 44% | 0.435 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 14.6 | 168.8 | -52.7 | -54.7 | -62.3 | 0 | 0 | 112.7 | E673 T690 K694 S713 | E673-Q692 WeakPolarHBondContact O-CB 3.16Å; E673-Q692 WeakPolarHBondContact O-CG 3.45Å; T690-Q692 PolarHBondContact O-N 3.05Å; T690-Q692 PolarHBondContact OG1-N 2.86Å; Q692-K694 HydrophobicContact CB-CD 4.36Å; Q692-K694 PolarHBondContact O-N 2.82Å; Q692-S713 PolarHBondContact O-OG 3.47Å |
| 693 | N | 79.6 | Confident | 83.1 | Confident | 23 Ų | 23 | 39.5 Ų | 39.5 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 53.5 | 32.8 | -175.1 | -62 | -38.2 | 0 | 0 | 0 | 113.9 | T690 S713 L714 T715 I760 | T690-N693 WeakPolarHBondContact O-CA 3.3Å; T690-N693 PolarHBondContact O-N 3.33Å; N693-S713 CarbonylContact O-C 3.58Å; N693-L714 PolarHBondContact O-N 2.98Å; N693-T715 HydrophobicContact CB-CG2 4.16Å; N693-T715 WeakPolarHBondContact CB-OG1 3.49Å; N693-T715 WeakPolarHBondContact ND2-CG2 3.07Å; N693-T715 PolarHBondContact ND2-OG1 3.5Å; N693-I760 HydrophobicContact CB-CD1 4.05Å |
| 694 | K | 83.3 | Confident | 83.5 | Confident | 54 Ų | 54 | 43.3 Ų | 43.3 | 24% | 0.235 | 20% | 0.199 | C | C | . | . | trans | -100.5 | 146.2 | 174.4 | -68.8 | 168.5 | -179.3 | 176.4 | 0 | 109.8 | I672 E673 L689 T690 Q692 | I672-K694 PolarHBondContact O-NZ 2.81Å; E673-K694 HydrophobicContact CG-CD 4.43Å; L689-K694 CarbonylContact C-O 3.56Å; L689-K694 WeakPolarHBondContact CA-O 3.25Å; T690-K694 PolarHBondContact N-O 3.01Å; T690-K694 PolarHBondContact OG1-N 2.63Å; T690-K694 PolarHBondContact OG1-O 3.35Å; Q692-K694 HydrophobicContact CB-CD 4.36Å; Q692-K694 PolarHBondContact O-N 2.82Å | ||
| 695 | V | 85 | Confident | 83.6 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 134 | 175 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | A687 C688 L689 V697 S711 L714 I763 I772 | A687-V695 HydrophobicContact CB-CG1 4.16Å; C688-V695 WeakPolarHBondContact O-CA 3.36Å; L689-V695 HydrophobicContact CB-CG2 4.29Å; L689-V695 HydrophobicContact CD1-CG2 3.62Å; V695-V697 HydrophobicContact CG1-CG2 4.2Å; V695-S711 PolarHBondContact N-OG 3.41Å; V695-S711 PolarHBondContact O-N 3.16Å; V695-S711 PolarHBondContact O-OG 2.9Å; V695-L714 HydrophobicContact CG2-CD1 3.62Å; V695-L714 HydrophobicContact CG2-CG 4.26Å; V695-I763 HydrophobicContact CG2-CD1 4.24Å; V695-I772 HydrophobicContact CG1-CD1 3.68Å |
| 696 | R | 86.3 | Confident | 83.4 | Confident | 36 Ų | 36 | 44.3 Ų | 44.3 | 14% | 0.136 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 130.2 | 159.6 | -65.6 | -169.5 | 177.8 | 169.7 | -18.9 | 108.8 | N668 F669 E673 C688 F698 T710 | N668-R696 PolarHBondContact O-NH1 3.4Å; N668-R696 PolarHBondContact O-NH2 2.99Å; F669-R696 HydrophobicContact CE1-CB 4.16Å; F669-R696 HydrophobicContact CE1-CG 3.85Å; F669-R696 HydrophobicContact CZ-CB 4.33Å; F669-R696 HydrophobicContact CZ-CG 4.38Å; E673-R696 IonicContact OE1-CZ 2.69Å; E673-R696 IonicContact OE1-NE 2.69Å; E673-R696 PolarHBondContact OE1-NE 3.21Å; E673-R696 IonicContact OE1-NH2 2.89Å; E673-R696 PolarHBondContact OE1-NH2 3.1Å; E673-R696 IonicContact OE2-CZ 2.86Å; E673-R696 IonicContact OE2-NH2 3.1Å; E673-R696 PolarHBondContact OE2-NH2 2.64Å; C688-R696 PolarHBondContact N-O 2.69Å; C688-R696 PolarHBondContact O-N 2.75Å; R696-F698 HydrophobicContact CB-CE2 3.68Å; R696-F698 HydrophobicContact CB-CZ 3.67Å; R696-F698 HydrophobicContact CG-CZ 4.43Å; R696-T710 HydrophobicContact CG-CG2 4.2Å |
| 697 | V | 86.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 140.8 | 167.2 | 175.8 | 0 | 0 | 0 | 0 | 110.1 | Y685 M686 A687 V695 S707 T708 N709 M765 I772 L841 | Y685-V697 HydrophobicContact CD1-CG1 4.27Å; M686-V697 WeakPolarHBondContact O-CA 3.42Å; A687-V697 HydrophobicContact CB-CG2 3.99Å; V695-V697 HydrophobicContact CG1-CG2 4.2Å; V697-S707 CarbonylContact O-C 3.59Å; V697-S707 WeakPolarHBondContact O-CA 3.5Å; V697-T708 PolarHBondContact O-N 2.86Å; V697-T708 PolarHBondContact O-OG1 2.88Å; V697-N709 PolarHBondContact N-O 3.03Å; V697-M765 HydrophobicContact CG1-SD 4.04Å; V697-M765 HydrophobicContact CG2-SD 3.97Å; V697-I772 HydrophobicContact CG2-CD1 3.72Å; V697-L841 HydrophobicContact CB-CD1 4.3Å; V697-L841 HydrophobicContact CG2-CD1 3.43Å; V697-L841 VanDerWaalsContact CG2-CD1 3.43Å; V697-L841 HydrophobicContact CG2-CD2 4.19Å; V697-L841 HydrophobicContact CG2-CG 4.48Å |
| 698 | F | 87.7 | Confident | 82.8 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 128.9 | 178.2 | -61.9 | -77.8 | 0 | 0 | 0 | 110.3 | L654 I667 F669 Y685 M686 C688 R696 L700 I705 | L654-F698 HydrophobicContact CD2-CD2 4.02Å; L654-F698 HydrophobicContact CD2-CE2 4Å; L654-F698 HydrophobicContact CD2-CG 4.48Å; L654-F698 HydrophobicContact CD2-CZ 4.44Å; I667-F698 HydrophobicContact CD1-CD1 4.06Å; I667-F698 HydrophobicContact CD1-CE1 4Å; I667-F698 HydrophobicContact CG2-CE1 3.63Å; I667-F698 HydrophobicContact CG2-CZ 3.7Å; F669-F698 HydrophobicContact CE2-CZ 4.25Å; F669-F698 AromaticContact CZ-CE2 3.92Å; F669-F698 HydrophobicContact CZ-CE2 3.92Å; F669-F698 AromaticContact CZ-CZ 3.87Å; F669-F698 HydrophobicContact CZ-CZ 3.87Å; Y685-F698 WeakPolarHBondContact CA-O 3.44Å; M686-F698 PolarHBondContact N-O 2.89Å; M686-F698 PolarHBondContact O-N 2.87Å; C688-F698 HydrophobicContact CB-CE2 4.01Å; R696-F698 HydrophobicContact CB-CE2 3.68Å; R696-F698 HydrophobicContact CB-CZ 3.67Å; R696-F698 HydrophobicContact CG-CZ 4.43Å; F698-L700 HydrophobicContact CB-CD2 4.04Å; F698-I705 HydrophobicContact CB-CG2 3.77Å; F698-I705 HydrophobicContact CD1-CG2 4.11Å; F698-I705 HydrophobicContact CG-CG2 4.26Å |
| 699 | D | 85.3 | Confident | 81.9 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 114.1 | 166.7 | 175.9 | -1.9 | 0 | 0 | 0 | 109 | Y685 S701 K702 T708 | Y685-D699 HydrophobicContact CD1-CB 4.15Å; Y685-D699 HydrophobicContact CE1-CB 3.96Å; D699-S701 VanDerWaalsContact OD1-CB 3.27Å; D699-S701 WeakPolarHBondContact OD1-CB 3.18Å; D699-S701 PolarHBondContact OD1-N 3.41Å; D699-S701 PolarHBondContact OD1-OG 2.89Å; D699-S701 PolarHBondContact OD2-OG 3.28Å; D699-K702 HydrophobicContact CB-CD 4.4Å; D699-K702 WeakPolarHBondContact OD2-CE 3.46Å; D699-K702 WeakPolarHBondContact OD2-CG 3.47Å; D699-K702 IonicContact OD2-NZ 3.7Å; D699-K702 PolarHBondContact OD2-NZ 2.63Å; D699-T708 HydrophobicContact CB-CG2 3.82Å |
| 700 | L | 84.2 | Confident | 81 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -85.7 | -10.2 | -175.3 | -43.7 | -178.1 | 0 | 0 | 0 | 112.9 | H642 F647 Q681 T684 M686 F698 K702 I705 | H642-L700 HydrophobicContact CB-CB 3.87Å; H642-L700 HydrophobicContact CB-CD1 3.61Å; H642-L700 HydrophobicContact CB-CG 4.42Å; H642-L700 PolarHBondContact CD2-O 2.89Å; F647-L700 HydrophobicContact CE1-CD2 3.84Å; F647-L700 HydrophobicContact CE2-CD1 3.98Å; F647-L700 HydrophobicContact CE2-CD2 4.29Å; F647-L700 HydrophobicContact CZ-CB 4.25Å; F647-L700 HydrophobicContact CZ-CD1 4.15Å; F647-L700 HydrophobicContact CZ-CD2 3.66Å; F647-L700 HydrophobicContact CZ-CG 4.22Å; Q681-L700 HydrophobicContact CG-CD1 4.14Å; T684-L700 WeakPolarHBondContact O-CA 3.19Å; T684-L700 WeakPolarHBondContact O-CB 3.36Å; T684-L700 VanDerWaalsContact O-CG 3.28Å; T684-L700 WeakPolarHBondContact O-CG 3.4Å; T684-L700 PolarHBondContact O-N 3.03Å; M686-L700 HydrophobicContact CB-CD1 4.04Å; M686-L700 HydrophobicContact CB-CD2 3.91Å; M686-L700 HydrophobicContact CB-CG 4.31Å; M686-L700 HydrophobicContact CE-CD2 4.28Å; F698-L700 HydrophobicContact CB-CD2 4.04Å; L700-K702 VanDerWaalsContact C-N 3.34Å; L700-I705 HydrophobicContact CD2-CD1 4.33Å; L700-I705 HydrophobicContact CD2-CG2 4.19Å |
| 701 | S | 78.5 | Confident | 80.1 | Confident | 63 Ų | 63 | 56.1 Ų | 56.1 | 44% | 0.441 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -75 | -25.8 | 177.5 | 74.8 | 0 | 0 | 0 | 0 | 112.3 | D699 | D699-S701 VanDerWaalsContact OD1-CB 3.27Å; D699-S701 WeakPolarHBondContact OD1-CB 3.18Å; D699-S701 PolarHBondContact OD1-N 3.41Å; D699-S701 PolarHBondContact OD1-OG 2.89Å; D699-S701 PolarHBondContact OD2-OG 3.28Å |
| 702 | K | 77.5 | Confident | 79.4 | Confident | 103 Ų | 103 | 58.9 Ų | 58.9 | 45% | 0.448 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -74.7 | 137.1 | -178.2 | -69.5 | -179.6 | 169.4 | 93.2 | 0 | 111.5 | D699 L700 E704 I705 | D699-K702 HydrophobicContact CB-CD 4.4Å; D699-K702 WeakPolarHBondContact OD2-CE 3.46Å; D699-K702 WeakPolarHBondContact OD2-CG 3.47Å; D699-K702 IonicContact OD2-NZ 3.7Å; D699-K702 PolarHBondContact OD2-NZ 2.63Å; L700-K702 VanDerWaalsContact C-N 3.34Å; K702-E704 VanDerWaalsContact CB-O 3.3Å; K702-E704 WeakPolarHBondContact CB-O 3.23Å; K702-E704 CarbonylContact O-C 3.14Å; K702-E704 PolarHBondContact O-N 2.75Å; K702-I705 WeakPolarHBondContact O-CG1 2.96Å |
| 703 | R | 75.9 | Confident | 79.2 | Confident | 242 Ų | 242 | 54.9 Ų | 54.9 | 91% | 0.913 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -56.3 | -36.8 | 178.5 | -179.1 | 178.9 | 176.3 | -179.7 | 0.1 | 113 | ||
| 704 | E | 80.2 | Confident | 79.2 | Confident | 116 Ų | 116 | 53.8 Ų | 53.8 | 54% | 0.542 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -107.6 | 118.4 | 163.6 | -65.3 | -178.8 | 154.2 | 0 | 0 | 107.4 | K702 K706 | K702-E704 VanDerWaalsContact CB-O 3.3Å; K702-E704 WeakPolarHBondContact CB-O 3.23Å; K702-E704 CarbonylContact O-C 3.14Å; K702-E704 PolarHBondContact O-N 2.75Å; E704-K706 PolarHBondContact O-N 2.95Å; E704-K706 VanDerWaalsContact O-N 3.16Å; E704-K706 WeakPolarHBondContact OE2-CE 3.42Å; E704-K706 IonicContact OE2-NZ 3.69Å; E704-K706 PolarHBondContact OE2-NZ 3.29Å |
| 705 | I | 82.5 | Confident | 79 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | trans | -80.8 | 103.2 | -175.7 | -64 | -177.9 | 0 | 0 | 0 | 107.7 | F647 V656 Q665 I667 F698 L700 K702 | F647-I705 HydrophobicContact CE1-CD1 3.48Å; F647-I705 VanDerWaalsContact CE1-CD1 3.48Å; F647-I705 HydrophobicContact CZ-CD1 3.5Å; V656-I705 HydrophobicContact CG1-CD1 3.9Å; V656-I705 HydrophobicContact CG2-CD1 4.22Å; Q665-I705 PolarHBondContact NE2-O 2.87Å; I667-I705 HydrophobicContact CD1-CB 4.32Å; I667-I705 HydrophobicContact CD1-CG2 4.02Å; F698-I705 HydrophobicContact CB-CG2 3.77Å; F698-I705 HydrophobicContact CD1-CG2 4.11Å; F698-I705 HydrophobicContact CG-CG2 4.26Å; L700-I705 HydrophobicContact CD2-CD1 4.33Å; L700-I705 HydrophobicContact CD2-CG2 4.19Å; K702-I705 WeakPolarHBondContact O-CG1 2.96Å | ||
| 706 | K | 80.4 | Confident | 78.6 | Confident | 120 Ų | 120 | 56.1 Ų | 56.1 | 52% | 0.522 | 27% | 0.272 | S | S | . | . | trans | -104.8 | 146 | -178.9 | -69.4 | 172.2 | -176.4 | 170 | 0 | 108.7 | E704 T708 | E704-K706 PolarHBondContact O-N 2.95Å; E704-K706 VanDerWaalsContact O-N 3.16Å; E704-K706 WeakPolarHBondContact OE2-CE 3.42Å; E704-K706 IonicContact OE2-NZ 3.69Å; E704-K706 PolarHBondContact OE2-NZ 3.29Å; K706-T708 PolarHBondContact O-N 3.08Å | ||
| 707 | S | 80.9 | Confident | 78.3 | Confident | 52 Ų | 52 | 55.6 Ų | 55.6 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 129.8 | 169.8 | 49.2 | 0 | 0 | 0 | 0 | 108.8 | V697 | V697-S707 CarbonylContact O-C 3.59Å; V697-S707 WeakPolarHBondContact O-CA 3.5Å |
| 708 | T | 77.7 | Confident | 78 | Confident | 58 Ų | 58 | 55.6 Ų | 55.6 | 36% | 0.356 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -63.7 | 171.7 | 52.9 | 0 | 0 | 0 | 0 | 108.6 | V697 D699 K706 | V697-T708 PolarHBondContact O-N 2.86Å; V697-T708 PolarHBondContact O-OG1 2.88Å; D699-T708 HydrophobicContact CB-CG2 3.82Å; K706-T708 PolarHBondContact O-N 3.08Å |
| 709 | N | 71 | Confident | 77.5 | Confident | 42 Ų | 42 | 55.7 Ų | 55.7 | 23% | 0.225 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 141.5 | -174 | -50.2 | 31.7 | 0 | 0 | 0 | 108.5 | V697 L841 D842 | V697-N709 PolarHBondContact N-O 3.03Å; N709-L841 HydrophobicContact CB-CB 4.17Å; N709-L841 HydrophobicContact CB-CD2 4.09Å; N709-L841 VanDerWaalsContact ND2-C 3.25Å; N709-L841 PolarHBondContact ND2-O 2.78Å; N709-D842 PolarHBondContact ND2-OD1 2.72Å |
| 710 | T | 68.1 | Low | 77.2 | Confident | 90 Ų | 90 | 62.7 Ų | 62.7 | 55% | 0.552 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 112.9 | 175.4 | 57.2 | 0 | 0 | 0 | 0 | 108.7 | R696 | R696-T710 HydrophobicContact CG-CG2 4.2Å |
| 711 | S | 67.1 | Low | 76.7 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 8% | 0.077 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 155.9 | -175.8 | 81.6 | 0 | 0 | 0 | 0 | 112.4 | V695 | V695-S711 PolarHBondContact N-OG 3.41Å; V695-S711 PolarHBondContact O-N 3.16Å; V695-S711 PolarHBondContact O-OG 2.9Å |
| 712 | K | 68.9 | Low | 76.3 | Confident | 117 Ų | 117 | 64.1 Ų | 64.1 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 167.7 | 153.9 | -66.8 | 158 | -176.9 | 163.5 | 0 | 109.2 | L714 L717 D844 | K712-L714 PolarHBondContact O-N 3.33Å; K712-L714 VanDerWaalsContact O-N 3.14Å; K712-L717 HydrophobicContact CB-CD2 4.42Å; K712-L717 HydrophobicContact CB-CG 4.35Å; K712-L717 HydrophobicContact CD-CD2 4.08Å; K712-D844 IonicContact NZ-OD2 3.61Å; K712-D844 PolarHBondContact NZ-OD2 2.96Å |
| 713 | S | 75.9 | Confident | 76 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 6% | 0.063 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 121.9 | 173.5 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | Q692 N693 T715 Q716 L717 | Q692-S713 PolarHBondContact O-OG 3.47Å; N693-S713 CarbonylContact O-C 3.58Å; S713-T715 PolarHBondContact O-N 3.35Å; S713-T715 PolarHBondContact OG-OG1 3.07Å; S713-T715 VanDerWaalsContact OG-OG1 3.11Å; S713-Q716 WeakPolarHBondContact O-CA 3.15Å; S713-Q716 WeakPolarHBondContact O-CB 3.01Å; S713-Q716 PolarHBondContact O-N 3.37Å; S713-L717 PolarHBondContact O-N 2.89Å |
| 714 | L | 80.8 | Confident | 75.7 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.4 | -36.3 | -177.4 | -70.5 | -178.7 | 0 | 0 | 0 | 110.9 | L689 N693 V695 K712 Q716 L717 V718 I760 F774 Y839 | L689-L714 HydrophobicContact CD1-CD1 4.14Å; N693-L714 PolarHBondContact O-N 2.98Å; V695-L714 HydrophobicContact CG2-CD1 3.62Å; V695-L714 HydrophobicContact CG2-CG 4.26Å; K712-L714 PolarHBondContact O-N 3.33Å; K712-L714 VanDerWaalsContact O-N 3.14Å; L714-Q716 VanDerWaalsContact C-N 3.28Å; L714-Q716 PolarHBondContact O-N 3.09Å; L714-L717 HydrophobicContact CD2-CD1 4.23Å; L714-L717 PolarHBondContact O-N 3.36Å; L714-V718 WeakPolarHBondContact O-CB 3.49Å; L714-V718 WeakPolarHBondContact O-CG2 3.42Å; L714-V718 PolarHBondContact O-N 3.08Å; L714-I760 HydrophobicContact CB-CD1 3.84Å; L714-I760 HydrophobicContact CD1-CD1 3.82Å; L714-I760 HydrophobicContact CG-CD1 4.46Å; L714-F774 HydrophobicContact CB-CE2 4.23Å; L714-F774 HydrophobicContact CB-CZ 4.21Å; L714-F774 HydrophobicContact CD1-CD1 4.48Å; L714-F774 HydrophobicContact CD1-CD2 4.28Å; L714-F774 HydrophobicContact CD1-CE1 4.25Å; L714-F774 HydrophobicContact CD1-CE2 4.02Å; L714-F774 HydrophobicContact CD1-CG 4.49Å; L714-F774 HydrophobicContact CD1-CZ 4Å; L714-F774 HydrophobicContact CD2-CE1 4.27Å; L714-F774 HydrophobicContact CD2-CZ 4.06Å; L714-F774 HydrophobicContact CG-CZ 4.33Å; L714-Y839 HydrophobicContact CD2-CD1 4.05Å; L714-Y839 HydrophobicContact CD2-CE1 4.4Å; L714-Y839 HydrophobicContact CD2-CG 4.25Å |
| 715 | T | 78.2 | Confident | 74.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.8 | -25.8 | 174.3 | 39.2 | 0 | 0 | 0 | 0 | 113.7 | N693 S713 L719 L758 | N693-T715 HydrophobicContact CB-CG2 4.16Å; N693-T715 WeakPolarHBondContact CB-OG1 3.49Å; N693-T715 WeakPolarHBondContact ND2-CG2 3.07Å; N693-T715 PolarHBondContact ND2-OG1 3.5Å; S713-T715 PolarHBondContact O-N 3.35Å; S713-T715 PolarHBondContact OG-OG1 3.07Å; S713-T715 VanDerWaalsContact OG-OG1 3.11Å; T715-L719 WeakPolarHBondContact O-CB 3.45Å; T715-L719 WeakPolarHBondContact O-CG 3.11Å; T715-L719 PolarHBondContact O-N 2.97Å; T715-L758 HydrophobicContact CG2-CB 3.53Å; T715-L758 HydrophobicContact CG2-CD1 3.95Å; T715-L758 HydrophobicContact CG2-CG 4.4Å |
| 716 | Q | 78.2 | Confident | 74 | Confident | 104 Ų | 104 | 51.3 Ų | 51.3 | 49% | 0.486 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -74.7 | -38.7 | 170.6 | -69.8 | 177 | -36.2 | 0 | 0 | 112 | S713 L714 V718 Y720 I755 | S713-Q716 WeakPolarHBondContact O-CA 3.15Å; S713-Q716 WeakPolarHBondContact O-CB 3.01Å; S713-Q716 PolarHBondContact O-N 3.37Å; L714-Q716 VanDerWaalsContact C-N 3.28Å; L714-Q716 PolarHBondContact O-N 3.09Å; Q716-V718 VanDerWaalsContact C-N 3.33Å; Q716-Y720 VanDerWaalsContact O-CB 3.32Å; Q716-Y720 WeakPolarHBondContact O-CB 3.33Å; Q716-Y720 PolarHBondContact O-N 3.41Å; Q716-I755 HydrophobicContact CG-CD1 4.02Å |
| 717 | L | 79.3 | Confident | 72.9 | Confident | 25 Ų | 25 | 49.1 Ų | 49.1 | 13% | 0.131 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 173.8 | -64.5 | 175.3 | 0 | 0 | 0 | 111.3 | K712 S713 L714 Q721 Y839 L846 | K712-L717 HydrophobicContact CB-CD2 4.42Å; K712-L717 HydrophobicContact CB-CG 4.35Å; K712-L717 HydrophobicContact CD-CD2 4.08Å; S713-L717 PolarHBondContact O-N 2.89Å; L714-L717 HydrophobicContact CD2-CD1 4.23Å; L714-L717 PolarHBondContact O-N 3.36Å; L717-Q721 PolarHBondContact O-N 2.87Å; L717-Y839 HydrophobicContact CD1-CD2 4.06Å; L717-Y839 HydrophobicContact CD1-CE2 3.6Å; L717-L846 HydrophobicContact CB-CD2 3.92Å |
| 718 | V | 80.2 | Confident | 71.9 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.1 | -48.7 | 176.4 | 172 | 0 | 0 | 0 | 0 | 111.2 | L714 Q716 Y720 Q721 L722 L758 F774 I776 Y837 L846 | L714-V718 WeakPolarHBondContact O-CB 3.49Å; L714-V718 WeakPolarHBondContact O-CG2 3.42Å; L714-V718 PolarHBondContact O-N 3.08Å; Q716-V718 VanDerWaalsContact C-N 3.33Å; V718-Y720 VanDerWaalsContact C-N 3.3Å; V718-Y720 PolarHBondContact O-N 3.48Å; V718-Q721 PolarHBondContact O-N 2.77Å; V718-Q721 VanDerWaalsContact O-N 3.15Å; V718-L722 HydrophobicContact CG1-CD1 3.85Å; V718-L722 HydrophobicContact CG1-CG 4.29Å; V718-L722 VanDerWaalsContact O-CG 3.31Å; V718-L722 WeakPolarHBondContact O-CG 3.31Å; V718-L722 PolarHBondContact O-N 2.94Å; V718-L758 HydrophobicContact CB-CD1 4.4Å; V718-L758 HydrophobicContact CG1-CD1 3.94Å; V718-F774 HydrophobicContact CG2-CE2 4.36Å; V718-F774 HydrophobicContact CG2-CZ 4.38Å; V718-I776 HydrophobicContact CB-CD1 4.1Å; V718-I776 HydrophobicContact CG1-CD1 3.72Å; V718-I776 HydrophobicContact CG2-CD1 3.34Å; V718-Y837 HydrophobicContact CG1-CE1 4.49Å; V718-Y837 HydrophobicContact CG2-CD1 4.34Å; V718-Y837 HydrophobicContact CG2-CE1 4.22Å; V718-L846 HydrophobicContact CG2-CD2 3.77Å |
| 719 | L | 77.7 | Confident | 70.7 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.3 | -40.4 | 175.7 | -76.5 | 170.4 | 0 | 0 | 0 | 112.1 | T715 L722 F723 L754 I755 L758 L784 | T715-L719 WeakPolarHBondContact O-CB 3.45Å; T715-L719 WeakPolarHBondContact O-CG 3.11Å; T715-L719 PolarHBondContact O-N 2.97Å; L719-L722 PolarHBondContact O-N 2.83Å; L719-F723 HydrophobicContact CB-CD2 4.42Å; L719-F723 HydrophobicContact CB-CE2 4.31Å; L719-F723 HydrophobicContact CD2-CE2 4.5Å; L719-F723 WeakPolarHBondContact O-CB 3.23Å; L719-F723 WeakPolarHBondContact O-CD2 3.41Å; L719-F723 WeakPolarHBondContact O-CG 3.29Å; L719-F723 PolarHBondContact O-N 3.05Å; L719-L754 HydrophobicContact CD1-CB 4.34Å; L719-L754 HydrophobicContact CD2-CB 4.24Å; L719-I755 HydrophobicContact CD1-CB 4.49Å; L719-I755 HydrophobicContact CD1-CG1 3.52Å; L719-L758 HydrophobicContact CD2-CD1 4.01Å; L719-L758 HydrophobicContact CG-CD1 3.83Å; L719-L784 HydrophobicContact CD2-CD1 3.61Å; L719-L784 HydrophobicContact CD2-CD2 3.93Å; L719-L784 HydrophobicContact CD2-CG 4.45Å |
| 720 | Y | 77.1 | Confident | 69.4 | Low | 154 Ų | 154 | 59.1 Ų | 59.1 | 60% | 0.604 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.7 | -45 | 174.6 | -178.2 | -108.6 | 0 | 0 | 0 | 111.8 | Q716 V718 F723 N724 | Q716-Y720 VanDerWaalsContact O-CB 3.32Å; Q716-Y720 WeakPolarHBondContact O-CB 3.33Å; Q716-Y720 PolarHBondContact O-N 3.41Å; V718-Y720 VanDerWaalsContact C-N 3.3Å; V718-Y720 PolarHBondContact O-N 3.48Å; Y720-F723 PolarHBondContact O-N 2.81Å; Y720-N724 WeakPolarHBondContact CE1-ND2 3.45Å; Y720-N724 WeakPolarHBondContact O-CB 3.29Å; Y720-N724 PolarHBondContact O-N 2.96Å; Y720-N724 PolarHBondContact O-ND2 3.27Å |
| 721 | Q | 74.5 | Confident | 68.4 | Low | 79 Ų | 79 | 59 Ų | 59 | 37% | 0.369 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 176.5 | -169.3 | 66.2 | 4.1 | 0 | 0 | 112.5 | L717 V718 S725 | L717-Q721 PolarHBondContact O-N 2.87Å; V718-Q721 PolarHBondContact O-N 2.77Å; V718-Q721 VanDerWaalsContact O-N 3.15Å; Q721-S725 PolarHBondContact O-N 3.39Å; Q721-S725 VanDerWaalsContact O-N 3.08Å |
| 722 | L | 70.1 | Confident | 67.3 | Low | 15 Ų | 15 | 62.8 Ų | 62.8 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 177 | -67.8 | 172.3 | 0 | 0 | 0 | 112.1 | V718 L719 N724 S725 I726 L784 L788 | V718-L722 HydrophobicContact CG1-CD1 3.85Å; V718-L722 HydrophobicContact CG1-CG 4.29Å; V718-L722 VanDerWaalsContact O-CG 3.31Å; V718-L722 WeakPolarHBondContact O-CG 3.31Å; V718-L722 PolarHBondContact O-N 2.94Å; L719-L722 PolarHBondContact O-N 2.83Å; L722-N724 PolarHBondContact O-N 2.9Å; L722-S725 PolarHBondContact O-N 3.31Å; L722-S725 PolarHBondContact O-OG 3.24Å; L722-I726 WeakPolarHBondContact O-CG1 3.45Å; L722-I726 PolarHBondContact O-N 3.11Å; L722-L784 HydrophobicContact CD1-CD2 4.27Å; L722-L788 HydrophobicContact CD2-CD2 4.07Å |
| 723 | F | 70.6 | Confident | 65.6 | Low | 48 Ų | 48 | 62.1 Ų | 62.1 | 21% | 0.211 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 176.3 | -74.5 | -50.7 | 0 | 0 | 0 | 112.3 | L719 Y720 I726 A727 L747 L754 | L719-F723 HydrophobicContact CB-CD2 4.42Å; L719-F723 HydrophobicContact CB-CE2 4.31Å; L719-F723 HydrophobicContact CD2-CE2 4.5Å; L719-F723 WeakPolarHBondContact O-CB 3.23Å; L719-F723 WeakPolarHBondContact O-CD2 3.41Å; L719-F723 WeakPolarHBondContact O-CG 3.29Å; L719-F723 PolarHBondContact O-N 3.05Å; Y720-F723 PolarHBondContact O-N 2.81Å; F723-I726 PolarHBondContact O-N 2.94Å; F723-A727 WeakPolarHBondContact O-CB 3.29Å; F723-A727 PolarHBondContact O-N 2.86Å; F723-L747 HydrophobicContact CE1-CB 4.34Å; F723-L747 HydrophobicContact CE1-CD1 4.23Å; F723-L747 HydrophobicContact CZ-CB 4.36Å; F723-L754 HydrophobicContact CE1-CD1 4.5Å; F723-L754 HydrophobicContact CE2-CD1 4.44Å; F723-L754 HydrophobicContact CZ-CD1 3.62Å |
| 724 | N | 70 | Confident | 63.7 | Low | 50 Ų | 50 | 69.1 Ų | 69.1 | 27% | 0.267 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 173.3 | -71.1 | -22 | 0 | 0 | 0 | 111.6 | Y720 L722 A727 Q728 | Y720-N724 WeakPolarHBondContact CE1-ND2 3.45Å; Y720-N724 WeakPolarHBondContact O-CB 3.29Å; Y720-N724 PolarHBondContact O-N 2.96Å; Y720-N724 PolarHBondContact O-ND2 3.27Å; L722-N724 PolarHBondContact O-N 2.9Å; N724-A727 PolarHBondContact O-N 2.84Å; N724-Q728 WeakPolarHBondContact O-CB 3.49Å; N724-Q728 VanDerWaalsContact O-CG 3.24Å; N724-Q728 WeakPolarHBondContact O-CG 3.3Å; N724-Q728 PolarHBondContact O-N 2.82Å |
| 725 | S | 63.8 | Low | 61.7 | Low | 52 Ų | 52 | 74.7 Ų | 74.7 | 36% | 0.364 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.9 | -32.1 | 178.6 | 70.7 | 0 | 0 | 0 | 0 | 113.4 | Q721 L722 N729 | Q721-S725 PolarHBondContact O-N 3.39Å; Q721-S725 VanDerWaalsContact O-N 3.08Å; L722-S725 PolarHBondContact O-N 3.31Å; L722-S725 PolarHBondContact O-OG 3.24Å; S725-N729 PolarHBondContact O-ND2 3.35Å |
| 726 | I | 62.6 | Low | 60.1 | Low | 45 Ų | 45 | 77.7 Ų | 77.7 | 23% | 0.231 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -68.2 | -45.9 | 171.8 | -66.4 | 165.2 | 0 | 0 | 0 | 110.6 | L722 F723 Q728 N729 L788 | L722-I726 WeakPolarHBondContact O-CG1 3.45Å; L722-I726 PolarHBondContact O-N 3.11Å; F723-I726 PolarHBondContact O-N 2.94Å; I726-Q728 PolarHBondContact O-N 3.42Å; I726-N729 PolarHBondContact O-N 3.06Å; I726-L788 HydrophobicContact CD1-CD2 4.13Å |
| 727 | A | 59.1 | Low | 58.7 | Low | 74 Ų | 74 | 78.1 Ų | 78.1 | 61% | 0.612 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -66.1 | -20.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F723 N724 | F723-A727 WeakPolarHBondContact O-CB 3.29Å; F723-A727 PolarHBondContact O-N 2.86Å; N724-A727 PolarHBondContact O-N 2.84Å |
| 728 | Q | 58.3 | Low | 57.4 | Low | 151 Ų | 151 | 81 Ų | 81 | 71% | 0.706 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -3 | -178.7 | -71.8 | 173 | 3 | 0 | 0 | 114.4 | N724 I726 P730 | N724-Q728 WeakPolarHBondContact O-CB 3.49Å; N724-Q728 VanDerWaalsContact O-CG 3.24Å; N724-Q728 WeakPolarHBondContact O-CG 3.3Å; N724-Q728 PolarHBondContact O-N 2.82Å; I726-Q728 PolarHBondContact O-N 3.42Å; Q728-P730 WeakPolarHBondContact O-CD 3.48Å |
| 729 | N | 53 | Low | 55.8 | Low | 89 Ų | 89 | 82 Ų | 82 | 48% | 0.476 | 46% | 0.459 | S | S | . | . | trans | -109.9 | 91.4 | -177 | -85.9 | -74.4 | 0 | 0 | 0 | 112.7 | S725 I726 S731 | S725-N729 PolarHBondContact O-ND2 3.35Å; I726-N729 PolarHBondContact O-N 3.06Å; N729-S731 PolarHBondContact O-N 3.19Å | ||
| 730 | P | 43.4 | Very low | 54.6 | Low | 122 Ų | 122 | 84.9 Ų | 84.9 | 79% | 0.792 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 0.8 | -179.7 | 31.6 | -37 | 0 | 0 | 0 | 114.7 | Q728 I732 | Q728-P730 WeakPolarHBondContact O-CD 3.48Å; P730-I732 VanDerWaalsContact C-N 3.29Å; P730-I732 PolarHBondContact O-N 3Å |
| 731 | S | 47.5 | Very low | 53.6 | Low | 89 Ų | 89 | 83 Ų | 83 | 62% | 0.622 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -2.6 | -175.1 | 49.1 | 0 | 0 | 0 | 0 | 115.1 | N729 S733 | N729-S731 PolarHBondContact O-N 3.19Å; S731-S733 PolarHBondContact O-N 3.5Å |
| 732 | I | 44.6 | Very low | 52.5 | Low | 90 Ų | 90 | 84.9 Ų | 84.9 | 46% | 0.462 | 48% | 0.479 | S | S | . | . | trans | -81.8 | 52.3 | 177.9 | -45.3 | -177.7 | 0 | 0 | 0 | 110.6 | P730 N734 | P730-I732 VanDerWaalsContact C-N 3.29Å; P730-I732 PolarHBondContact O-N 3Å; I732-N734 VanDerWaalsContact C-N 3.32Å; I732-N734 PolarHBondContact O-N 3.43Å | ||
| 733 | S | 32.8 | Very low | 51.6 | Low | 103 Ų | 103 | 87.5 Ų | 87.5 | 72% | 0.72 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 61.7 | -171.2 | 51.4 | 0 | 0 | 0 | 0 | 114.1 | S731 | S731-S733 PolarHBondContact O-N 3.5Š|
| 734 | N | 36.1 | Very low | 50.9 | Low | 156 Ų | 156 | 88.2 Ų | 88.2 | 83% | 0.834 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.5 | 0.1 | 158.1 | -104.7 | -37.8 | 0 | 0 | 0 | 113.5 | I732 | I732-N734 VanDerWaalsContact C-N 3.32Å; I732-N734 PolarHBondContact O-N 3.43Å |
| 735 | Y | 38.6 | Very low | 50.3 | Low | 118 Ų | 118 | 91.9 Ų | 91.9 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -113.3 | 133.6 | 172.6 | -81.1 | -77.9 | 0 | 0 | 0 | 109.4 | S739 F790 | Y735-S739 WeakPolarHBondContact CB-OG 3.36Å; Y735-F790 HydrophobicContact CE2-CD1 4.15Å; Y735-F790 AromaticContact CE2-CE1 3.59Å; Y735-F790 HydrophobicContact CE2-CE1 3.59Å; Y735-F790 AromaticContact CE2-CZ 3.93Å; Y735-F790 HydrophobicContact CE2-CZ 3.93Å; Y735-F790 AromaticContact CZ-CE1 3.78Å; Y735-F790 WeakPolarHBondContact OH-CE1 3.23Å |
| 736 | S | 43.7 | Very low | 49.7 | Very low | 63 Ų | 63 | 94.8 Ų | 94.8 | 44% | 0.441 | 52% | 0.523 | S | S | . | . | trans | -62.4 | 148.9 | 179.9 | 61.8 | 0 | 0 | 0 | 0 | 110.5 | T738 S739 I740 | S736-T738 PolarHBondContact O-N 3.15Å; S736-T738 VanDerWaalsContact O-N 3.1Å; S736-T738 PolarHBondContact OG-OG1 3.15Å; S736-S739 PolarHBondContact N-OG 3.14Å; S736-S739 PolarHBondContact O-N 3.11Å; S736-S739 PolarHBondContact O-OG 3.35Å; S736-S739 PolarHBondContact OG-N 3.41Å; S736-S739 PolarHBondContact OG-OG 3.38Å; S736-I740 PolarHBondContact O-N 3.23Å | ||
| 737 | T | 49.8 | Very low | 49.1 | Very low | 113 Ų | 113 | 93.5 Ų | 93.5 | 69% | 0.693 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -55.5 | -28.8 | 174.5 | 47.2 | 0 | 0 | 0 | 0 | 112.6 | Q741 | T737-Q741 WeakPolarHBondContact O-CB 3.42Å; T737-Q741 WeakPolarHBondContact O-CG 3.38Å; T737-Q741 PolarHBondContact O-N 3.05Å |
| 738 | T | 51.4 | Low | 48.9 | Very low | 84 Ų | 84 | 96 Ų | 96 | 52% | 0.515 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -51.5 | 169.4 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | S736 I740 Q741 E742 | S736-T738 PolarHBondContact O-N 3.15Å; S736-T738 VanDerWaalsContact O-N 3.1Å; S736-T738 PolarHBondContact OG-OG1 3.15Å; T738-I740 PolarHBondContact O-N 3.19Å; T738-Q741 CarbonylContact O-C 3.43Å; T738-Q741 PolarHBondContact O-N 2.94Å; T738-E742 WeakPolarHBondContact O-CB 3.44Å; T738-E742 WeakPolarHBondContact O-CG 3.33Å; T738-E742 PolarHBondContact O-N 3.2Å |
| 739 | S | 48 | Very low | 48.8 | Very low | 23 Ų | 23 | 97.4 Ų | 97.4 | 16% | 0.161 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -65.9 | -34.5 | -179.3 | 66 | 0 | 0 | 0 | 0 | 113.2 | Y735 S736 N743 | Y735-S739 WeakPolarHBondContact CB-OG 3.36Å; S736-S739 PolarHBondContact N-OG 3.14Å; S736-S739 PolarHBondContact O-N 3.11Å; S736-S739 PolarHBondContact O-OG 3.35Å; S736-S739 PolarHBondContact OG-N 3.41Å; S736-S739 PolarHBondContact OG-OG 3.38Å; S739-N743 VanDerWaalsContact O-CB 3.31Å; S739-N743 WeakPolarHBondContact O-CB 3.36Å; S739-N743 PolarHBondContact O-N 2.78Å; S739-N743 PolarHBondContact O-ND2 2.8Å |
| 740 | I | 52.1 | Low | 48.7 | Very low | 64 Ų | 64 | 94 Ų | 94 | 33% | 0.328 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.2 | -42.6 | 173.4 | -62.9 | 176.4 | 0 | 0 | 0 | 110.4 | S736 T738 I744 | S736-I740 PolarHBondContact O-N 3.23Å; T738-I740 PolarHBondContact O-N 3.19Å; I740-I744 HydrophobicContact CG2-CD1 3.87Å; I740-I744 WeakPolarHBondContact O-CB 3.19Å; I740-I744 VanDerWaalsContact O-CG1 3.28Å; I740-I744 WeakPolarHBondContact O-CG1 3.23Å; I740-I744 PolarHBondContact O-N 3.43Å |
| 741 | Q | 55 | Low | 49.3 | Very low | 114 Ų | 114 | 91.2 Ų | 91.2 | 53% | 0.533 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69 | -34 | 174.9 | -76.1 | -170.3 | -0.4 | 0 | 0 | 113.6 | T737 T738 K745 | T737-Q741 WeakPolarHBondContact O-CB 3.42Å; T737-Q741 WeakPolarHBondContact O-CG 3.38Å; T737-Q741 PolarHBondContact O-N 3.05Å; T738-Q741 CarbonylContact O-C 3.43Å; T738-Q741 PolarHBondContact O-N 2.94Å; Q741-K745 WeakPolarHBondContact O-CB 3Å; Q741-K745 WeakPolarHBondContact O-CD 3.22Å; Q741-K745 WeakPolarHBondContact O-CG 3.36Å; Q741-K745 PolarHBondContact O-N 2.91Å |
| 742 | E | 52.5 | Low | 50 | Low | 120 Ų | 120 | 93.1 Ų | 93.1 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.1 | -44.9 | 174.4 | -76 | 176 | 148.7 | 0 | 0 | 110.7 | T738 K745 L746 | T738-E742 WeakPolarHBondContact O-CB 3.44Å; T738-E742 WeakPolarHBondContact O-CG 3.33Å; T738-E742 PolarHBondContact O-N 3.2Å; E742-K745 PolarHBondContact O-N 2.71Å; E742-L746 WeakPolarHBondContact O-CB 3.49Å; E742-L746 VanDerWaalsContact O-CG 3.27Å; E742-L746 WeakPolarHBondContact O-CG 3.36Å; E742-L746 PolarHBondContact O-N 2.7Å |
| 743 | N | 50.6 | Low | 50.8 | Low | 70 Ų | 70 | 94.9 Ų | 94.9 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.4 | -47.8 | 172.5 | -72.8 | -21.4 | 0 | 0 | 0 | 111.3 | S739 K745 L746 L747 | S739-N743 VanDerWaalsContact O-CB 3.31Å; S739-N743 WeakPolarHBondContact O-CB 3.36Å; S739-N743 PolarHBondContact O-N 2.78Å; S739-N743 PolarHBondContact O-ND2 2.8Å; N743-K745 VanDerWaalsContact C-N 3.33Å; N743-K745 PolarHBondContact O-N 2.91Å; N743-L746 PolarHBondContact O-N 3.1Å; N743-L747 WeakPolarHBondContact O-CB 3.33Å; N743-L747 WeakPolarHBondContact O-CD1 3.36Å; N743-L747 WeakPolarHBondContact O-CG 3.16Å; N743-L747 PolarHBondContact O-N 3.01Å |
| 744 | I | 55.6 | Low | 52.5 | Low | 62 Ų | 62 | 90 Ų | 90 | 32% | 0.318 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 177 | -70.7 | 168.6 | 0 | 0 | 0 | 111.8 | I740 L747 H748 | I740-I744 HydrophobicContact CG2-CD1 3.87Å; I740-I744 WeakPolarHBondContact O-CB 3.19Å; I740-I744 VanDerWaalsContact O-CG1 3.28Å; I740-I744 WeakPolarHBondContact O-CG1 3.23Å; I740-I744 PolarHBondContact O-N 3.43Å; I744-L747 PolarHBondContact O-N 3.01Å; I744-H748 PolarHBondContact O-CD2 2.87Å; I744-H748 PolarHBondContact O-N 2.99Å |
| 745 | K | 57.8 | Low | 54 | Low | 128 Ų | 128 | 84.3 Ų | 84.3 | 56% | 0.557 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.4 | -38.6 | 175 | -75.6 | 166.1 | -174.9 | 167.5 | 0 | 112.7 | Q741 E742 N743 | Q741-K745 WeakPolarHBondContact O-CB 3Å; Q741-K745 WeakPolarHBondContact O-CD 3.22Å; Q741-K745 WeakPolarHBondContact O-CG 3.36Å; Q741-K745 PolarHBondContact O-N 2.91Å; E742-K745 PolarHBondContact O-N 2.71Å; N743-K745 VanDerWaalsContact C-N 3.33Å; N743-K745 PolarHBondContact O-N 2.91Å |
| 746 | L | 51.1 | Low | 55.6 | Low | 113 Ų | 113 | 83.6 Ų | 83.6 | 59% | 0.592 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66 | -42.2 | 173.5 | -71.2 | 164.6 | 0 | 0 | 0 | 111.1 | E742 N743 H748 H749 S750 | E742-L746 WeakPolarHBondContact O-CB 3.49Å; E742-L746 VanDerWaalsContact O-CG 3.27Å; E742-L746 WeakPolarHBondContact O-CG 3.36Å; E742-L746 PolarHBondContact O-N 2.7Å; N743-L746 PolarHBondContact O-N 3.1Å; L746-H748 PolarHBondContact O-N 2.99Å; L746-H749 CarbonylContact O-C 3.57Å; L746-H749 WeakPolarHBondContact O-CA 3.47Å; L746-H749 WeakPolarHBondContact O-CB 3.5Å; L746-H749 PolarHBondContact O-N 3.05Å; L746-S750 PolarHBondContact O-N 2.93Å |
| 747 | L | 50.2 | Low | 57.3 | Low | 17 Ų | 17 | 81.8 Ų | 81.8 | 9% | 0.089 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 179.4 | -68.3 | 162.4 | 0 | 0 | 0 | 112.8 | F723 N743 I744 H749 S750 N751 L754 L787 | F723-L747 HydrophobicContact CE1-CB 4.34Å; F723-L747 HydrophobicContact CE1-CD1 4.23Å; F723-L747 HydrophobicContact CZ-CB 4.36Å; N743-L747 WeakPolarHBondContact O-CB 3.33Å; N743-L747 WeakPolarHBondContact O-CD1 3.36Å; N743-L747 WeakPolarHBondContact O-CG 3.16Å; N743-L747 PolarHBondContact O-N 3.01Å; I744-L747 PolarHBondContact O-N 3.01Å; L747-H749 PolarHBondContact O-N 2.91Å; L747-S750 PolarHBondContact O-N 3.29Å; L747-S750 VanDerWaalsContact O-N 3.14Å; L747-N751 PolarHBondContact O-N 2.77Å; L747-L754 HydrophobicContact CD2-CD1 3.78Å; L747-L787 HydrophobicContact CD1-CD1 3.72Å; L747-L787 HydrophobicContact CD1-CD2 3.9Å; L747-L787 HydrophobicContact CD1-CG 4.49Å; L747-L787 HydrophobicContact CD2-CD1 3.55Å; L747-L787 HydrophobicContact CG-CD1 4.3Å |
| 748 | H | 54.7 | Low | 58.8 | Low | 128 Ų | 128 | 76.7 Ų | 76.7 | 59% | 0.593 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60 | -23.8 | 169.7 | -80.5 | -58.5 | 0 | 0 | 0 | 113.4 | I744 L746 N751 | I744-H748 PolarHBondContact O-CD2 2.87Å; I744-H748 PolarHBondContact O-N 2.99Å; L746-H748 PolarHBondContact O-N 2.99Å; H748-N751 PolarHBondContact O-ND2 2.94Å; H748-N751 VanDerWaalsContact O-ND2 3.13Å |
| 749 | H | 55.9 | Low | 60.4 | Low | 180 Ų | 180 | 75.3 Ų | 75.3 | 83% | 0.833 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -92.5 | -25.5 | 171.7 | -75 | -34.2 | 0 | 0 | 0 | 114.2 | L746 L747 | L746-H749 CarbonylContact O-C 3.57Å; L746-H749 WeakPolarHBondContact O-CA 3.47Å; L746-H749 WeakPolarHBondContact O-CB 3.5Å; L746-H749 PolarHBondContact O-N 3.05Å; L747-H749 PolarHBondContact O-N 2.91Å |
| 750 | S | 52.1 | Low | 62.1 | Low | 17 Ų | 17 | 74.8 Ų | 74.8 | 12% | 0.119 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -92.8 | 7.1 | 179.5 | 72.5 | 0 | 0 | 0 | 0 | 115.7 | L746 L747 N752 Q753 | L746-S750 PolarHBondContact O-N 2.93Å; L747-S750 PolarHBondContact O-N 3.29Å; L747-S750 VanDerWaalsContact O-N 3.14Å; S750-N752 PolarHBondContact O-N 2.97Å; S750-Q753 PolarHBondContact O-N 3.3Å |
| 751 | N | 56.1 | Low | 63.6 | Low | 63 Ų | 63 | 73.7 Ų | 73.7 | 34% | 0.337 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -37 | -39.2 | 178.2 | -92.5 | -49.4 | 0 | 0 | 0 | 116.3 | L747 H748 I755 | L747-N751 PolarHBondContact O-N 2.77Å; H748-N751 PolarHBondContact O-ND2 2.94Å; H748-N751 VanDerWaalsContact O-ND2 3.13Å; N751-I755 WeakPolarHBondContact O-CG1 3.41Å |
| 752 | N | 60.8 | Low | 65.1 | Low | 130 Ų | 130 | 72.2 Ų | 72.2 | 70% | 0.695 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -75.9 | -18.5 | -179.4 | -76.4 | -14 | 0 | 0 | 0 | 114.6 | S750 N756 | S750-N752 PolarHBondContact O-N 2.97Å; N752-N756 PolarHBondContact O-ND2 2.86Å |
| 753 | Q | 63.1 | Low | 66.8 | Low | 126 Ų | 126 | 66.9 Ų | 66.9 | 59% | 0.589 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -81 | -47.7 | 177.8 | -71.1 | 174.1 | -71.4 | 0 | 0 | 110.7 | S750 I755 N756 | S750-Q753 PolarHBondContact O-N 3.3Å; Q753-I755 VanDerWaalsContact C-N 3.27Å; Q753-I755 PolarHBondContact O-N 2.85Å; Q753-N756 WeakPolarHBondContact O-CB 3.46Å; Q753-N756 PolarHBondContact O-N 3.25Å; Q753-N756 PolarHBondContact O-ND2 2.64Å |
| 754 | L | 67.5 | Low | 68.6 | Low | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.5 | -30.2 | -178.5 | -59.2 | 169.6 | 0 | 0 | 0 | 113.9 | L719 F723 L747 N756 E757 E783 L784 | L719-L754 HydrophobicContact CD1-CB 4.34Å; L719-L754 HydrophobicContact CD2-CB 4.24Å; F723-L754 HydrophobicContact CE1-CD1 4.5Å; F723-L754 HydrophobicContact CE2-CD1 4.44Å; F723-L754 HydrophobicContact CZ-CD1 3.62Å; L747-L754 HydrophobicContact CD2-CD1 3.78Å; L754-N756 PolarHBondContact O-N 3.45Å; L754-E757 WeakPolarHBondContact O-CB 3.44Å; L754-E757 PolarHBondContact O-N 3.4Å; L754-E783 HydrophobicContact CD2-CB 3.73Å; L754-L784 HydrophobicContact CD2-CB 4.16Å; L754-L784 HydrophobicContact CD2-CD1 4.47Å |
| 755 | I | 67.9 | Low | 70.1 | Confident | 38 Ų | 38 | 61.5 Ų | 61.5 | 20% | 0.195 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -58.3 | -28.9 | 174.1 | -68.9 | 168.1 | 0 | 0 | 0 | 111.6 | Q716 L719 N751 Q753 E757 | Q716-I755 HydrophobicContact CG-CD1 4.02Å; L719-I755 HydrophobicContact CD1-CB 4.49Å; L719-I755 HydrophobicContact CD1-CG1 3.52Å; N751-I755 WeakPolarHBondContact O-CG1 3.41Å; Q753-I755 VanDerWaalsContact C-N 3.27Å; Q753-I755 PolarHBondContact O-N 2.85Å; I755-E757 PolarHBondContact O-N 3.17Å |
| 756 | N | 72.4 | Confident | 71.3 | Confident | 102 Ų | 102 | 55.6 Ų | 55.6 | 55% | 0.545 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -83.4 | 4.3 | 178 | -59.9 | -78.4 | 0 | 0 | 0 | 113.9 | N752 Q753 L754 K828 | N752-N756 PolarHBondContact O-ND2 2.86Å; Q753-N756 WeakPolarHBondContact O-CB 3.46Å; Q753-N756 PolarHBondContact O-N 3.25Å; Q753-N756 PolarHBondContact O-ND2 2.64Å; L754-N756 PolarHBondContact O-N 3.45Å; N756-K828 PolarHBondContact O-NZ 3.25Å |
| 757 | E | 78.4 | Confident | 72.5 | Confident | 25 Ų | 25 | 54 Ų | 54 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -108.1 | 4.9 | 178.6 | -52.7 | -165.6 | 153.7 | 0 | 0 | 113.1 | L754 I755 I778 L779 G782 E783 L784 W830 | L754-E757 WeakPolarHBondContact O-CB 3.44Å; L754-E757 PolarHBondContact O-N 3.4Å; I755-E757 PolarHBondContact O-N 3.17Å; E757-I778 WeakPolarHBondContact O-CA 3.43Å; E757-L779 HydrophobicContact CB-CB 4Å; E757-L779 HydrophobicContact CG-CD2 4.16Å; E757-L779 PolarHBondContact O-N 3.25Å; E757-G782 WeakPolarHBondContact OE1-CA 3.31Å; E757-G782 WeakPolarHBondContact OE2-CA 3.44Å; E757-E783 PolarHBondContact OE1-N 2.97Å; E757-E783 PolarHBondContact OE2-N 3.33Å; E757-L784 HydrophobicContact CB-CB 4.48Å; E757-L784 VanDerWaalsContact OE2-CB 3.31Å; E757-L784 WeakPolarHBondContact OE2-CB 3.37Å; E757-L784 PolarHBondContact OE2-N 3.16Å; E757-W830 VanDerWaalsContact C-CZ3 3.5Å; E757-W830 WeakPolarHBondContact O-CZ3 3.18Å |
| 758 | L | 82.3 | Confident | 73.7 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 138.9 | 174.1 | -66.3 | 179.8 | 0 | 0 | 0 | 111.6 | T715 V718 L719 I776 E777 I778 L784 W830 | T715-L758 HydrophobicContact CG2-CB 3.53Å; T715-L758 HydrophobicContact CG2-CD1 3.95Å; T715-L758 HydrophobicContact CG2-CG 4.4Å; V718-L758 HydrophobicContact CB-CD1 4.4Å; V718-L758 HydrophobicContact CG1-CD1 3.94Å; L719-L758 HydrophobicContact CD2-CD1 4.01Å; L719-L758 HydrophobicContact CG-CD1 3.83Å; L758-I776 HydrophobicContact CD2-CG2 4Å; L758-E777 WeakPolarHBondContact CA-O 3.38Å; L758-I778 HydrophobicContact CD2-CB 4.47Å; L758-I778 HydrophobicContact CD2-CD1 4.26Å; L758-I778 HydrophobicContact CD2-CG1 3.8Å; L758-I778 HydrophobicContact CD2-CG2 4.49Å; L758-L784 HydrophobicContact CD1-CD2 4.28Å; L758-L784 HydrophobicContact CD2-CD2 3.53Å; L758-L784 HydrophobicContact CG-CD2 3.85Å; L758-W830 VanDerWaalsContact C-CZ3 3.5Å |
| 759 | N | 83.9 | Confident | 74.8 | Confident | 55 Ų | 55 | 49.4 Ų | 49.4 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.5 | 175.6 | -178.8 | 43.2 | 0 | 0 | 0 | 110.3 | I776 E777 W830 | N759-I776 CarbonylContact O-C 3.56Å; N759-I776 VanDerWaalsContact O-CA 3.26Å; N759-I776 WeakPolarHBondContact O-CA 3.32Å; N759-I776 WeakPolarHBondContact O-CG2 3.5Å; N759-E777 HydrophobicContact CB-CB 4.37Å; N759-E777 PolarHBondContact N-O 3.03Å; N759-E777 PolarHBondContact ND2-OE2 2.9Å; N759-E777 PolarHBondContact O-N 3.44Å; N759-W830 HydrophobicContact CB-CD2 3.94Å; N759-W830 HydrophobicContact CB-CE3 3.68Å; N759-W830 HydrophobicContact CB-CH2 3.77Å; N759-W830 HydrophobicContact CB-CZ2 4.02Å; N759-W830 HydrophobicContact CB-CZ3 3.58Å |
| 760 | I | 85.3 | Confident | 75.7 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 6% | 0.056 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 119.4 | 177.3 | -63.4 | 171.1 | 0 | 0 | 0 | 108.9 | L689 N693 L714 F774 T775 | L689-I760 HydrophobicContact CD1-CD1 4.08Å; L689-I760 HydrophobicContact CD2-CB 4.03Å; L689-I760 HydrophobicContact CD2-CD1 4.36Å; L689-I760 HydrophobicContact CD2-CG2 3.73Å; N693-I760 HydrophobicContact CB-CD1 4.05Å; L714-I760 HydrophobicContact CB-CD1 3.84Å; L714-I760 HydrophobicContact CD1-CD1 3.82Å; L714-I760 HydrophobicContact CG-CD1 4.46Å; I760-F774 HydrophobicContact CD1-CD2 4.33Å; I760-F774 HydrophobicContact CD1-CE2 4.34Å; I760-F774 HydrophobicContact CG1-CD2 4.34Å; I760-F774 HydrophobicContact CG2-CB 4.33Å; I760-F774 HydrophobicContact CG2-CD2 4.04Å; I760-T775 CarbonylContact C-O 3.5Å; I760-T775 WeakPolarHBondContact CA-O 3.47Å |
| 761 | S | 82.9 | Confident | 77.2 | Confident | 42 Ų | 42 | 41.8 Ų | 41.8 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -36.5 | -167.4 | 52.1 | 0 | 0 | 0 | 0 | 114.8 | T775 | S761-T775 PolarHBondContact N-O 2.83Å; S761-T775 WeakPolarHBondContact OG-CB 3.04Å; S761-T775 PolarHBondContact OG-O 3.33Å; S761-T775 PolarHBondContact OG-OG1 3.18Å |
| 762 | W | 86 | Confident | 78.7 | Confident | 82 Ų | 82 | 38.9 Ų | 38.9 | 31% | 0.311 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 154.4 | 176.9 | -158.9 | -98.3 | 0 | 0 | 0 | 110.8 | F774 T775 H896 H897 Y898 | W762-F774 WeakPolarHBondContact O-CA 3.5Å; W762-F774 VanDerWaalsContact O-CB 3.26Å; W762-F774 WeakPolarHBondContact O-CB 3.35Å; W762-T775 VanDerWaalsContact CB-OG1 3.32Å; W762-T775 WeakPolarHBondContact CB-OG1 3.28Å; W762-T775 PolarHBondContact N-OG1 3.49Å; W762-T775 VanDerWaalsContact N-OG1 3.08Å; W762-T775 PolarHBondContact O-N 3.13Å; W762-T775 VanDerWaalsContact O-N 3.11Å; W762-H896 AromaticContact CE3-CD2 3.97Å; W762-H896 AromaticContact CZ3-CD2 3.86Å; W762-H897 AromaticContact CD1-CE1 3.41Å; W762-H897 VanDerWaalsContact CD1-CE1 3.41Å; W762-H897 AromaticContact CD1-ND1 3.48Å; W762-H897 AromaticContact CD1-NE2 3.9Å; W762-H897 PolarHBondContact NE1-O 2.8Å; W762-Y898 HydrophobicContact CZ2-CE1 4.34Å; W762-Y898 AromaticContact CZ2-CZ 4Å |
| 763 | I | 88.8 | Confident | 80 | Confident | 9 Ų | 9 | 32.7 Ų | 32.7 | 5% | 0.046 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 134.5 | 177.3 | -169.4 | 174.3 | 0 | 0 | 0 | 109.3 | V678 A680 L689 V695 I772 A773 F774 | V678-I763 HydrophobicContact CB-CG2 4.02Å; V678-I763 HydrophobicContact CG1-CG2 3.48Å; V678-I763 VanDerWaalsContact CG1-CG2 3.48Å; A680-I763 HydrophobicContact CB-CG2 4.34Å; L689-I763 HydrophobicContact CB-CD1 4.29Å; V695-I763 HydrophobicContact CG2-CD1 4.24Å; I763-I772 HydrophobicContact CD1-CG2 3.72Å; I763-I772 HydrophobicContact CG1-CG2 3.52Å; I763-A773 CarbonylContact C-O 3.57Å; I763-A773 WeakPolarHBondContact CA-O 3.43Å; I763-F774 HydrophobicContact CB-CB 4.39Å; I763-F774 HydrophobicContact CG1-CB 4.31Å |
| 764 | S | 87.5 | Confident | 81.2 | Confident | 14 Ų | 14 | 26.7 Ų | 26.7 | 10% | 0.098 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 158.7 | 169.5 | 72.6 | 0 | 0 | 0 | 0 | 110.8 | I772 A773 H897 W899 | S764-I772 WeakPolarHBondContact O-CA 3.26Å; S764-A773 PolarHBondContact N-O 2.65Å; S764-A773 PolarHBondContact O-N 2.78Å; S764-H897 WeakPolarHBondContact CB-O 3.43Å; S764-H897 PolarHBondContact OG-CD2 3.05Å; S764-H897 PolarHBondContact OG-O 2.85Å; S764-W899 VanDerWaalsContact OG-CD1 3.29Å |
| 765 | M | 86.5 | Confident | 82.2 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.02 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 146.5 | -167.9 | -174.1 | 175.3 | 63 | 0 | 0 | 110 | A680 C682 Y685 A687 V697 G769 S771 I772 W899 | A680-M765 HydrophobicContact CB-CB 4.44Å; C682-M765 WeakPolarHBondContact CB-O 3.33Å; Y685-M765 VanDerWaalsContact C-CE 3.41Å; Y685-M765 VanDerWaalsContact CB-CE 3.48Å; Y685-M765 WeakPolarHBondContact O-CE 3.33Å; A687-M765 HydrophobicContact CB-CE 4.22Å; A687-M765 HydrophobicContact CB-SD 3.8Å; V697-M765 HydrophobicContact CG1-SD 4.04Å; V697-M765 HydrophobicContact CG2-SD 3.97Å; M765-G769 VanDerWaalsContact SD-O 3.37Å; M765-S771 WeakPolarHBondContact CA-O 3.4Å; M765-I772 HydrophobicContact CB-CG1 4.2Å; M765-I772 HydrophobicContact CG-CG1 3.9Å; M765-I772 HydrophobicContact SD-CD1 4.27Å; M765-I772 HydrophobicContact SD-CG1 4.07Å; M765-W899 VanDerWaalsContact O-CD1 3.24Å |
| 766 | N | 83 | Confident | 83.1 | Confident | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.027 | 13% | 0.131 | C | C | . | . | trans | -74 | 165.2 | -179.9 | 64.6 | -8.2 | 0 | 0 | 0 | 113.3 | S768 G769 N770 S771 W899 | N766-S768 VanDerWaalsContact CG-OG 3.32Å; N766-S768 PolarHBondContact ND2-OG 2.86Å; N766-S768 PolarHBondContact O-N 2.88Å; N766-S768 PolarHBondContact OD1-OG 2.81Å; N766-G769 PolarHBondContact O-N 3.36Å; N766-G769 PolarHBondContact OD1-N 3.4Å; N766-G769 VanDerWaalsContact OD1-N 3.11Å; N766-N770 PolarHBondContact ND2-OD1 3.35Å; N766-N770 PolarHBondContact OD1-N 2.9Å; N766-N770 VanDerWaalsContact OD1-N 3.15Å; N766-N770 PolarHBondContact OD1-OD1 3.33Å; N766-S771 PolarHBondContact N-O 3.04Å; N766-S771 WeakPolarHBondContact ND2-CB 3.22Å; N766-S771 PolarHBondContact ND2-OG 3.05Å; N766-S771 PolarHBondContact OD1-N 2.86Å; N766-S771 VanDerWaalsContact OD1-N 3.11Å; N766-S771 PolarHBondContact OD1-O 3.13Å; N766-W899 HydrophobicContact CB-CD2 3.7Å; N766-W899 HydrophobicContact CB-CE3 3.61Å; N766-W899 HydrophobicContact CB-CG 4.37Å; N766-W899 HydrophobicContact CB-CH2 3.76Å; N766-W899 HydrophobicContact CB-CZ2 3.9Å; N766-W899 HydrophobicContact CB-CZ3 3.64Å | ||
| 767 | K | 76.9 | Confident | 83.8 | Confident | 78 Ų | 78 | 22.1 Ų | 22.1 | 34% | 0.339 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -24.3 | 178.8 | -175.7 | -176 | 179.3 | -170.9 | 0 | 114.1 | C682 Y902 | C682-K767 VanDerWaalsContact SG-CA 3.55Å; C682-K767 PolarHBondContact SG-N 3.08Å; C682-K767 VanDerWaalsContact SG-N 3.44Å; K767-Y902 WeakPolarHBondContact CD-O 3.05Å; K767-Y902 PolarHBondContact NZ-O 3.28Å |
| 768 | S | 75.2 | Confident | 84 | Confident | 45 Ų | 45 | 20.9 Ų | 20.9 | 32% | 0.315 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -0.1 | 176.9 | 54.7 | 0 | 0 | 0 | 0 | 115 | Y685 N766 N770 | Y685-S768 VanDerWaalsContact CD2-C 3.47Å; Y685-S768 VanDerWaalsContact CE2-C 3.4Å; Y685-S768 VanDerWaalsContact CE2-O 3.27Å; Y685-S768 WeakPolarHBondContact CE2-O 3.22Å; N766-S768 VanDerWaalsContact CG-OG 3.32Å; N766-S768 PolarHBondContact ND2-OG 2.86Å; N766-S768 PolarHBondContact O-N 2.88Å; N766-S768 PolarHBondContact OD1-OG 2.81Å; S768-N770 PolarHBondContact O-N 2.95Å; S768-N770 VanDerWaalsContact O-N 3.12Å; S768-N770 PolarHBondContact OG-OD1 2.78Å |
| 769 | G | 77.3 | Confident | 84 | Confident | 4 Ų | 4 | 21.5 Ų | 21.5 | 4% | 0.041 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 72.7 | -0.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | Y685 M765 N766 L841 | Y685-G769 VanDerWaalsContact CG-CA 3.43Å; M765-G769 VanDerWaalsContact SD-O 3.37Å; N766-G769 PolarHBondContact O-N 3.36Å; N766-G769 PolarHBondContact OD1-N 3.4Å; N766-G769 VanDerWaalsContact OD1-N 3.11Å; G769-L841 WeakPolarHBondContact O-CD1 3.38Å |
| 770 | N | 75.2 | Confident | 83.6 | Confident | 36 Ų | 36 | 21.4 Ų | 21.4 | 19% | 0.193 | 11% | 0.112 | C | C | . | . | trans | -102.5 | -16.7 | -170 | 65 | -14.8 | 0 | 0 | 0 | 114.9 | N766 S768 L841 D842 | N766-N770 PolarHBondContact ND2-OD1 3.35Å; N766-N770 PolarHBondContact OD1-N 2.9Å; N766-N770 VanDerWaalsContact OD1-N 3.15Å; N766-N770 PolarHBondContact OD1-OD1 3.33Å; S768-N770 PolarHBondContact O-N 2.95Å; S768-N770 VanDerWaalsContact O-N 3.12Å; S768-N770 PolarHBondContact OG-OD1 2.78Å; N770-L841 PolarHBondContact O-N 3.04Å; N770-D842 WeakPolarHBondContact CB-OD2 3.43Å; N770-D842 PolarHBondContact ND2-OD2 3.1Å | ||
| 771 | S | 83.9 | Confident | 83 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.007 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 118.8 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | M765 N766 H840 | M765-S771 WeakPolarHBondContact CA-O 3.4Å; N766-S771 PolarHBondContact N-O 3.04Å; N766-S771 WeakPolarHBondContact ND2-CB 3.22Å; N766-S771 PolarHBondContact ND2-OG 3.05Å; N766-S771 PolarHBondContact OD1-N 2.86Å; N766-S771 VanDerWaalsContact OD1-N 3.11Å; N766-S771 PolarHBondContact OD1-O 3.13Å; S771-H840 PolarHBondContact OG-CE1 3.08Å; S771-H840 PolarHBondContact OG-ND1 2.96Å |
| 772 | I | 87.3 | Confident | 82.4 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.8 | 177.7 | -69.1 | -175.9 | 0 | 0 | 0 | 109.1 | A687 V695 V697 I763 S764 M765 F774 I838 Y839 L841 | A687-I772 HydrophobicContact CB-CD1 3.64Å; A687-I772 HydrophobicContact CB-CG1 4.5Å; V695-I772 HydrophobicContact CG1-CD1 3.68Å; V697-I772 HydrophobicContact CG2-CD1 3.72Å; I763-I772 HydrophobicContact CD1-CG2 3.72Å; I763-I772 HydrophobicContact CG1-CG2 3.52Å; S764-I772 WeakPolarHBondContact O-CA 3.26Å; M765-I772 HydrophobicContact CB-CG1 4.2Å; M765-I772 HydrophobicContact CG-CG1 3.9Å; M765-I772 HydrophobicContact SD-CD1 4.27Å; M765-I772 HydrophobicContact SD-CG1 4.07Å; I772-F774 HydrophobicContact CG2-CD1 4.35Å; I772-I838 CarbonylContact O-C 3.59Å; I772-I838 WeakPolarHBondContact O-CA 3.13Å; I772-Y839 PolarHBondContact N-O 2.92Å; I772-Y839 PolarHBondContact O-N 2.91Å; I772-L841 HydrophobicContact CD1-CD1 3.74Å; I772-L841 HydrophobicContact CD1-CD2 4.5Å; I772-L841 HydrophobicContact CD1-CG 4.43Å; I772-L841 HydrophobicContact CG1-CD1 3.87Å |
| 773 | A | 87.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 132.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | I763 S764 I836 Y837 I838 H897 L907 | I763-A773 CarbonylContact C-O 3.57Å; I763-A773 WeakPolarHBondContact CA-O 3.43Å; S764-A773 PolarHBondContact N-O 2.65Å; S764-A773 PolarHBondContact O-N 2.78Å; A773-I836 HydrophobicContact CB-CD1 4.27Å; A773-Y837 CarbonylContact C-O 3.59Å; A773-Y837 VanDerWaalsContact CA-O 3.29Å; A773-Y837 WeakPolarHBondContact CA-O 3.38Å; A773-I838 HydrophobicContact CB-CG1 4.23Å; A773-H897 VanDerWaalsContact CB-CD2 3.49Å; A773-H897 WeakPolarHBondContact CB-CD2 3.35Å; A773-H897 WeakPolarHBondContact CB-NE2 3.42Å; A773-H897 PolarHBondContact O-NE2 2.82Å; A773-L907 HydrophobicContact CB-CD2 4.24Å |
| 774 | F | 89.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 163.5 | 179.6 | 69.7 | -78.7 | 0 | 0 | 0 | 112.5 | L714 V718 I760 W762 I763 I772 I776 Y837 L846 | L714-F774 HydrophobicContact CB-CE2 4.23Å; L714-F774 HydrophobicContact CB-CZ 4.21Å; L714-F774 HydrophobicContact CD1-CD1 4.48Å; L714-F774 HydrophobicContact CD1-CD2 4.28Å; L714-F774 HydrophobicContact CD1-CE1 4.25Å; L714-F774 HydrophobicContact CD1-CE2 4.02Å; L714-F774 HydrophobicContact CD1-CG 4.49Å; L714-F774 HydrophobicContact CD1-CZ 4Å; L714-F774 HydrophobicContact CD2-CE1 4.27Å; L714-F774 HydrophobicContact CD2-CZ 4.06Å; L714-F774 HydrophobicContact CG-CZ 4.33Å; V718-F774 HydrophobicContact CG2-CE2 4.36Å; V718-F774 HydrophobicContact CG2-CZ 4.38Å; I760-F774 HydrophobicContact CD1-CD2 4.33Å; I760-F774 HydrophobicContact CD1-CE2 4.34Å; I760-F774 HydrophobicContact CG1-CD2 4.34Å; I760-F774 HydrophobicContact CG2-CB 4.33Å; I760-F774 HydrophobicContact CG2-CD2 4.04Å; W762-F774 WeakPolarHBondContact O-CA 3.5Å; W762-F774 VanDerWaalsContact O-CB 3.26Å; W762-F774 WeakPolarHBondContact O-CB 3.35Å; I763-F774 HydrophobicContact CB-CB 4.39Å; I763-F774 HydrophobicContact CG1-CB 4.31Å; I772-F774 HydrophobicContact CG2-CD1 4.35Å; F774-I776 HydrophobicContact CD2-CD1 4.41Å; F774-I776 HydrophobicContact CD2-CG1 4.15Å; F774-I776 HydrophobicContact CE2-CD1 3.82Å; F774-I776 HydrophobicContact CE2-CG1 4.07Å; F774-Y837 WeakPolarHBondContact CD1-O 3.22Å; F774-Y837 HydrophobicContact CE2-CG 4.34Å; F774-Y837 HydrophobicContact CZ-CG 4.22Å; F774-Y837 PolarHBondContact N-O 3.12Å; F774-Y837 PolarHBondContact O-N 3.09Å; F774-L846 HydrophobicContact CE1-CD1 3.65Å; F774-L846 HydrophobicContact CZ-CD1 3.64Å |
| 775 | T | 88.4 | Confident | 80.1 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 153.6 | -174.4 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | I760 S761 W762 I836 P894 | I760-T775 CarbonylContact C-O 3.5Å; I760-T775 WeakPolarHBondContact CA-O 3.47Å; S761-T775 PolarHBondContact N-O 2.83Å; S761-T775 WeakPolarHBondContact OG-CB 3.04Å; S761-T775 PolarHBondContact OG-O 3.33Å; S761-T775 PolarHBondContact OG-OG1 3.18Å; W762-T775 VanDerWaalsContact CB-OG1 3.32Å; W762-T775 WeakPolarHBondContact CB-OG1 3.28Å; W762-T775 PolarHBondContact N-OG1 3.49Å; W762-T775 VanDerWaalsContact N-OG1 3.08Å; W762-T775 PolarHBondContact O-N 3.13Å; W762-T775 VanDerWaalsContact O-N 3.11Å; T775-I836 HydrophobicContact CG2-CG1 4.09Å; T775-P894 HydrophobicContact CG2-CB 3.69Å; T775-P894 HydrophobicContact CG2-CG 3.47Å; T775-P894 VanDerWaalsContact CG2-CG 3.47Å |
| 776 | I | 87.1 | Confident | 79.2 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 152.3 | -167.6 | -57.6 | -173.9 | 0 | 0 | 0 | 110.9 | V718 L758 N759 F774 D833 Y837 | V718-I776 HydrophobicContact CB-CD1 4.1Å; V718-I776 HydrophobicContact CG1-CD1 3.72Å; V718-I776 HydrophobicContact CG2-CD1 3.34Å; L758-I776 HydrophobicContact CD2-CG2 4Å; N759-I776 CarbonylContact O-C 3.56Å; N759-I776 VanDerWaalsContact O-CA 3.26Å; N759-I776 WeakPolarHBondContact O-CA 3.32Å; N759-I776 WeakPolarHBondContact O-CG2 3.5Å; F774-I776 HydrophobicContact CD2-CD1 4.41Å; F774-I776 HydrophobicContact CD2-CG1 4.15Å; F774-I776 HydrophobicContact CE2-CD1 3.82Å; F774-I776 HydrophobicContact CE2-CG1 4.07Å; I776-D833 HydrophobicContact CB-CB 4.1Å; I776-D833 WeakPolarHBondContact O-CB 3.25Å; I776-D833 PolarHBondContact O-N 2.73Å; I776-Y837 HydrophobicContact CB-CD2 4.48Å; I776-Y837 HydrophobicContact CB-CE2 4.22Å; I776-Y837 HydrophobicContact CD1-CD2 3.47Å; I776-Y837 VanDerWaalsContact CD1-CD2 3.47Å; I776-Y837 HydrophobicContact CD1-CE2 3.38Å; I776-Y837 HydrophobicContact CD1-CG 4.12Å; I776-Y837 HydrophobicContact CG1-CD2 3.72Å; I776-Y837 HydrophobicContact CG1-CE2 3.83Å |
| 777 | E | 85.4 | Confident | 78.5 | Confident | 42 Ų | 42 | 30.4 Ų | 30.4 | 20% | 0.196 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 144.7 | 166.3 | -47 | 171.9 | 133.5 | 0 | 0 | 110.6 | L758 N759 W830 I831 | L758-E777 WeakPolarHBondContact CA-O 3.38Å; N759-E777 HydrophobicContact CB-CB 4.37Å; N759-E777 PolarHBondContact N-O 3.03Å; N759-E777 PolarHBondContact ND2-OE2 2.9Å; N759-E777 PolarHBondContact O-N 3.44Å; E777-W830 HydrophobicContact CB-CB 3.81Å; E777-W830 HydrophobicContact CB-CE3 4.14Å; E777-W830 HydrophobicContact CB-CG 4.48Å; E777-W830 HydrophobicContact CG-CB 4.45Å; E777-I831 CarbonylContact C-O 3.57Å; E777-I831 WeakPolarHBondContact CA-O 3.21Å |
| 778 | I | 83.6 | Confident | 78 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 143.6 | -177.7 | -50 | -169.2 | 0 | 0 | 0 | 109.9 | E757 L758 L780 L784 C785 L788 W789 W830 I831 | E757-I778 WeakPolarHBondContact O-CA 3.43Å; L758-I778 HydrophobicContact CD2-CB 4.47Å; L758-I778 HydrophobicContact CD2-CD1 4.26Å; L758-I778 HydrophobicContact CD2-CG1 3.8Å; L758-I778 HydrophobicContact CD2-CG2 4.49Å; I778-L780 PolarHBondContact O-N 3.12Å; I778-L784 HydrophobicContact CG2-CD2 4.23Å; I778-C785 HydrophobicContact CG2-CB 4.42Å; I778-L788 HydrophobicContact CD1-CD1 3.66Å; I778-W789 HydrophobicContact CD1-CH2 3.91Å; I778-W830 CarbonylContact O-C 3.56Å; I778-W830 WeakPolarHBondContact O-CA 3.37Å; I778-I831 PolarHBondContact N-O 3.12Å; I778-I831 PolarHBondContact O-N 2.7Å |
| 779 | L | 82.9 | Confident | 77.7 | Confident | 19 Ų | 19 | 28.2 Ų | 28.2 | 10% | 0.099 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 115.2 | 179.7 | -177.7 | 63 | 0 | 0 | 0 | 112.5 | E757 N781 G782 C785 K828 W830 | E757-L779 HydrophobicContact CB-CB 4Å; E757-L779 HydrophobicContact CG-CD2 4.16Å; E757-L779 PolarHBondContact O-N 3.25Å; L779-N781 PolarHBondContact O-N 3.3Å; L779-N781 VanDerWaalsContact O-N 3.08Å; L779-G782 PolarHBondContact O-N 3.35Å; L779-C785 VanDerWaalsContact O-CB 3.28Å; L779-C785 WeakPolarHBondContact O-CB 3.45Å; L779-K828 HydrophobicContact CD1-CB 3.66Å; L779-K828 HydrophobicContact CD1-CD 4.01Å; L779-K828 HydrophobicContact CD1-CG 3.68Å; L779-K828 HydrophobicContact CD2-CD 4.43Å; L779-W830 HydrophobicContact CB-CE3 4.43Å; L779-W830 HydrophobicContact CB-CZ3 4.23Å |
| 780 | L | 74.9 | Confident | 76.5 | Confident | 54 Ų | 54 | 32.4 Ų | 32.4 | 28% | 0.283 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -35.5 | -178.3 | 173.6 | 63 | 0 | 0 | 0 | 115.4 | I778 C785 K829 I831 P919 | I778-L780 PolarHBondContact O-N 3.12Å; L780-C785 PolarHBondContact O-SG 2.73Å; L780-K829 HydrophobicContact CB-CB 4.27Å; L780-K829 WeakPolarHBondContact CB-O 3.41Å; L780-K829 HydrophobicContact CD2-CB 4.21Å; L780-K829 HydrophobicContact CD2-CD 3.84Å; L780-K829 HydrophobicContact CD2-CG 4.27Å; L780-K829 PolarHBondContact N-O 3.42Å; L780-I831 HydrophobicContact CB-CD1 3.73Å; L780-I831 HydrophobicContact CB-CG1 3.88Å; L780-I831 HydrophobicContact CD1-CD1 3.56Å; L780-I831 HydrophobicContact CG-CD1 4.18Å; L780-P919 HydrophobicContact CD1-CG 4.46Å |
| 781 | N | 72.4 | Confident | 74.9 | Confident | 121 Ų | 121 | 35.3 Ų | 35.3 | 65% | 0.647 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98 | 9.8 | -176.7 | -62.9 | 19.5 | 0 | 0 | 0 | 112.4 | L779 | L779-N781 PolarHBondContact O-N 3.3Å; L779-N781 VanDerWaalsContact O-N 3.08Å |
| 782 | G | 71.1 | Confident | 72.6 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -83.7 | 159.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E757 L779 L784 C785 N786 | E757-G782 WeakPolarHBondContact OE1-CA 3.31Å; E757-G782 WeakPolarHBondContact OE2-CA 3.44Å; L779-G782 PolarHBondContact O-N 3.35Å; G782-L784 VanDerWaalsContact C-N 3.26Å; G782-L784 PolarHBondContact O-N 3.35Å; G782-C785 PolarHBondContact O-N 3.32Å; G782-N786 PolarHBondContact O-N 3.36Å; G782-N786 PolarHBondContact O-ND2 2.9Å; G782-N786 VanDerWaalsContact O-ND2 3.08Å |
| 783 | E | 69.2 | Low | 70 | Confident | 94 Ų | 94 | 45.3 Ų | 45.3 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.1 | -39.5 | 171.6 | -71.3 | -178.1 | 179.8 | 0 | 0 | 111.1 | L754 E757 C785 N786 L787 | L754-E783 HydrophobicContact CD2-CB 3.73Å; E757-E783 PolarHBondContact OE1-N 2.97Å; E757-E783 PolarHBondContact OE2-N 3.33Å; E783-C785 VanDerWaalsContact C-N 3.33Å; E783-C785 PolarHBondContact O-N 3.11Å; E783-N786 PolarHBondContact O-N 3.31Å; E783-L787 WeakPolarHBondContact O-CD1 3.35Å; E783-L787 VanDerWaalsContact O-CG 3.31Å; E783-L787 WeakPolarHBondContact O-CG 3.45Å; E783-L787 PolarHBondContact O-N 3.23Å |
| 784 | L | 72.3 | Confident | 67.1 | Low | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 178.2 | -161.5 | 73.1 | 0 | 0 | 0 | 112.3 | L719 L722 L754 E757 L758 I778 G782 L787 L788 | L719-L784 HydrophobicContact CD2-CD1 3.61Å; L719-L784 HydrophobicContact CD2-CD2 3.93Å; L719-L784 HydrophobicContact CD2-CG 4.45Å; L722-L784 HydrophobicContact CD1-CD2 4.27Å; L754-L784 HydrophobicContact CD2-CB 4.16Å; L754-L784 HydrophobicContact CD2-CD1 4.47Å; E757-L784 HydrophobicContact CB-CB 4.48Å; E757-L784 VanDerWaalsContact OE2-CB 3.31Å; E757-L784 WeakPolarHBondContact OE2-CB 3.37Å; E757-L784 PolarHBondContact OE2-N 3.16Å; L758-L784 HydrophobicContact CD1-CD2 4.28Å; L758-L784 HydrophobicContact CD2-CD2 3.53Å; L758-L784 HydrophobicContact CG-CD2 3.85Å; I778-L784 HydrophobicContact CG2-CD2 4.23Å; G782-L784 VanDerWaalsContact C-N 3.26Å; G782-L784 PolarHBondContact O-N 3.35Å; L784-L787 PolarHBondContact O-N 2.7Å; L784-L788 HydrophobicContact CG-CD1 4.12Å; L784-L788 WeakPolarHBondContact O-CB 3.19Å; L784-L788 VanDerWaalsContact O-CG 3.27Å; L784-L788 WeakPolarHBondContact O-CG 3.36Å; L784-L788 PolarHBondContact O-N 2.98Å |
| 785 | C | 72.2 | Confident | 64.1 | Low | 4 Ų | 4 | 58.8 Ų | 58.8 | 3% | 0.027 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66 | -38.9 | 177.5 | -175.4 | 0 | 0 | 0 | 0 | 111.8 | I778 L779 L780 G782 E783 W789 | I778-C785 HydrophobicContact CG2-CB 4.42Å; L779-C785 VanDerWaalsContact O-CB 3.28Å; L779-C785 WeakPolarHBondContact O-CB 3.45Å; L780-C785 PolarHBondContact O-SG 2.73Å; G782-C785 PolarHBondContact O-N 3.32Å; E783-C785 VanDerWaalsContact C-N 3.33Å; E783-C785 PolarHBondContact O-N 3.11Å; C785-W789 PolarHBondContact O-N 2.9Å |
| 786 | N | 67.3 | Low | 61.4 | Low | 88 Ų | 88 | 62.1 Ų | 62.1 | 47% | 0.471 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71 | -35.9 | 176.8 | -66.9 | -50.2 | 0 | 0 | 0 | 112.3 | G782 E783 F790 | G782-N786 PolarHBondContact O-N 3.36Å; G782-N786 PolarHBondContact O-ND2 2.9Å; G782-N786 VanDerWaalsContact O-ND2 3.08Å; E783-N786 PolarHBondContact O-N 3.31Å; N786-F790 VanDerWaalsContact O-CD2 3.23Å; N786-F790 WeakPolarHBondContact O-CD2 3.32Å; N786-F790 PolarHBondContact O-N 2.9Å |
| 787 | L | 68 | Low | 58.6 | Low | 46 Ų | 46 | 65.3 Ų | 65.3 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.5 | -39.7 | 176.7 | -73.5 | 162.8 | 0 | 0 | 0 | 112.8 | L747 E783 L784 | L747-L787 HydrophobicContact CD1-CD1 3.72Å; L747-L787 HydrophobicContact CD1-CD2 3.9Å; L747-L787 HydrophobicContact CD1-CG 4.49Å; L747-L787 HydrophobicContact CD2-CD1 3.55Å; L747-L787 HydrophobicContact CG-CD1 4.3Å; E783-L787 WeakPolarHBondContact O-CD1 3.35Å; E783-L787 VanDerWaalsContact O-CG 3.31Å; E783-L787 WeakPolarHBondContact O-CG 3.45Å; E783-L787 PolarHBondContact O-N 3.23Å; L784-L787 PolarHBondContact O-N 2.7Å |
| 788 | L | 67.3 | Low | 56.2 | Low | 40 Ų | 40 | 70 Ų | 70 | 21% | 0.209 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -73.6 | -38.9 | 177.4 | -67.9 | 168.5 | 0 | 0 | 0 | 111.9 | L722 I726 I778 L784 | L722-L788 HydrophobicContact CD2-CD2 4.07Å; I726-L788 HydrophobicContact CD1-CD2 4.13Å; I778-L788 HydrophobicContact CD1-CD1 3.66Å; L784-L788 HydrophobicContact CG-CD1 4.12Å; L784-L788 WeakPolarHBondContact O-CB 3.19Å; L784-L788 VanDerWaalsContact O-CG 3.27Å; L784-L788 WeakPolarHBondContact O-CG 3.36Å; L784-L788 PolarHBondContact O-N 2.98Å |
| 789 | W | 67.9 | Low | 53.6 | Low | 37 Ų | 37 | 77 Ų | 77 | 14% | 0.14 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -137.7 | 76.2 | -167.9 | -50 | -49.4 | 0 | 0 | 0 | 112.5 | I778 C785 H918 P919 I920 | I778-W789 HydrophobicContact CD1-CH2 3.91Å; C785-W789 PolarHBondContact O-N 2.9Å; W789-H918 AromaticContact CH2-CE1 3.75Å; W789-H918 AromaticContact CZ3-CE1 3.93Å; W789-P919 HydrophobicContact CB-CB 3.97Å; W789-P919 HydrophobicContact CD2-CB 4.45Å; W789-P919 HydrophobicContact CD2-CG 4.24Å; W789-P919 HydrophobicContact CE3-CB 4Å; W789-P919 HydrophobicContact CE3-CG 3.43Å; W789-P919 VanDerWaalsContact CE3-CG 3.43Å; W789-P919 HydrophobicContact CG-CB 4.47Å; W789-P919 HydrophobicContact CZ3-CG 3.89Å; W789-I920 HydrophobicContact CD2-CG1 3.8Å; W789-I920 HydrophobicContact CG-CG1 4.05Å; W789-I920 HydrophobicContact CH2-CD1 4.38Å; W789-I920 HydrophobicContact CH2-CG1 4.4Å; W789-I920 HydrophobicContact CZ2-CD1 3.67Å; W789-I920 HydrophobicContact CZ2-CG1 3.66Å; W789-I920 VanDerWaalsContact NE1-CG1 3.3Å |
| 790 | F | 52.5 | Low | 51.2 | Low | 93 Ų | 93 | 80.6 Ų | 80.6 | 41% | 0.408 | 45% | 0.448 | S | S | . | . | trans | -66 | 153.7 | -176.8 | -126.2 | -88.4 | 0 | 0 | 0 | 114.4 | Y735 N786 S923 | Y735-F790 HydrophobicContact CE2-CD1 4.15Å; Y735-F790 AromaticContact CE2-CE1 3.59Å; Y735-F790 HydrophobicContact CE2-CE1 3.59Å; Y735-F790 AromaticContact CE2-CZ 3.93Å; Y735-F790 HydrophobicContact CE2-CZ 3.93Å; Y735-F790 AromaticContact CZ-CE1 3.78Å; Y735-F790 WeakPolarHBondContact OH-CE1 3.23Å; N786-F790 VanDerWaalsContact O-CD2 3.23Å; N786-F790 WeakPolarHBondContact O-CD2 3.32Å; N786-F790 PolarHBondContact O-N 2.9Å; F790-S923 VanDerWaalsContact O-CB 3.29Å; F790-S923 WeakPolarHBondContact O-CB 3.36Å | ||
| 791 | N | 42 | Very low | 49.2 | Very low | 96 Ų | 96 | 86.8 Ų | 86.8 | 51% | 0.513 | 47% | 0.472 | S | S | . | . | trans | -121.1 | 128.4 | 167.9 | -66.6 | -78.8 | 0 | 0 | 0 | 110 | ||||
| 792 | S | 35 | Very low | 47.3 | Very low | 97 Ų | 97 | 87.2 Ų | 87.2 | 68% | 0.678 | 47% | 0.473 | S | S | * | . | trans | -94.9 | 161.9 | 172.4 | 57 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 793 | V | 32.6 | Very low | 45.2 | Very low | 117 Ų | 117 | 94.5 Ų | 94.5 | 71% | 0.709 | 51% | 0.507 | S | S | * | . | trans | -112.2 | 129.7 | -157.6 | 174.7 | 0 | 0 | 0 | 0 | 112.7 | S795 | V793-S795 VanDerWaalsContact CG1-OG 3.24Å; V793-S795 WeakPolarHBondContact CG1-OG 3.39Å | ||
| 794 | E | 27 | Very low | 43.3 | Very low | 175 Ų | 175 | 96.7 Ų | 96.7 | 82% | 0.818 | 53% | 0.527 | S | S | * | . | trans | -119.6 | 93.6 | 153.3 | -161.1 | -179.5 | -102.4 | 0 | 0 | 110.1 | ||||
| 795 | S | 27.4 | Very low | 41.2 | Very low | 107 Ų | 107 | 103.5 Ų | 103.5 | 75% | 0.748 | 56% | 0.564 | S | S | * | * | trans | -117.4 | 81.5 | -178.2 | 62.6 | 0 | 0 | 0 | 0 | 110.9 | V793 | V793-S795 VanDerWaalsContact CG1-OG 3.24Å; V793-S795 WeakPolarHBondContact CG1-OG 3.39Å | ||
| 796 | S | 30.6 | Very low | 39 | Very low | 72 Ų | 72 | 111.8 Ų | 111.8 | 50% | 0.503 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -143.8 | -38.9 | -174.3 | 61 | 0 | 0 | 0 | 0 | 115.3 | T800 | S796-T800 VanDerWaalsContact O-CG2 3.31Å; S796-T800 WeakPolarHBondContact O-CG2 3.42Å; S796-T800 PolarHBondContact O-OG1 2.82Å |
| 797 | S | 30.1 | Very low | 37 | Very low | 67 Ų | 67 | 115 Ų | 115 | 47% | 0.469 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -94.9 | -31.4 | -167.6 | 58.8 | 0 | 0 | 0 | 0 | 115.4 | T800 K801 | S797-T800 PolarHBondContact O-OG1 2.85Å; S797-K801 PolarHBondContact O-N 2.93Å |
| 798 | L | 34.4 | Very low | 35 | Very low | 140 Ų | 140 | 119.5 Ų | 119.5 | 73% | 0.733 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 10.1 | -176 | -90.5 | 169.4 | 0 | 0 | 0 | 115.9 | ||
| 799 | L | 28.9 | Very low | 33.1 | Very low | 149 Ų | 149 | 122.9 Ų | 122.9 | 78% | 0.78 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | -12.5 | 157.5 | -91.2 | 166.9 | 0 | 0 | 0 | 113.2 | ||
| 800 | T | 31.3 | Very low | 31.3 | Very low | 94 Ų | 94 | 129 Ų | 129 | 58% | 0.577 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -23.2 | 176 | 51 | 0 | 0 | 0 | 0 | 113.2 | S796 S797 I802 Q803 | S796-T800 VanDerWaalsContact O-CG2 3.31Å; S796-T800 WeakPolarHBondContact O-CG2 3.42Å; S796-T800 PolarHBondContact O-OG1 2.82Å; S797-T800 PolarHBondContact O-OG1 2.85Å; T800-I802 VanDerWaalsContact C-N 3.27Å; T800-Q803 PolarHBondContact O-N 3.36Å |
| 801 | K | 34.3 | Very low | 30.4 | Very low | 183 Ų | 183 | 131.2 Ų | 131.2 | 80% | 0.796 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 14.6 | 163.2 | -72.7 | -173.4 | 175.4 | 179.1 | 0 | 114.5 | S797 | S797-K801 PolarHBondContact O-N 2.93Š|
| 802 | I | 32.3 | Very low | 29.7 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 67% | 0.667 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 36.1 | 157.6 | -43.6 | -175 | 0 | 0 | 0 | 109.7 | T800 | T800-I802 VanDerWaalsContact C-N 3.27Š|
| 803 | Q | 27.4 | Very low | 29.5 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -128.2 | 138.1 | 148.2 | -72.7 | -166.4 | -12.1 | 0 | 0 | 109.2 | T800 | T800-Q803 PolarHBondContact O-N 3.36Š|
| 804 | T | 28.8 | Very low | 29.2 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 85% | 0.853 | 71% | 0.713 | S | S | * | * | trans | 49.2 | 89.9 | 173.3 | 59.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 805 | D | 27.4 | Very low | 29.3 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 78% | 0.775 | 71% | 0.709 | S | S | * | * | -130.4 | 174.4 | 107.3 | -144.5 | -22.3 | 0 | 0 | 0 | 110.2 | |||||
| 806 | K | 26.9 | Very low | 29.2 | Very low | 177 Ų | 177 | 136.1 Ų | 136.1 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | trans | -88.2 | 139.5 | -147.4 | -72.8 | 157.4 | -172.6 | 153.2 | 0 | 116.1 | ||||
| 807 | M | 24.9 | Very low | 29 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | trans | 64.7 | 126.9 | 138.3 | -64.4 | -79.4 | -174.8 | 0 | 0 | 118.7 | ||||
| 808 | N | 26 | Very low | 28.8 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | trans | 72.3 | 134.3 | 154.9 | -53.1 | -17 | 0 | 0 | 0 | 115.8 | ||||
| 809 | D | 27.4 | Very low | 28.5 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 59% | 0.594 | 73% | 0.727 | S | S | * | * | cis | -155.5 | 156.2 | 1.4 | -148.5 | -11.7 | 0 | 0 | 0 | 112.8 | ||||
| 810 | K | 30.1 | Very low | 28.5 | Very low | 165 Ų | 165 | 136.7 Ų | 136.7 | 72% | 0.717 | 72% | 0.721 | S | S | * | * | trans | 62.4 | 121.1 | 157.6 | -76.2 | 143.1 | -171.3 | 151.6 | 0 | 121 | ||||
| 811 | V | 34.2 | Very low | 28.3 | Very low | 140 Ų | 140 | 138 Ų | 138 | 85% | 0.848 | 73% | 0.725 | S | S | * | * | trans | 76 | 127 | 153.1 | -172.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 812 | M | 26.3 | Very low | 28 | Very low | 140 Ų | 140 | 138 Ų | 138 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | cis | -163.6 | 160.3 | -35.4 | -121.5 | -147.4 | 154.9 | 0 | 0 | 108.5 | ||||
| 813 | P | 30.4 | Very low | 27.9 | Very low | 97 Ų | 97 | 138 Ų | 138 | 63% | 0.63 | 73% | 0.726 | S | S | * | * | trans | -86.8 | -174.8 | 175.6 | 37.8 | -35.4 | 0 | 0 | 0 | 112.4 | ||||
| 814 | R | 27.4 | Very low | 28.1 | Very low | 203 Ų | 203 | 136.4 Ų | 136.4 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | trans | 84.1 | 142.5 | -169.3 | -50.5 | 146.2 | -179 | 167.2 | -2.3 | 110.8 | ||||
| 815 | T | 27.9 | Very low | 28.1 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 72% | 0.724 | 72% | 0.723 | S | S | * | * | cis | -147.7 | 131.4 | 11.4 | -12.7 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 816 | I | 26.2 | Very low | 28.5 | Very low | 138 Ų | 138 | 139 Ų | 139 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | 46.4 | 106.5 | 70.8 | -57.5 | 175.8 | 0 | 0 | 0 | 111.5 | |||||
| 817 | T | 26 | Very low | 29.2 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 53.3 | 115.2 | 165.2 | 59.1 | 0 | 0 | 0 | 0 | 118.9 | ||
| 818 | G | 25.7 | Very low | 30.6 | Very low | 58 Ų | 58 | 135.4 Ų | 135.4 | 60% | 0.598 | 71% | 0.712 | S | S | * | * | trans | 91 | 115 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 819 | I | 29.2 | Very low | 32.7 | Very low | 139 Ų | 139 | 134 Ų | 134 | 71% | 0.713 | 70% | 0.699 | S | S | * | * | cis | -114.5 | 125.9 | 20.1 | -62.1 | 162.2 | 0 | 0 | 0 | 107.9 | K822 | I819-K822 HydrophobicContact CG2-CB 4.21Š| ||
| 820 | V | 28.1 | Very low | 35.2 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 66% | 0.655 | 68% | 0.684 | S | S | * | * | cis | 50.8 | 95.6 | 13.6 | -169.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 821 | N | 27.6 | Very low | 37.6 | Very low | 123 Ų | 123 | 125 Ų | 125 | 66% | 0.658 | 65% | 0.654 | S | S | * | * | trans | 66.6 | 67.6 | 169.2 | -52.6 | -8.9 | 0 | 0 | 0 | 115.4 | ||||
| 822 | K | 28 | Very low | 40 | Very low | 182 Ų | 182 | 119.5 Ų | 119.5 | 79% | 0.791 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -129.3 | 69.3 | 131.9 | -103.8 | 174.4 | -175.6 | 178.3 | 0 | 109.7 | I819 | I819-K822 HydrophobicContact CG2-CB 4.21Š|
| 823 | D | 30.3 | Very low | 42.7 | Very low | 129 Ų | 129 | 113 Ų | 113 | 69% | 0.69 | 59% | 0.589 | S | S | * | * | trans | 52.9 | 78.1 | 153.5 | -47.3 | -23.4 | 0 | 0 | 0 | 114.3 | K825 | D823-K825 PolarHBondContact O-N 3.12Š| ||
| 824 | V | 31.3 | Very low | 45.2 | Very low | 123 Ų | 123 | 108.7 Ų | 108.7 | 75% | 0.745 | 56% | 0.561 | S | S | * | * | 50.5 | 18.9 | 70.4 | -156.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 825 | K | 29.7 | Very low | 48 | Very low | 176 Ų | 176 | 99.9 Ų | 99.9 | 77% | 0.765 | 53% | 0.529 | S | S | * | . | trans | -116.2 | 59.7 | 139.6 | -67.9 | -175.8 | -178 | 177.7 | 0 | 108.4 | D823 L827 | D823-K825 PolarHBondContact O-N 3.12Å; K825-L827 PolarHBondContact O-N 3.09Å | ||
| 826 | L | 35.4 | Very low | 50.8 | Low | 161 Ų | 161 | 94.3 Ų | 94.3 | 84% | 0.843 | 50% | 0.495 | S | S | * | . | trans | -57.8 | 97 | 146.7 | -104.2 | 168.3 | 0 | 0 | 0 | 104.4 | K828 | L826-K828 PolarHBondContact O-N 3.3Š| ||
| 827 | L | 41.9 | Very low | 53.6 | Low | 143 Ų | 143 | 87.9 Ų | 87.9 | 75% | 0.749 | 46% | 0.462 | S | S | * | . | trans | -52.4 | 131 | -160.8 | -74.5 | 157.6 | 0 | 0 | 0 | 109.3 | K825 K829 | K825-L827 PolarHBondContact O-N 3.09Å; L827-K829 PolarHBondContact O-N 3.12Å | ||
| 828 | K | 54 | Low | 56.6 | Low | 114 Ų | 114 | 81.8 Ų | 81.8 | 50% | 0.496 | 42% | 0.424 | S | S | . | . | trans | -56.4 | 92.9 | 167.7 | -86.7 | -158 | 167.9 | -164.9 | 0 | 106.7 | N756 L779 L826 W830 | N756-K828 PolarHBondContact O-NZ 3.25Å; L779-K828 HydrophobicContact CD1-CB 3.66Å; L779-K828 HydrophobicContact CD1-CD 4.01Å; L779-K828 HydrophobicContact CD1-CG 3.68Å; L779-K828 HydrophobicContact CD2-CD 4.43Å; L826-K828 PolarHBondContact O-N 3.3Å; K828-W830 VanDerWaalsContact C-N 3.29Å; K828-W830 HydrophobicContact CD-CZ2 4.02Å; K828-W830 PolarHBondContact O-N 2.77Å | ||
| 829 | K | 68.9 | Low | 59.5 | Low | 111 Ų | 111 | 79.4 Ų | 79.4 | 48% | 0.483 | 40% | 0.397 | S | S | . | . | trans | -82.8 | 86.8 | -175.6 | -173.1 | 172.4 | 173 | -170.5 | 0 | 107 | L780 L827 | L780-K829 HydrophobicContact CB-CB 4.27Å; L780-K829 WeakPolarHBondContact CB-O 3.41Å; L780-K829 HydrophobicContact CD2-CB 4.21Å; L780-K829 HydrophobicContact CD2-CD 3.84Å; L780-K829 HydrophobicContact CD2-CG 4.27Å; L780-K829 PolarHBondContact N-O 3.42Å; L827-K829 PolarHBondContact O-N 3.12Å | ||
| 830 | W | 80.7 | Confident | 62.1 | Low | 73 Ų | 73 | 73 Ų | 73 | 28% | 0.277 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 134.3 | 166.4 | -62.6 | 111 | 0 | 0 | 0 | 109.4 | E757 L758 N759 E777 I778 L779 K828 | E757-W830 VanDerWaalsContact C-CZ3 3.5Å; E757-W830 WeakPolarHBondContact O-CZ3 3.18Å; L758-W830 VanDerWaalsContact C-CZ3 3.5Å; N759-W830 HydrophobicContact CB-CD2 3.94Å; N759-W830 HydrophobicContact CB-CE3 3.68Å; N759-W830 HydrophobicContact CB-CH2 3.77Å; N759-W830 HydrophobicContact CB-CZ2 4.02Å; N759-W830 HydrophobicContact CB-CZ3 3.58Å; E777-W830 HydrophobicContact CB-CB 3.81Å; E777-W830 HydrophobicContact CB-CE3 4.14Å; E777-W830 HydrophobicContact CB-CG 4.48Å; E777-W830 HydrophobicContact CG-CB 4.45Å; I778-W830 CarbonylContact O-C 3.56Å; I778-W830 WeakPolarHBondContact O-CA 3.37Å; L779-W830 HydrophobicContact CB-CE3 4.43Å; L779-W830 HydrophobicContact CB-CZ3 4.23Å; K828-W830 VanDerWaalsContact C-N 3.29Å; K828-W830 HydrophobicContact CD-CZ2 4.02Å; K828-W830 PolarHBondContact O-N 2.77Å |
| 831 | I | 80.7 | Confident | 64.6 | Low | 16 Ų | 16 | 68.3 Ų | 68.3 | 8% | 0.082 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 129.8 | 175.1 | -36.3 | 178.4 | 0 | 0 | 0 | 107 | E777 I778 L780 D833 H918 P919 | E777-I831 CarbonylContact C-O 3.57Å; E777-I831 WeakPolarHBondContact CA-O 3.21Å; I778-I831 PolarHBondContact N-O 3.12Å; I778-I831 PolarHBondContact O-N 2.7Å; L780-I831 HydrophobicContact CB-CD1 3.73Å; L780-I831 HydrophobicContact CB-CG1 3.88Å; L780-I831 HydrophobicContact CD1-CD1 3.56Å; L780-I831 HydrophobicContact CG-CD1 4.18Å; I831-D833 PolarHBondContact O-N 3.33Å; I831-H918 WeakPolarHBondContact CG2-CD2 3.45Å; I831-H918 VanDerWaalsContact CG2-NE2 3.27Å; I831-H918 WeakPolarHBondContact CG2-NE2 2.99Å; I831-P919 HydrophobicContact CD1-CG 3.74Å |
| 832 | P | 83.5 | Confident | 67 | Low | 23 Ų | 23 | 67.5 Ų | 67.5 | 15% | 0.149 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 136.3 | 178.2 | 25.9 | -35.5 | 0 | 0 | 0 | 112 | W893 H918 | P832-W893 HydrophobicContact CB-CB 4.26Å; P832-W893 HydrophobicContact CB-CD2 3.36Å; P832-W893 HydrophobicContact CB-CE3 3.21Å; P832-W893 HydrophobicContact CB-CG 3.83Å; P832-W893 HydrophobicContact CB-CH2 4.18Å; P832-W893 HydrophobicContact CB-CZ2 4.32Å; P832-W893 HydrophobicContact CB-CZ3 3.65Å; P832-W893 HydrophobicContact CG-CD2 3.53Å; P832-W893 HydrophobicContact CG-CE3 3.9Å; P832-W893 HydrophobicContact CG-CG 3.81Å; P832-W893 HydrophobicContact CG-CH2 4.39Å; P832-W893 HydrophobicContact CG-CZ2 4.08Å; P832-W893 HydrophobicContact CG-CZ3 4.31Å; P832-H918 PolarHBondContact O-NE2 3.48Å |
| 833 | D | 83.4 | Confident | 69 | Low | 5 Ų | 5 | 62.4 Ų | 62.4 | 3% | 0.027 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 133.5 | 165.6 | -170 | -30.1 | 0 | 0 | 0 | 109.1 | I776 I831 N835 Y837 | I776-D833 HydrophobicContact CB-CB 4.1Å; I776-D833 WeakPolarHBondContact O-CB 3.25Å; I776-D833 PolarHBondContact O-N 2.73Å; I831-D833 PolarHBondContact O-N 3.33Å; D833-N835 PolarHBondContact O-N 2.91Å; D833-N835 VanDerWaalsContact OD1-CB 3.31Å; D833-N835 WeakPolarHBondContact OD1-CB 3.26Å; D833-N835 PolarHBondContact OD1-N 2.64Å; D833-N835 PolarHBondContact OD1-ND2 3.23Å; D833-Y837 PolarHBondContact OD2-OH 2.78Å; D833-Y837 VanDerWaalsContact OD2-OH 3.05Å |
| 834 | P | 83.4 | Confident | 71.3 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.032 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | -14.1 | 172.1 | 24.8 | -35.7 | 0 | 0 | 0 | 115.1 | F851 F852 P894 I914 I920 | P834-F851 WeakPolarHBondContact O-CB 3.39Å; P834-F851 PolarHBondContact O-N 3.26Å; P834-F852 HydrophobicContact CB-CB 3.46Å; P834-F852 VanDerWaalsContact CB-CB 3.46Å; P834-F852 HydrophobicContact CG-CB 3.78Å; P834-P894 WeakPolarHBondContact O-CD 3.29Å; P834-I914 HydrophobicContact CB-CD1 4.2Å; P834-I920 HydrophobicContact CG-CD1 4.04Å |
| 835 | N | 85 | Confident | 73.4 | Confident | 19 Ų | 19 | 58 Ų | 58 | 10% | 0.102 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 128.5 | -179.3 | -66.3 | -67.7 | 0 | 0 | 0 | 112.7 | D833 Y837 C848 F849 N850 | D833-N835 PolarHBondContact O-N 2.91Å; D833-N835 VanDerWaalsContact OD1-CB 3.31Å; D833-N835 WeakPolarHBondContact OD1-CB 3.26Å; D833-N835 PolarHBondContact OD1-N 2.64Å; D833-N835 PolarHBondContact OD1-ND2 3.23Å; N835-Y837 HydrophobicContact CB-CD2 4.02Å; N835-Y837 HydrophobicContact CB-CE1 4.44Å; N835-Y837 HydrophobicContact CB-CE2 3.45Å; N835-Y837 VanDerWaalsContact CB-CE2 3.45Å; N835-C848 HydrophobicContact CB-CB 4.21Å; N835-F849 WeakPolarHBondContact CA-O 3.28Å; N835-N850 WeakPolarHBondContact OD1-CA 3.36Å; N835-N850 WeakPolarHBondContact OD1-CB 3.38Å |
| 836 | I | 86.9 | Confident | 75.9 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 126.6 | 154.1 | -168.2 | 169.3 | 0 | 0 | 0 | 107.6 | A773 T775 C848 F849 F851 P894 H897 V909 | A773-I836 HydrophobicContact CB-CD1 4.27Å; T775-I836 HydrophobicContact CG2-CG1 4.09Å; I836-C848 CarbonylContact O-C 3.46Å; I836-C848 VanDerWaalsContact O-CA 3.28Å; I836-C848 WeakPolarHBondContact O-CA 3.39Å; I836-F849 HydrophobicContact CG2-CB 3.74Å; I836-F849 HydrophobicContact CG2-CD1 4.1Å; I836-F849 HydrophobicContact CG2-CG 4.35Å; I836-F849 PolarHBondContact N-O 3.39Å; I836-F849 PolarHBondContact O-N 3.27Å; I836-F851 HydrophobicContact CB-CE2 4.09Å; I836-F851 HydrophobicContact CG2-CD2 4.44Å; I836-F851 HydrophobicContact CG2-CE2 3.69Å; I836-P894 HydrophobicContact CB-CB 3.92Å; I836-P894 HydrophobicContact CB-CG 3.8Å; I836-P894 HydrophobicContact CD1-CB 4.38Å; I836-P894 HydrophobicContact CG1-CB 4.4Å; I836-H897 HydrophobicContact CD1-CB 4.12Å; I836-V909 HydrophobicContact CD1-CG2 4.18Å |
| 837 | Y | 86.9 | Confident | 77.9 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 134.7 | 180 | -72 | -88.1 | 0 | 0 | 0 | 109.8 | V718 A773 F774 I776 D833 N835 L846 K847 C848 | V718-Y837 HydrophobicContact CG1-CE1 4.49Å; V718-Y837 HydrophobicContact CG2-CD1 4.34Å; V718-Y837 HydrophobicContact CG2-CE1 4.22Å; A773-Y837 CarbonylContact C-O 3.59Å; A773-Y837 VanDerWaalsContact CA-O 3.29Å; A773-Y837 WeakPolarHBondContact CA-O 3.38Å; F774-Y837 WeakPolarHBondContact CD1-O 3.22Å; F774-Y837 HydrophobicContact CE2-CG 4.34Å; F774-Y837 HydrophobicContact CZ-CG 4.22Å; F774-Y837 PolarHBondContact N-O 3.12Å; F774-Y837 PolarHBondContact O-N 3.09Å; I776-Y837 HydrophobicContact CB-CD2 4.48Å; I776-Y837 HydrophobicContact CB-CE2 4.22Å; I776-Y837 HydrophobicContact CD1-CD2 3.47Å; I776-Y837 VanDerWaalsContact CD1-CD2 3.47Å; I776-Y837 HydrophobicContact CD1-CE2 3.38Å; I776-Y837 HydrophobicContact CD1-CG 4.12Å; I776-Y837 HydrophobicContact CG1-CD2 3.72Å; I776-Y837 HydrophobicContact CG1-CE2 3.83Å; D833-Y837 PolarHBondContact OD2-OH 2.78Å; D833-Y837 VanDerWaalsContact OD2-OH 3.05Å; N835-Y837 HydrophobicContact CB-CD2 4.02Å; N835-Y837 HydrophobicContact CB-CE1 4.44Å; N835-Y837 HydrophobicContact CB-CE2 3.45Å; N835-Y837 VanDerWaalsContact CB-CE2 3.45Å; Y837-L846 HydrophobicContact CD1-CD1 3.94Å; Y837-L846 HydrophobicContact CD1-CD2 3.93Å; Y837-L846 HydrophobicContact CD1-CG 3.96Å; Y837-L846 HydrophobicContact CE1-CD2 4.28Å; Y837-L846 HydrophobicContact CG-CD1 4.42Å; Y837-K847 CarbonylContact C-O 3.6Å; Y837-K847 WeakPolarHBondContact CA-O 3.45Å; Y837-C848 HydrophobicContact CD1-CB 3.85Å; Y837-C848 HydrophobicContact CE1-CB 3.85Å |
| 838 | I | 87.4 | Confident | 79.6 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 107.1 | 176.9 | -51.9 | -179.2 | 0 | 0 | 0 | 107.9 | I772 A773 K847 V973 T980 | I772-I838 CarbonylContact O-C 3.59Å; I772-I838 WeakPolarHBondContact O-CA 3.13Å; A773-I838 HydrophobicContact CB-CG1 4.23Å; I838-K847 PolarHBondContact N-O 2.89Å; I838-K847 PolarHBondContact O-N 2.82Å; I838-V973 HydrophobicContact CD1-CG1 4.06Å; I838-T980 HydrophobicContact CD1-CG2 3.7Å |
| 839 | Y | 86.4 | Confident | 80.8 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 119.8 | 176.2 | -179.7 | -123.8 | 0 | 0 | 0 | 109.3 | L714 L717 I772 L841 D844 K845 | L714-Y839 HydrophobicContact CD2-CD1 4.05Å; L714-Y839 HydrophobicContact CD2-CE1 4.4Å; L714-Y839 HydrophobicContact CD2-CG 4.25Å; L717-Y839 HydrophobicContact CD1-CD2 4.06Å; L717-Y839 HydrophobicContact CD1-CE2 3.6Å; I772-Y839 PolarHBondContact N-O 2.92Å; I772-Y839 PolarHBondContact O-N 2.91Å; Y839-L841 HydrophobicContact CD1-CD2 3.91Å; Y839-L841 HydrophobicContact CD1-CG 4.05Å; Y839-L841 HydrophobicContact CE1-CD2 3.58Å; Y839-L841 HydrophobicContact CE1-CG 4.08Å; Y839-D844 WeakPolarHBondContact CE2-OD1 3.5Å; Y839-D844 PolarHBondContact OH-OD1 2.95Å; Y839-K845 WeakPolarHBondContact CD2-O 3.49Å |
| 840 | H | 84.2 | Confident | 81.3 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.019 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 106.7 | 173.5 | -59.4 | -73.6 | 0 | 0 | 0 | 108.1 | S771 D842 E843 D844 K845 K847 | S771-H840 PolarHBondContact OG-CE1 3.08Å; S771-H840 PolarHBondContact OG-ND1 2.96Å; H840-D842 PolarHBondContact O-N 3.4Å; H840-E843 HydrophobicContact CB-CB 4.3Å; H840-E843 HydrophobicContact CB-CG 4.27Å; H840-E843 PolarHBondContact O-N 3Å; H840-E843 VanDerWaalsContact O-N 3.16Å; H840-D844 PolarHBondContact O-N 3.27Å; H840-D844 VanDerWaalsContact O-N 3.12Å; H840-K845 PolarHBondContact N-O 3.27Å; H840-K847 VanDerWaalsContact CD2-CE 3.42Å; H840-K847 WeakPolarHBondContact CD2-CE 3.38Å; H840-K847 PolarHBondContact CD2-NZ 2.8Å; H840-K847 WeakPolarHBondContact NE2-CD 3.46Å; H840-K847 WeakPolarHBondContact NE2-CE 3.25Å; H840-K847 PolarHBondContact NE2-NZ 2.7Å |
| 841 | L | 81.2 | Confident | 81.1 | Confident | 11 Ų | 11 | 29.3 Ų | 29.3 | 6% | 0.058 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -27.8 | -170.1 | -73.7 | 147.6 | 0 | 0 | 0 | 113.3 | V697 N709 G769 N770 I772 Y839 | V697-L841 HydrophobicContact CB-CD1 4.3Å; V697-L841 HydrophobicContact CG2-CD1 3.43Å; V697-L841 VanDerWaalsContact CG2-CD1 3.43Å; V697-L841 HydrophobicContact CG2-CD2 4.19Å; V697-L841 HydrophobicContact CG2-CG 4.48Å; N709-L841 HydrophobicContact CB-CB 4.17Å; N709-L841 HydrophobicContact CB-CD2 4.09Å; N709-L841 VanDerWaalsContact ND2-C 3.25Å; N709-L841 PolarHBondContact ND2-O 2.78Å; G769-L841 WeakPolarHBondContact O-CD1 3.38Å; N770-L841 PolarHBondContact O-N 3.04Å; I772-L841 HydrophobicContact CD1-CD1 3.74Å; I772-L841 HydrophobicContact CD1-CD2 4.5Å; I772-L841 HydrophobicContact CD1-CG 4.43Å; I772-L841 HydrophobicContact CG1-CD1 3.87Å; Y839-L841 HydrophobicContact CD1-CD2 3.91Å; Y839-L841 HydrophobicContact CD1-CG 4.05Å; Y839-L841 HydrophobicContact CE1-CD2 3.58Å; Y839-L841 HydrophobicContact CE1-CG 4.08Å |
| 842 | D | 77.6 | Confident | 80.7 | Confident | 105 Ų | 105 | 30 Ų | 30 | 56% | 0.561 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -20 | -176.9 | -57.1 | -29.1 | 0 | 0 | 0 | 112.4 | N709 N770 H840 | N709-D842 PolarHBondContact ND2-OD1 2.72Å; N770-D842 WeakPolarHBondContact CB-OD2 3.43Å; N770-D842 PolarHBondContact ND2-OD2 3.1Å; H840-D842 PolarHBondContact O-N 3.4Å |
| 843 | E | 70 | Confident | 79.6 | Confident | 75 Ų | 75 | 32.4 Ų | 32.4 | 35% | 0.35 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -12.6 | 177 | -57.7 | -154.6 | 113 | 0 | 0 | 113.5 | H840 K845 | H840-E843 HydrophobicContact CB-CB 4.3Å; H840-E843 HydrophobicContact CB-CG 4.27Å; H840-E843 PolarHBondContact O-N 3Å; H840-E843 VanDerWaalsContact O-N 3.16Å; E843-K845 HydrophobicContact CB-CB 4.05Å; E843-K845 HydrophobicContact CB-CD 4.19Å; E843-K845 HydrophobicContact CB-CG 3.87Å; E843-K845 PolarHBondContact O-N 2.79Å; E843-K845 VanDerWaalsContact O-N 3.14Å; E843-K845 IonicContact OE1-NZ 2.73Å; E843-K845 PolarHBondContact OE1-NZ 3.18Å; E843-K845 VanDerWaalsContact OE2-CD 3.29Å; E843-K845 WeakPolarHBondContact OE2-CD 3.41Å; E843-K845 VanDerWaalsContact OE2-CE 3.29Å; E843-K845 WeakPolarHBondContact OE2-CE 3.25Å; E843-K845 IonicContact OE2-NZ 3.73Å; E843-K845 PolarHBondContact OE2-NZ 3.09Å |
| 844 | D | 78.1 | Confident | 78 | Confident | 65 Ų | 65 | 35 Ų | 35 | 35% | 0.348 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 24.3 | -164.6 | -160.4 | 30.1 | 0 | 0 | 0 | 113.6 | K712 Y839 H840 | K712-D844 IonicContact NZ-OD2 3.61Å; K712-D844 PolarHBondContact NZ-OD2 2.96Å; Y839-D844 WeakPolarHBondContact CE2-OD1 3.5Å; Y839-D844 PolarHBondContact OH-OD1 2.95Å; H840-D844 PolarHBondContact O-N 3.27Å; H840-D844 VanDerWaalsContact O-N 3.12Å |
| 845 | K | 76 | Confident | 75.7 | Confident | 96 Ų | 96 | 37.1 Ų | 37.1 | 42% | 0.417 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 131.8 | 178.9 | -68.1 | -174.7 | -143.6 | 147.2 | 0 | 111.5 | Y839 H840 E843 | Y839-K845 WeakPolarHBondContact CD2-O 3.49Å; H840-K845 PolarHBondContact N-O 3.27Å; E843-K845 HydrophobicContact CB-CB 4.05Å; E843-K845 HydrophobicContact CB-CD 4.19Å; E843-K845 HydrophobicContact CB-CG 3.87Å; E843-K845 PolarHBondContact O-N 2.79Å; E843-K845 VanDerWaalsContact O-N 3.14Å; E843-K845 IonicContact OE1-NZ 2.73Å; E843-K845 PolarHBondContact OE1-NZ 3.18Å; E843-K845 VanDerWaalsContact OE2-CD 3.29Å; E843-K845 WeakPolarHBondContact OE2-CD 3.41Å; E843-K845 VanDerWaalsContact OE2-CE 3.29Å; E843-K845 WeakPolarHBondContact OE2-CE 3.25Å; E843-K845 IonicContact OE2-NZ 3.73Å; E843-K845 PolarHBondContact OE2-NZ 3.09Å |
| 846 | L | 81.4 | Confident | 73.3 | Confident | 24 Ų | 24 | 38.8 Ų | 38.8 | 13% | 0.126 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 112.2 | 169.4 | -177.4 | 67 | 0 | 0 | 0 | 109.4 | L717 V718 F774 Y837 | L717-L846 HydrophobicContact CB-CD2 3.92Å; V718-L846 HydrophobicContact CG2-CD2 3.77Å; F774-L846 HydrophobicContact CE1-CD1 3.65Å; F774-L846 HydrophobicContact CZ-CD1 3.64Å; Y837-L846 HydrophobicContact CD1-CD1 3.94Å; Y837-L846 HydrophobicContact CD1-CD2 3.93Å; Y837-L846 HydrophobicContact CD1-CG 3.96Å; Y837-L846 HydrophobicContact CE1-CD2 4.28Å; Y837-L846 HydrophobicContact CG-CD1 4.42Å |
| 847 | K | 78.7 | Confident | 70.7 | Confident | 24 Ų | 24 | 47 Ų | 47 | 10% | 0.104 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 160.1 | 170.2 | -61 | 175.3 | -166.6 | 156.1 | 0 | 109.8 | Y837 I838 H840 P975 R977 | Y837-K847 CarbonylContact C-O 3.6Å; Y837-K847 WeakPolarHBondContact CA-O 3.45Å; I838-K847 PolarHBondContact N-O 2.89Å; I838-K847 PolarHBondContact O-N 2.82Å; H840-K847 VanDerWaalsContact CD2-CE 3.42Å; H840-K847 WeakPolarHBondContact CD2-CE 3.38Å; H840-K847 PolarHBondContact CD2-NZ 2.8Å; H840-K847 WeakPolarHBondContact NE2-CD 3.46Å; H840-K847 WeakPolarHBondContact NE2-CE 3.25Å; H840-K847 PolarHBondContact NE2-NZ 2.7Å; K847-P975 PolarHBondContact NZ-O 3.34Å; K847-R977 WeakPolarHBondContact CE-O 3.06Å; K847-R977 PolarHBondContact NZ-O 2.79Å |
| 848 | C | 77.9 | Confident | 67.9 | Low | 60 Ų | 60 | 49.8 Ų | 49.8 | 41% | 0.405 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 143.2 | 173.6 | 53.1 | 0 | 0 | 0 | 0 | 110.9 | N835 I836 Y837 | N835-C848 HydrophobicContact CB-CB 4.21Å; I836-C848 CarbonylContact O-C 3.46Å; I836-C848 VanDerWaalsContact O-CA 3.28Å; I836-C848 WeakPolarHBondContact O-CA 3.39Å; Y837-C848 HydrophobicContact CD1-CB 3.85Å; Y837-C848 HydrophobicContact CE1-CB 3.85Å |
| 849 | F | 79 | Confident | 65.1 | Low | 30 Ų | 30 | 55.1 Ų | 55.1 | 13% | 0.132 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 115.3 | 175 | 174.6 | -81.6 | 0 | 0 | 0 | 108.2 | N835 I836 F851 I854 I889 T980 | N835-F849 WeakPolarHBondContact CA-O 3.28Å; I836-F849 HydrophobicContact CG2-CB 3.74Å; I836-F849 HydrophobicContact CG2-CD1 4.1Å; I836-F849 HydrophobicContact CG2-CG 4.35Å; I836-F849 PolarHBondContact N-O 3.39Å; I836-F849 PolarHBondContact O-N 3.27Å; F849-F851 AromaticContact CD1-CD2 3.87Å; F849-F851 HydrophobicContact CD1-CD2 3.87Å; F849-F851 HydrophobicContact CD1-CE1 4.4Å; F849-F851 AromaticContact CD1-CE2 3.54Å; F849-F851 HydrophobicContact CD1-CE2 3.54Å; F849-F851 HydrophobicContact CD1-CG 4.44Å; F849-F851 AromaticContact CD1-CZ 3.84Å; F849-F851 HydrophobicContact CD1-CZ 3.84Å; F849-F851 HydrophobicContact CE1-CD1 4.16Å; F849-F851 HydrophobicContact CE1-CD2 4.14Å; F849-F851 AromaticContact CE1-CE1 3.8Å; F849-F851 HydrophobicContact CE1-CE1 3.8Å; F849-F851 AromaticContact CE1-CE2 3.79Å; F849-F851 HydrophobicContact CE1-CE2 3.79Å; F849-F851 HydrophobicContact CE1-CG 4.32Å; F849-F851 AromaticContact CE1-CZ 3.6Å; F849-F851 HydrophobicContact CE1-CZ 3.6Å; F849-I854 HydrophobicContact CD1-CD1 3.62Å; F849-I854 HydrophobicContact CD2-CD1 3.74Å; F849-I854 HydrophobicContact CE1-CD1 3.43Å; F849-I854 VanDerWaalsContact CE1-CD1 3.43Å; F849-I854 HydrophobicContact CE2-CD1 3.58Å; F849-I854 HydrophobicContact CG-CD1 3.78Å; F849-I854 HydrophobicContact CZ-CD1 3.42Å; F849-I854 VanDerWaalsContact CZ-CD1 3.42Å; F849-I889 HydrophobicContact CE1-CG2 4.09Å; F849-I889 HydrophobicContact CZ-CG2 4.19Å; F849-T980 VanDerWaalsContact CD2-OG1 3.31Å; F849-T980 WeakPolarHBondContact CD2-OG1 3.19Å |
| 850 | N | 77.7 | Confident | 62.3 | Low | 36 Ų | 36 | 62.2 Ų | 62.2 | 19% | 0.193 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 94.5 | -161.3 | -173.7 | -23.4 | 0 | 0 | 0 | 112.5 | N835 F852 E853 I854 | N835-N850 WeakPolarHBondContact OD1-CA 3.36Å; N835-N850 WeakPolarHBondContact OD1-CB 3.38Å; N850-F852 PolarHBondContact O-N 2.92Å; N850-F852 WeakPolarHBondContact OD1-CB 3.38Å; N850-F852 PolarHBondContact OD1-N 3.47Å; N850-E853 WeakPolarHBondContact ND2-CB 3.28Å; N850-E853 PolarHBondContact O-N 3.36Å; N850-E853 VanDerWaalsContact O-N 3.16Å; N850-E853 PolarHBondContact OD1-N 3.31Å; N850-I854 HydrophobicContact CB-CG1 4.45Å; N850-I854 WeakPolarHBondContact O-CD1 3.3Å; N850-I854 WeakPolarHBondContact O-CG1 3.39Å; N850-I854 PolarHBondContact O-N 3.01Å; N850-I854 VanDerWaalsContact O-N 3.15Å |
| 851 | F | 78.1 | Confident | 59.5 | Low | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -6.3 | -178.7 | -72.4 | -95.2 | 0 | 0 | 0 | 114.5 | P834 I836 F849 I889 Q890 K891 R892 P894 V909 A911 V969 | P834-F851 WeakPolarHBondContact O-CB 3.39Å; P834-F851 PolarHBondContact O-N 3.26Å; I836-F851 HydrophobicContact CB-CE2 4.09Å; I836-F851 HydrophobicContact CG2-CD2 4.44Å; I836-F851 HydrophobicContact CG2-CE2 3.69Å; F849-F851 AromaticContact CD1-CD2 3.87Å; F849-F851 HydrophobicContact CD1-CD2 3.87Å; F849-F851 HydrophobicContact CD1-CE1 4.4Å; F849-F851 AromaticContact CD1-CE2 3.54Å; F849-F851 HydrophobicContact CD1-CE2 3.54Å; F849-F851 HydrophobicContact CD1-CG 4.44Å; F849-F851 AromaticContact CD1-CZ 3.84Å; F849-F851 HydrophobicContact CD1-CZ 3.84Å; F849-F851 HydrophobicContact CE1-CD1 4.16Å; F849-F851 HydrophobicContact CE1-CD2 4.14Å; F849-F851 AromaticContact CE1-CE1 3.8Å; F849-F851 HydrophobicContact CE1-CE1 3.8Å; F849-F851 AromaticContact CE1-CE2 3.79Å; F849-F851 HydrophobicContact CE1-CE2 3.79Å; F849-F851 HydrophobicContact CE1-CG 4.32Å; F849-F851 AromaticContact CE1-CZ 3.6Å; F849-F851 HydrophobicContact CE1-CZ 3.6Å; F851-I889 HydrophobicContact CD1-CG2 3.68Å; F851-I889 HydrophobicContact CE1-CG2 3.96Å; F851-I889 VanDerWaalsContact O-O 3.09Å; F851-Q890 CarbonylContact O-C 3.47Å; F851-Q890 VanDerWaalsContact O-C 3.3Å; F851-Q890 WeakPolarHBondContact O-CA 3.31Å; F851-K891 PolarHBondContact O-N 3.43Å; F851-R892 CarbonylContact C-O 3.51Å; F851-R892 VanDerWaalsContact CB-C 3.47Å; F851-R892 HydrophobicContact CB-CB 4.22Å; F851-R892 WeakPolarHBondContact CB-O 3.29Å; F851-R892 PolarHBondContact O-N 2.8Å; F851-P894 HydrophobicContact CD2-CB 4.14Å; F851-P894 HydrophobicContact CD2-CG 4.18Å; F851-P894 HydrophobicContact CE2-CB 3.84Å; F851-P894 HydrophobicContact CE2-CG 4.28Å; F851-V909 HydrophobicContact CE1-CG1 4.49Å; F851-V909 HydrophobicContact CE2-CG1 4.28Å; F851-V909 HydrophobicContact CZ-CB 4.2Å; F851-V909 HydrophobicContact CZ-CG1 3.74Å; F851-V909 HydrophobicContact CZ-CG2 4.45Å; F851-A911 HydrophobicContact CD1-CB 3.8Å; F851-A911 HydrophobicContact CE1-CB 3.61Å; F851-A911 HydrophobicContact CZ-CB 4.43Å; F851-V969 HydrophobicContact CE1-CG2 4.34Å |
| 852 | F | 70.7 | Confident | 56.9 | Low | 31 Ų | 31 | 73.3 Ų | 73.3 | 14% | 0.136 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -44.5 | 169.3 | -175.7 | -99.6 | 0 | 0 | 0 | 112.7 | P834 N850 K891 I914 I920 L921 | P834-F852 HydrophobicContact CB-CB 3.46Å; P834-F852 VanDerWaalsContact CB-CB 3.46Å; P834-F852 HydrophobicContact CG-CB 3.78Å; N850-F852 PolarHBondContact O-N 2.92Å; N850-F852 WeakPolarHBondContact OD1-CB 3.38Å; N850-F852 PolarHBondContact OD1-N 3.47Å; F852-K891 HydrophobicContact CD2-CG 4.44Å; F852-K891 HydrophobicContact CE2-CG 4.25Å; F852-I914 HydrophobicContact CB-CD1 4.12Å; F852-I914 HydrophobicContact CD2-CD1 3.74Å; F852-I914 HydrophobicContact CG-CD1 4.36Å; F852-I920 HydrophobicContact CD1-CG2 3.84Å; F852-I920 HydrophobicContact CD2-CG2 3.99Å; F852-I920 HydrophobicContact CE1-CG2 3.34Å; F852-I920 HydrophobicContact CE2-CG2 3.52Å; F852-I920 HydrophobicContact CG-CG2 4.15Å; F852-I920 HydrophobicContact CZ-CG2 3.18Å; F852-L921 HydrophobicContact CE2-CD2 3.9Å; F852-L921 HydrophobicContact CZ-CD2 4.27Å |
| 853 | E | 60.7 | Low | 54.4 | Low | 74 Ų | 74 | 73 Ų | 73 | 35% | 0.346 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 14.8 | -160.2 | -141.8 | 164.9 | -121.2 | 0 | 0 | 115.1 | N850 L855 S856 K924 | N850-E853 WeakPolarHBondContact ND2-CB 3.28Å; N850-E853 PolarHBondContact O-N 3.36Å; N850-E853 VanDerWaalsContact O-N 3.16Å; N850-E853 PolarHBondContact OD1-N 3.31Å; E853-L855 PolarHBondContact O-N 3.39Å; E853-S856 PolarHBondContact O-N 2.89Å; E853-S856 PolarHBondContact O-OG 3.04Å; E853-K924 IonicContact OE1-NZ 2.72Å; E853-K924 PolarHBondContact OE1-NZ 3.05Å |
| 854 | I | 51 | Low | 52.4 | Low | 58 Ų | 58 | 77.3 Ų | 77.3 | 30% | 0.297 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 83.8 | 170 | -74.7 | 158.5 | 0 | 0 | 0 | 111 | F849 N850 Q890 | F849-I854 HydrophobicContact CD1-CD1 3.62Å; F849-I854 HydrophobicContact CD2-CD1 3.74Å; F849-I854 HydrophobicContact CE1-CD1 3.43Å; F849-I854 VanDerWaalsContact CE1-CD1 3.43Å; F849-I854 HydrophobicContact CE2-CD1 3.58Å; F849-I854 HydrophobicContact CG-CD1 3.78Å; F849-I854 HydrophobicContact CZ-CD1 3.42Å; F849-I854 VanDerWaalsContact CZ-CD1 3.42Å; N850-I854 HydrophobicContact CB-CG1 4.45Å; N850-I854 WeakPolarHBondContact O-CD1 3.3Å; N850-I854 WeakPolarHBondContact O-CG1 3.39Å; N850-I854 PolarHBondContact O-N 3.01Å; N850-I854 VanDerWaalsContact O-N 3.15Å; I854-Q890 PolarHBondContact O-NE2 2.73Å |
| 855 | L | 35.5 | Very low | 50.1 | Low | 50 Ų | 50 | 79.8 Ų | 79.8 | 26% | 0.262 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | -167.9 | 13.1 | 128 | -97.4 | 166.5 | 0 | 0 | 0 | 111 | E853 N857 S858 I859 I862 | E853-L855 PolarHBondContact O-N 3.39Å; L855-N857 PolarHBondContact O-N 3.33Å; L855-S858 WeakPolarHBondContact CD2-OG 3.39Å; L855-S858 CarbonylContact O-C 3.59Å; L855-S858 PolarHBondContact O-N 3.2Å; L855-I859 PolarHBondContact O-N 3.06Å; L855-I862 HydrophobicContact CB-CD1 4.47Å; L855-I862 HydrophobicContact CD1-CD1 4.49Å | |
| 856 | S | 33.5 | Very low | 47.7 | Very low | 55 Ų | 55 | 82.4 Ų | 82.4 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -65.9 | -25.6 | -165.1 | 52.3 | 0 | 0 | 0 | 0 | 116.9 | E853 I859 | E853-S856 PolarHBondContact O-N 2.89Å; E853-S856 PolarHBondContact O-OG 3.04Å; S856-I859 WeakPolarHBondContact O-CD1 3.43Å; S856-I859 WeakPolarHBondContact O-CG1 3.33Å |
| 857 | N | 32.8 | Very low | 45 | Very low | 172 Ų | 172 | 86.9 Ų | 86.9 | 92% | 0.92 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -95.8 | 16.5 | 173 | -80.7 | -5.6 | 0 | 0 | 0 | 113.7 | L855 | L855-N857 PolarHBondContact O-N 3.33Š|
| 858 | S | 27.7 | Very low | 42.6 | Very low | 63 Ų | 63 | 92.8 Ų | 92.8 | 44% | 0.441 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -139.5 | 43.4 | 161.7 | 73 | 0 | 0 | 0 | 0 | 110.8 | L855 N860 | L855-S858 WeakPolarHBondContact CD2-OG 3.39Å; L855-S858 CarbonylContact O-C 3.59Å; L855-S858 PolarHBondContact O-N 3.2Å; S858-N860 PolarHBondContact O-N 3.12Å |
| 859 | I | 29 | Very low | 40.2 | Very low | 117 Ų | 117 | 95.1 Ų | 95.1 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | 83.8 | 170.6 | -61 | 169.7 | 0 | 0 | 0 | 108 | L855 S856 | L855-I859 PolarHBondContact O-N 3.06Å; S856-I859 WeakPolarHBondContact O-CD1 3.43Å; S856-I859 WeakPolarHBondContact O-CG1 3.33Å |
| 860 | N | 27 | Very low | 37.7 | Very low | 157 Ų | 157 | 102.1 Ų | 102.1 | 84% | 0.84 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.5 | -19.1 | 160.1 | -94.5 | -18.4 | 0 | 0 | 0 | 110.9 | S858 | S858-N860 PolarHBondContact O-N 3.12Š|
| 861 | D | 26.1 | Very low | 35.4 | Very low | 135 Ų | 135 | 105.9 Ų | 105.9 | 72% | 0.722 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -105.6 | 51 | 171.7 | -74.5 | -53.8 | 0 | 0 | 0 | 112.9 | ||
| 862 | I | 26.5 | Very low | 33.1 | Very low | 112 Ų | 112 | 111.9 Ų | 111.9 | 57% | 0.574 | 61% | 0.613 | S | S | * | * | trans | -134 | 98.1 | 154.8 | -53 | 175.9 | 0 | 0 | 0 | 108.8 | L855 | L855-I862 HydrophobicContact CB-CD1 4.47Å; L855-I862 HydrophobicContact CD1-CD1 4.49Å | ||
| 863 | P | 25.6 | Very low | 31.1 | Very low | 99 Ų | 99 | 116.8 Ų | 116.8 | 64% | 0.643 | 64% | 0.64 | S | S | * | * | trans | -90.4 | 125.1 | 153.4 | -10.8 | 29.4 | 0 | 0 | 0 | 110.1 | ||||
| 864 | E | 28 | Very low | 29.8 | Very low | 165 Ų | 165 | 122.4 Ų | 122.4 | 77% | 0.771 | 67% | 0.666 | S | S | * | * | trans | 47.5 | 109.3 | 134.4 | -68.7 | 158.2 | -169 | 0 | 0 | 118.1 | ||||
| 865 | T | 29.1 | Very low | 29.1 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 72% | 0.724 | 68% | 0.677 | S | S | * | * | 32.3 | 74.3 | 67.5 | 68.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 866 | I | 25.3 | Very low | 28.8 | Very low | 151 Ų | 151 | 126.2 Ų | 126.2 | 77% | 0.774 | 70% | 0.697 | S | S | * | * | 69.7 | 98.2 | 97 | -63.7 | 159.4 | 0 | 0 | 0 | 112.6 | |||||
| 867 | N | 25.9 | Very low | 28.5 | Very low | 118 Ų | 118 | 130 Ų | 130 | 63% | 0.631 | 71% | 0.713 | S | S | * | * | trans | -168.5 | 130.1 | 148.8 | -75.6 | -43.9 | 0 | 0 | 0 | 103.3 | N932 | N867-N932 PolarHBondContact OD1-ND2 3.27Å; N867-N932 VanDerWaalsContact OD1-ND2 3.15Å | ||
| 868 | N | 28.1 | Very low | 28.2 | Very low | 148 Ų | 148 | 128.1 Ų | 128.1 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | cis | -137.5 | 173 | 11 | -91.4 | -15.5 | 0 | 0 | 0 | 111.4 | ||||
| 869 | P | 27.4 | Very low | 28.2 | Very low | 108 Ų | 108 | 131 Ų | 131 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | trans | -94.2 | -170.6 | -173.1 | 37.7 | -35.9 | 0 | 0 | 0 | 114.9 | ||||
| 870 | E | 26.9 | Very low | 28.1 | Very low | 177 Ų | 177 | 130.9 Ų | 130.9 | 83% | 0.827 | 71% | 0.713 | S | S | * | * | trans | 94.4 | 132.5 | 168.4 | -57.3 | -176.2 | -173.3 | 0 | 0 | 118.4 | ||||
| 871 | S | 29.2 | Very low | 28.2 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 81% | 0.811 | 70% | 0.699 | S | S | * | * | trans | 61.3 | 140.1 | -176.8 | 72.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 872 | D | 28.2 | Very low | 28.3 | Very low | 126 Ų | 126 | 132 Ų | 132 | 67% | 0.674 | 70% | 0.702 | S | S | * | * | cis | -141.7 | 156.9 | -10.5 | -133.9 | -31.7 | 0 | 0 | 0 | 114.3 | H874 S875 | D872-H874 PolarHBondContact O-N 3.23Å; D872-S875 PolarHBondContact O-OG 2.81Å | ||
| 873 | N | 30.5 | Very low | 28.3 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 71% | 0.711 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | 101.1 | -172.2 | -67.3 | -84.4 | 0 | 0 | 0 | 114.9 | ||
| 874 | H | 31.5 | Very low | 28.6 | Very low | 192 Ų | 192 | 129 Ų | 129 | 89% | 0.889 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.7 | -15.8 | 138.4 | -93.1 | -54.1 | 0 | 0 | 0 | 110.9 | D872 | D872-H874 PolarHBondContact O-N 3.23Š|
| 875 | S | 37.5 | Very low | 29.1 | Very low | 76 Ų | 76 | 124.8 Ų | 124.8 | 53% | 0.531 | 67% | 0.67 | S | S | . | * | -2.2 | 148.8 | 129 | 59.9 | 0 | 0 | 0 | 0 | 117.9 | D872 | D872-S875 PolarHBondContact O-OG 2.81Š| |||
| 876 | V | 28.5 | Very low | 29.8 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 69% | 0.685 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 115.3 | -41.8 | 166.6 | 177.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 877 | N | 28.2 | Very low | 31.1 | Very low | 133 Ų | 133 | 122 Ų | 122 | 71% | 0.711 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -99.1 | -21.5 | -169.1 | -84.9 | -50.5 | 0 | 0 | 0 | 117.9 | ||
| 878 | L | 26.9 | Very low | 32.7 | Very low | 133 Ų | 133 | 116.7 Ų | 116.7 | 70% | 0.696 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -97.4 | -27.7 | -177.7 | -91.8 | 156.3 | 0 | 0 | 0 | 114.7 | L880 I881 | L878-L880 VanDerWaalsContact C-N 3.27Å; L878-L880 PolarHBondContact O-N 2.75Å; L878-I881 HydrophobicContact CD2-CD1 4.23Å; L878-I881 WeakPolarHBondContact O-CB 3.25Å; L878-I881 PolarHBondContact O-N 3.3Å |
| 879 | N | 27.2 | Very low | 34.5 | Very low | 125 Ų | 125 | 110 Ų | 110 | 67% | 0.668 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.9 | -22.8 | -174.3 | -69.4 | -1.6 | 0 | 0 | 0 | 113.7 | I881 L883 | N879-I881 VanDerWaalsContact C-N 3.26Å; N879-I881 PolarHBondContact O-N 3.12Å; N879-L883 WeakPolarHBondContact O-CB 3.42Å; N879-L883 PolarHBondContact O-N 3.35Å |
| 880 | L | 27.2 | Very low | 36.4 | Very low | 113 Ų | 113 | 107.3 Ų | 107.3 | 59% | 0.592 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.1 | -35.6 | 166.3 | -81.3 | 158.9 | 0 | 0 | 0 | 111.9 | L878 N884 | L878-L880 VanDerWaalsContact C-N 3.27Å; L878-L880 PolarHBondContact O-N 2.75Å; L880-N884 WeakPolarHBondContact O-CB 3.3Å; L880-N884 PolarHBondContact O-N 2.86Å; L880-N884 PolarHBondContact O-ND2 2.99Å; L880-N884 PolarHBondContact O-OD1 3.4Å |
| 881 | I | 28.5 | Very low | 38.5 | Very low | 109 Ų | 109 | 105.5 Ų | 105.5 | 56% | 0.559 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -78.5 | -37.6 | -166.7 | -54.4 | -178.9 | 0 | 0 | 0 | 112.1 | L878 N879 | L878-I881 HydrophobicContact CD2-CD1 4.23Å; L878-I881 WeakPolarHBondContact O-CB 3.25Å; L878-I881 PolarHBondContact O-N 3.3Å; N879-I881 VanDerWaalsContact C-N 3.26Å; N879-I881 PolarHBondContact O-N 3.12Å |
| 882 | R | 27.4 | Very low | 40.9 | Very low | 207 Ų | 207 | 101 Ų | 101 | 78% | 0.781 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -80.2 | -23.6 | 172.7 | -81.3 | -177.6 | 170.9 | 170.2 | -3.4 | 113.5 | E429 N884 | E429-R882 IonicContact OE1-NH2 3.69Å; E429-R882 IonicContact OE2-CZ 3.79Å; E429-R882 IonicContact OE2-NH1 3.53Å; E429-R882 IonicContact OE2-NH2 3.45Å; E429-R882 PolarHBondContact OE2-NH2 3.15Å; R882-N884 VanDerWaalsContact C-N 3.26Å; R882-N884 PolarHBondContact O-N 3.49Å |
| 883 | L | 27.2 | Very low | 43.6 | Very low | 115 Ų | 115 | 97.2 Ų | 97.2 | 60% | 0.602 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -8.1 | 169.7 | -89.7 | 168.4 | 0 | 0 | 0 | 114.4 | N879 N887 | N879-L883 WeakPolarHBondContact O-CB 3.42Å; N879-L883 PolarHBondContact O-N 3.35Å; L883-N887 PolarHBondContact O-ND2 2.94Å |
| 884 | N | 32.1 | Very low | 46.3 | Very low | 32 Ų | 32 | 90.9 Ų | 90.9 | 17% | 0.171 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -77.7 | -37.7 | -155.5 | -114.9 | -18.3 | 0 | 0 | 0 | 114.7 | L880 R882 K886 N887 L888 | L880-N884 WeakPolarHBondContact O-CB 3.3Å; L880-N884 PolarHBondContact O-N 2.86Å; L880-N884 PolarHBondContact O-ND2 2.99Å; L880-N884 PolarHBondContact O-OD1 3.4Å; R882-N884 VanDerWaalsContact C-N 3.26Å; R882-N884 PolarHBondContact O-N 3.49Å; N884-K886 CarbonylContact O-C 3.57Å; N884-K886 PolarHBondContact O-N 3.31Å; N884-N887 CarbonylContact O-C 3.58Å; N884-N887 PolarHBondContact O-N 3.38Å; N884-L888 HydrophobicContact CB-CD1 3.9Å; N884-L888 HydrophobicContact CB-CD2 4.39Å; N884-L888 HydrophobicContact CB-CG 3.79Å; N884-L888 WeakPolarHBondContact O-CB 3.28Å; N884-L888 WeakPolarHBondContact O-CG 3.5Å; N884-L888 PolarHBondContact O-N 3.19Å |
| 885 | S | 37.8 | Very low | 48.8 | Very low | 77 Ų | 77 | 84.6 Ų | 84.6 | 54% | 0.538 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -53.3 | -33.1 | -169.3 | 61.3 | 0 | 0 | 0 | 0 | 115.2 | ||
| 886 | K | 43.9 | Very low | 51.1 | Low | 132 Ų | 132 | 82.8 Ų | 82.8 | 57% | 0.574 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -84.5 | -45.2 | 170.9 | -64.9 | -178.3 | 177.7 | -180 | 0 | 112.8 | N884 L888 I889 Q890 | N884-K886 CarbonylContact O-C 3.57Å; N884-K886 PolarHBondContact O-N 3.31Å; K886-L888 PolarHBondContact O-N 2.89Å; K886-I889 PolarHBondContact O-N 3Å; K886-Q890 PolarHBondContact O-N 2.63Å |
| 887 | N | 52.4 | Low | 54 | Low | 78 Ų | 78 | 77.4 Ų | 77.4 | 42% | 0.417 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.2 | -16.7 | 178.4 | -80.9 | -38.2 | 0 | 0 | 0 | 114.9 | L883 N884 I889 R892 | L883-N887 PolarHBondContact O-ND2 2.94Å; N884-N887 CarbonylContact O-C 3.58Å; N884-N887 PolarHBondContact O-N 3.38Å; N887-I889 VanDerWaalsContact C-N 3.29Å; N887-R892 PolarHBondContact O-NH1 3.19Å |
| 888 | L | 59.7 | Low | 56.7 | Low | 7 Ų | 7 | 74 Ų | 74 | 4% | 0.037 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -21.6 | 173.7 | -78.3 | 176 | 0 | 0 | 0 | 112.4 | N884 K886 R892 S967 S985 L987 | N884-L888 HydrophobicContact CB-CD1 3.9Å; N884-L888 HydrophobicContact CB-CD2 4.39Å; N884-L888 HydrophobicContact CB-CG 3.79Å; N884-L888 WeakPolarHBondContact O-CB 3.28Å; N884-L888 WeakPolarHBondContact O-CG 3.5Å; N884-L888 PolarHBondContact O-N 3.19Å; K886-L888 PolarHBondContact O-N 2.89Å; L888-R892 VanDerWaalsContact C-NH1 3.33Å; L888-R892 WeakPolarHBondContact O-CD 3.4Å; L888-R892 PolarHBondContact O-NE 3.42Å; L888-R892 PolarHBondContact O-NH1 3.25Å; L888-R892 VanDerWaalsContact O-NH1 3.15Å; L888-S967 WeakPolarHBondContact O-CB 3.2Å; L888-S967 PolarHBondContact O-OG 2.91Å; L888-S985 WeakPolarHBondContact CD1-O 3.34Å; L888-L987 HydrophobicContact CD2-CD1 4.48Å; L888-L987 HydrophobicContact CD2-CD2 3.26Å; L888-L987 HydrophobicContact CD2-CG 3.48Å; L888-L987 VanDerWaalsContact CD2-CG 3.48Å |
| 889 | I | 67.1 | Low | 59.4 | Low | 9 Ų | 9 | 68.7 Ų | 68.7 | 5% | 0.046 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -40 | -173.6 | -56.4 | -176.3 | 0 | 0 | 0 | 110.9 | F849 F851 K886 N887 V969 I982 | F849-I889 HydrophobicContact CE1-CG2 4.09Å; F849-I889 HydrophobicContact CZ-CG2 4.19Å; F851-I889 HydrophobicContact CD1-CG2 3.68Å; F851-I889 HydrophobicContact CE1-CG2 3.96Å; F851-I889 VanDerWaalsContact O-O 3.09Å; K886-I889 PolarHBondContact O-N 3Å; N887-I889 VanDerWaalsContact C-N 3.29Å; I889-V969 HydrophobicContact CD1-CG1 4Å; I889-V969 HydrophobicContact CD1-CG2 4.37Å; I889-V969 HydrophobicContact CG1-CG2 3.99Å; I889-I982 HydrophobicContact CD1-CD1 3.44Å; I889-I982 VanDerWaalsContact CD1-CD1 3.44Å; I889-I982 HydrophobicContact CD1-CG1 4.24Å |
| 890 | Q | 66.2 | Low | 61.9 | Low | 50 Ų | 50 | 62.8 Ų | 62.8 | 23% | 0.234 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 156.9 | -179.1 | -69.7 | -175 | -11.6 | 0 | 0 | 114.1 | F851 I854 K886 R892 | F851-Q890 CarbonylContact O-C 3.47Å; F851-Q890 VanDerWaalsContact O-C 3.3Å; F851-Q890 WeakPolarHBondContact O-CA 3.31Å; I854-Q890 PolarHBondContact O-NE2 2.73Å; K886-Q890 PolarHBondContact O-N 2.63Å; Q890-R892 PolarHBondContact O-N 2.69Å; Q890-R892 PolarHBondContact O-NH1 3.29Å |
| 891 | K | 71.6 | Confident | 64 | Low | 139 Ų | 139 | 60.9 Ų | 60.9 | 60% | 0.604 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 29.6 | 179.2 | -59.9 | 178.1 | -177 | 173.4 | 0 | 114.1 | F851 F852 I914 | F851-K891 PolarHBondContact O-N 3.43Å; F852-K891 HydrophobicContact CD2-CG 4.44Å; F852-K891 HydrophobicContact CE2-CG 4.25Å; K891-I914 PolarHBondContact O-N 3.22Å |
| 892 | R | 78.7 | Confident | 65.8 | Low | 22 Ų | 22 | 57.1 Ų | 57.1 | 8% | 0.083 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 175.5 | 178.2 | -72.2 | 171.6 | 175.9 | 86.8 | -10.1 | 111.3 | F851 N887 L888 Q890 A911 A912 I914 S965 | F851-R892 CarbonylContact C-O 3.51Å; F851-R892 VanDerWaalsContact CB-C 3.47Å; F851-R892 HydrophobicContact CB-CB 4.22Å; F851-R892 WeakPolarHBondContact CB-O 3.29Å; F851-R892 PolarHBondContact O-N 2.8Å; N887-R892 PolarHBondContact O-NH1 3.19Å; L888-R892 VanDerWaalsContact C-NH1 3.33Å; L888-R892 WeakPolarHBondContact O-CD 3.4Å; L888-R892 PolarHBondContact O-NE 3.42Å; L888-R892 PolarHBondContact O-NH1 3.25Å; L888-R892 VanDerWaalsContact O-NH1 3.15Å; Q890-R892 PolarHBondContact O-N 2.69Å; Q890-R892 PolarHBondContact O-NH1 3.29Å; R892-A911 HydrophobicContact CB-CB 4.19Å; R892-A911 WeakPolarHBondContact CD-O 3.16Å; R892-A912 CarbonylContact C-O 3.55Å; R892-A912 WeakPolarHBondContact CA-O 3.46Å; R892-A912 VanDerWaalsContact CB-O 3.22Å; R892-A912 WeakPolarHBondContact CB-O 3.36Å; R892-I914 VanDerWaalsContact O-CD1 3.28Å; R892-I914 WeakPolarHBondContact O-CD1 3.11Å; R892-S965 PolarHBondContact NE-O 3.33Å; R892-S965 PolarHBondContact NH2-O 2.88Å |
| 893 | W | 84.7 | Confident | 67.9 | Low | 47 Ų | 47 | 47.7 Ų | 47.7 | 18% | 0.178 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 148.9 | 171.4 | 69.3 | -82.2 | 0 | 0 | 0 | 109.3 | P832 K895 A911 A912 P913 I914 | P832-W893 HydrophobicContact CB-CB 4.26Å; P832-W893 HydrophobicContact CB-CD2 3.36Å; P832-W893 HydrophobicContact CB-CE3 3.21Å; P832-W893 HydrophobicContact CB-CG 3.83Å; P832-W893 HydrophobicContact CB-CH2 4.18Å; P832-W893 HydrophobicContact CB-CZ2 4.32Å; P832-W893 HydrophobicContact CB-CZ3 3.65Å; P832-W893 HydrophobicContact CG-CD2 3.53Å; P832-W893 HydrophobicContact CG-CE3 3.9Å; P832-W893 HydrophobicContact CG-CG 3.81Å; P832-W893 HydrophobicContact CG-CH2 4.39Å; P832-W893 HydrophobicContact CG-CZ2 4.08Å; P832-W893 HydrophobicContact CG-CZ3 4.31Å; W893-K895 HydrophobicContact CE3-CB 4.36Å; W893-K895 HydrophobicContact CH2-CB 3.84Å; W893-K895 HydrophobicContact CH2-CD 4.35Å; W893-K895 HydrophobicContact CH2-CG 3.91Å; W893-K895 HydrophobicContact CZ2-CB 4.13Å; W893-K895 HydrophobicContact CZ2-CD 4.31Å; W893-K895 HydrophobicContact CZ2-CG 4.31Å; W893-K895 HydrophobicContact CZ3-CB 3.96Å; W893-K895 HydrophobicContact CZ3-CG 4.41Å; W893-K895 PolarHBondContact O-N 2.77Å; W893-A911 CarbonylContact O-C 3.55Å; W893-A911 WeakPolarHBondContact O-CA 3.22Å; W893-A912 HydrophobicContact CZ2-CB 4.27Å; W893-A912 PolarHBondContact N-O 3.49Å; W893-A912 PolarHBondContact O-N 2.93Å; W893-P913 PolarHBondContact NE1-O 3.08Å; W893-I914 HydrophobicContact CB-CG1 4.24Å; W893-I914 HydrophobicContact CG-CG1 4.49Å |
| 894 | P | 87.8 | Confident | 70 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 113.9 | -178.9 | 31.3 | -37.1 | 0 | 0 | 0 | 111.3 | T775 P834 I836 F851 V909 | T775-P894 HydrophobicContact CG2-CB 3.69Å; T775-P894 HydrophobicContact CG2-CG 3.47Å; T775-P894 VanDerWaalsContact CG2-CG 3.47Å; P834-P894 WeakPolarHBondContact O-CD 3.29Å; I836-P894 HydrophobicContact CB-CB 3.92Å; I836-P894 HydrophobicContact CB-CG 3.8Å; I836-P894 HydrophobicContact CD1-CB 4.38Å; I836-P894 HydrophobicContact CG1-CB 4.4Å; F851-P894 HydrophobicContact CD2-CB 4.14Å; F851-P894 HydrophobicContact CD2-CG 4.18Å; F851-P894 HydrophobicContact CE2-CB 3.84Å; F851-P894 HydrophobicContact CE2-CG 4.28Å; P894-V909 HydrophobicContact CB-CG1 3.95Å |
| 895 | K | 83.9 | Confident | 72 | Confident | 59 Ų | 59 | 46.1 Ų | 46.1 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -44.1 | -175.6 | 172.6 | 170.7 | 163 | -75.6 | 0 | 113.8 | W893 E910 A912 | W893-K895 HydrophobicContact CE3-CB 4.36Å; W893-K895 HydrophobicContact CH2-CB 3.84Å; W893-K895 HydrophobicContact CH2-CD 4.35Å; W893-K895 HydrophobicContact CH2-CG 3.91Å; W893-K895 HydrophobicContact CZ2-CB 4.13Å; W893-K895 HydrophobicContact CZ2-CD 4.31Å; W893-K895 HydrophobicContact CZ2-CG 4.31Å; W893-K895 HydrophobicContact CZ3-CB 3.96Å; W893-K895 HydrophobicContact CZ3-CG 4.41Å; W893-K895 PolarHBondContact O-N 2.77Å; K895-E910 WeakPolarHBondContact CB-O 3.29Å; K895-E910 PolarHBondContact N-O 3.07Å; K895-E910 IonicContact NZ-OE1 3.78Å; K895-E910 PolarHBondContact NZ-OE1 3.42Å; K895-E910 IonicContact NZ-OE2 2.64Å; K895-E910 PolarHBondContact NZ-OE2 3.1Å; K895-A912 HydrophobicContact CB-CB 3.86Å; K895-A912 HydrophobicContact CD-CB 3.98Å |
| 896 | H | 86.2 | Confident | 74 | Confident | 39 Ų | 39 | 42.5 Ų | 42.5 | 18% | 0.181 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 151.8 | 173.4 | -52.2 | 139.9 | 0 | 0 | 0 | 108.7 | W762 Y898 E910 | W762-H896 AromaticContact CE3-CD2 3.97Å; W762-H896 AromaticContact CZ3-CD2 3.86Å; H896-Y898 HydrophobicContact CB-CE2 3.97Å; H896-E910 HydrophobicContact CB-CB 4.18Å; H896-E910 IonicContact CE1-OE2 2.57Å; H896-E910 IonicContact CG-OE2 2.62Å; H896-E910 IonicContact ND1-OE2 2.62Å; H896-E910 PolarHBondContact ND1-OE2 2.85Å; H896-E910 PolarHBondContact O-N 3.47Å |
| 897 | H | 88.7 | Confident | 76 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 134.4 | 177.3 | 54.4 | -79.4 | 0 | 0 | 0 | 112.9 | W762 S764 A773 I836 L907 V908 V909 | W762-H897 AromaticContact CD1-CE1 3.41Å; W762-H897 VanDerWaalsContact CD1-CE1 3.41Å; W762-H897 AromaticContact CD1-ND1 3.48Å; W762-H897 AromaticContact CD1-NE2 3.9Å; W762-H897 PolarHBondContact NE1-O 2.8Å; S764-H897 WeakPolarHBondContact CB-O 3.43Å; S764-H897 PolarHBondContact OG-CD2 3.05Å; S764-H897 PolarHBondContact OG-O 2.85Å; A773-H897 VanDerWaalsContact CB-CD2 3.49Å; A773-H897 WeakPolarHBondContact CB-CD2 3.35Å; A773-H897 WeakPolarHBondContact CB-NE2 3.42Å; A773-H897 PolarHBondContact O-NE2 2.82Å; I836-H897 HydrophobicContact CD1-CB 4.12Å; H897-L907 HydrophobicContact CB-CD1 4.03Å; H897-V908 CarbonylContact C-O 3.59Å; H897-V908 VanDerWaalsContact CA-O 3.29Å; H897-V908 WeakPolarHBondContact CA-O 3.16Å; H897-V909 HydrophobicContact CB-CB 4.34Å; H897-V909 HydrophobicContact CB-CG1 4.29Å; H897-V909 HydrophobicContact CB-CG2 3.92Å |
| 898 | Y | 86.4 | Confident | 77.6 | Confident | 61 Ų | 61 | 32.5 Ų | 32.5 | 24% | 0.239 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 119.5 | -170.6 | -64.1 | -91.8 | 0 | 0 | 0 | 111.1 | W762 H896 L907 V908 L995 I996 | W762-Y898 HydrophobicContact CZ2-CE1 4.34Å; W762-Y898 AromaticContact CZ2-CZ 4Å; H896-Y898 HydrophobicContact CB-CE2 3.97Å; Y898-L907 VanDerWaalsContact C-CD1 3.47Å; Y898-L907 CarbonylContact O-C 3.45Å; Y898-L907 WeakPolarHBondContact O-CA 3.45Å; Y898-V908 PolarHBondContact N-O 2.78Å; Y898-V908 PolarHBondContact O-N 2.97Å; Y898-L995 HydrophobicContact CD2-CD2 3.66Å; Y898-L995 HydrophobicContact CD2-CG 3.81Å; Y898-L995 HydrophobicContact CE2-CB 4.45Å; Y898-L995 HydrophobicContact CE2-CD2 4.17Å; Y898-L995 HydrophobicContact CE2-CG 4Å; Y898-I996 VanDerWaalsContact CE1-O 3.22Å; Y898-I996 WeakPolarHBondContact CE1-O 3.3Å |
| 899 | W | 82.7 | Confident | 78.9 | Confident | 22 Ų | 22 | 32.1 Ų | 32.1 | 8% | 0.083 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 150.8 | 163.4 | -63 | 89.4 | 0 | 0 | 0 | 109.9 | S764 M765 N766 S904 M906 L907 V973 | S764-W899 VanDerWaalsContact OG-CD1 3.29Å; M765-W899 VanDerWaalsContact O-CD1 3.24Å; N766-W899 HydrophobicContact CB-CD2 3.7Å; N766-W899 HydrophobicContact CB-CE3 3.61Å; N766-W899 HydrophobicContact CB-CG 4.37Å; N766-W899 HydrophobicContact CB-CH2 3.76Å; N766-W899 HydrophobicContact CB-CZ2 3.9Å; N766-W899 HydrophobicContact CB-CZ3 3.64Å; W899-S904 WeakPolarHBondContact CZ3-O 3.4Å; W899-M906 CarbonylContact C-O 3.51Å; W899-M906 VanDerWaalsContact CA-O 3.3Å; W899-M906 WeakPolarHBondContact CA-O 3.5Å; W899-L907 HydrophobicContact CD2-CB 4.16Å; W899-L907 HydrophobicContact CD2-CD1 4.04Å; W899-L907 HydrophobicContact CE3-CB 4.03Å; W899-L907 HydrophobicContact CG-CD1 3.95Å; W899-L907 HydrophobicContact CZ2-CD2 4.36Å; W899-L907 HydrophobicContact CZ3-CB 4.37Å; W899-V973 HydrophobicContact CH2-CB 3.51Å; W899-V973 HydrophobicContact CH2-CG1 3.52Å; W899-V973 HydrophobicContact CH2-CG2 4.2Å; W899-V973 HydrophobicContact CZ2-CG1 4.3Å; W899-V973 HydrophobicContact CZ3-CB 3.75Å; W899-V973 HydrophobicContact CZ3-CG1 4.26Å; W899-V973 HydrophobicContact CZ3-CG2 4.41Å |
| 900 | D | 79.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -72.4 | 148.7 | 168.3 | -179.3 | 51.4 | 0 | 0 | 0 | 112.4 | F492 Y902 E903 M906 | F492-D900 HydrophobicContact CE2-CB 3.69Å; F492-D900 WeakPolarHBondContact CE2-OD2 3.48Å; F492-D900 HydrophobicContact CZ-CB 4.29Å; F492-D900 VanDerWaalsContact CZ-CG 3.45Å; F492-D900 WeakPolarHBondContact CZ-OD2 3.47Å; D900-Y902 VanDerWaalsContact OD2-CA 3.29Å; D900-Y902 WeakPolarHBondContact OD2-CA 2.96Å; D900-Y902 WeakPolarHBondContact OD2-CB 3.04Å; D900-Y902 PolarHBondContact OD2-N 2.89Å; D900-E903 HydrophobicContact CB-CB 4.21Å; D900-E903 WeakPolarHBondContact OD2-CB 3.33Å; D900-E903 PolarHBondContact OD2-N 2.88Å; D900-M906 HydrophobicContact CB-CB 4.41Å; D900-M906 HydrophobicContact CB-CE 3.9Å; D900-M906 PolarHBondContact N-O 2.88Å | ||
| 901 | Q | 70.7 | Confident | 80.8 | Confident | 73 Ų | 73 | 29.4 Ų | 29.4 | 34% | 0.341 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -73.1 | -28.2 | 177.6 | 47.3 | 178 | -10.1 | 0 | 0 | 113.1 | ||
| 902 | Y | 68.3 | Low | 81.4 | Confident | 30 Ų | 30 | 23.1 Ų | 23.1 | 12% | 0.118 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -103.9 | -31.6 | -177 | -53.3 | -45.5 | 0 | 0 | 0 | 112.6 | G494 Y495 G496 K767 D900 E999 | G494-Y902 WeakPolarHBondContact O-CB 3.32Å; G494-Y902 VanDerWaalsContact O-CD1 3.25Å; G494-Y902 WeakPolarHBondContact O-CD1 3.43Å; Y495-Y902 WeakPolarHBondContact O-CD1 2.91Å; Y495-Y902 WeakPolarHBondContact O-CE1 3.34Å; G496-Y902 WeakPolarHBondContact CA-OH 3.46Å; K767-Y902 WeakPolarHBondContact CD-O 3.05Å; K767-Y902 PolarHBondContact NZ-O 3.28Å; D900-Y902 VanDerWaalsContact OD2-CA 3.29Å; D900-Y902 WeakPolarHBondContact OD2-CA 2.96Å; D900-Y902 WeakPolarHBondContact OD2-CB 3.04Å; D900-Y902 PolarHBondContact OD2-N 2.89Å; Y902-E999 HydrophobicContact CE2-CG 4.4Å |
| 903 | E | 70.2 | Confident | 81.4 | Confident | 9 Ų | 9 | 23.7 Ų | 23.7 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | trans | -113.9 | 102.7 | -176 | 178.5 | 53.5 | -100 | 0 | 0 | 111.9 | F492 Y493 D900 R905 M906 | F492-E903 WeakPolarHBondContact CA-OE2 3.24Å; F492-E903 HydrophobicContact CB-CG 4.35Å; F492-E903 HydrophobicContact CD2-CB 3.37Å; F492-E903 HydrophobicContact CD2-CG 3.54Å; F492-E903 HydrophobicContact CE2-CB 3.37Å; F492-E903 HydrophobicContact CE2-CG 4.06Å; F492-E903 HydrophobicContact CG-CB 4.06Å; F492-E903 HydrophobicContact CG-CG 4.12Å; F492-E903 HydrophobicContact CZ-CB 4.03Å; Y493-E903 PolarHBondContact N-OE2 3.43Å; D900-E903 HydrophobicContact CB-CB 4.21Å; D900-E903 WeakPolarHBondContact OD2-CB 3.33Å; D900-E903 PolarHBondContact OD2-N 2.88Å; E903-R905 VanDerWaalsContact CD-NE 3.27Å; E903-R905 HydrophobicContact CG-CB 4.13Å; E903-R905 PolarHBondContact O-N 2.88Å; E903-R905 VanDerWaalsContact OE1-CB 3.3Å; E903-R905 WeakPolarHBondContact OE1-CB 2.99Å; E903-R905 VanDerWaalsContact OE1-CG 3.31Å; E903-R905 WeakPolarHBondContact OE1-CG 3.01Å; E903-R905 IonicContact OE1-CZ 2.64Å; E903-R905 PolarHBondContact OE1-N 3.02Å; E903-R905 IonicContact OE1-NE 3.68Å; E903-R905 PolarHBondContact OE1-NE 3.4Å; E903-R905 IonicContact OE1-NH2 3.49Å; E903-R905 IonicContact OE2-CZ 3.79Å; E903-R905 IonicContact OE2-NE 3.29Å; E903-R905 PolarHBondContact OE2-NE 2.99Å; E903-R905 IonicContact OE2-NH2 3.48Å; E903-R905 PolarHBondContact OE2-NH2 3.47Å; E903-M906 HydrophobicContact CB-CB 4.34Å; E903-M906 HydrophobicContact CG-CB 3.85Å; E903-M906 PolarHBondContact O-N 3.29Å | ||
| 904 | S | 72.2 | Confident | 81 | Confident | 42 Ų | 42 | 22.6 Ų | 22.6 | 29% | 0.294 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -22.8 | 175.9 | -0.9 | 0 | 0 | 0 | 0 | 114.8 | W899 | W899-S904 WeakPolarHBondContact CZ3-O 3.4Š|
| 905 | R | 72.7 | Confident | 80.3 | Confident | 73 Ų | 73 | 25.2 Ų | 25.2 | 28% | 0.275 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -29 | -176.7 | -64.8 | 172.7 | -73.8 | -171.1 | 0.1 | 113.7 | H491 E903 F972 V973 Y1125 | H491-R905 PolarHBondContact CD2-NH1 2.87Å; H491-R905 PolarHBondContact NE2-NH1 3.2Å; H491-R905 VanDerWaalsContact NE2-NH1 3.18Å; E903-R905 VanDerWaalsContact CD-NE 3.27Å; E903-R905 HydrophobicContact CG-CB 4.13Å; E903-R905 PolarHBondContact O-N 2.88Å; E903-R905 VanDerWaalsContact OE1-CB 3.3Å; E903-R905 WeakPolarHBondContact OE1-CB 2.99Å; E903-R905 VanDerWaalsContact OE1-CG 3.31Å; E903-R905 WeakPolarHBondContact OE1-CG 3.01Å; E903-R905 IonicContact OE1-CZ 2.64Å; E903-R905 PolarHBondContact OE1-N 3.02Å; E903-R905 IonicContact OE1-NE 3.68Å; E903-R905 PolarHBondContact OE1-NE 3.4Å; E903-R905 IonicContact OE1-NH2 3.49Å; E903-R905 IonicContact OE2-CZ 3.79Å; E903-R905 IonicContact OE2-NE 3.29Å; E903-R905 PolarHBondContact OE2-NE 2.99Å; E903-R905 IonicContact OE2-NH2 3.48Å; E903-R905 PolarHBondContact OE2-NH2 3.47Å; R905-F972 HydrophobicContact CB-CD1 4.08Å; R905-F972 CarbonylContact O-C 3.36Å; R905-F972 VanDerWaalsContact O-CA 3.29Å; R905-F972 WeakPolarHBondContact O-CA 3.11Å; R905-V973 PolarHBondContact O-N 2.81Å; R905-Y1125 PolarHBondContact NH2-OH 2.9Å |
| 906 | M | 80.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 126.9 | -164 | -156.4 | -62.6 | -53.4 | 0 | 0 | 111.4 | F492 W899 D900 E903 V908 L971 F972 V998 | F492-M906 HydrophobicContact CD2-CB 3.86Å; F492-M906 HydrophobicContact CD2-CG 4.04Å; F492-M906 HydrophobicContact CE2-CB 4.22Å; W899-M906 CarbonylContact C-O 3.51Å; W899-M906 VanDerWaalsContact CA-O 3.3Å; W899-M906 WeakPolarHBondContact CA-O 3.5Å; D900-M906 HydrophobicContact CB-CB 4.41Å; D900-M906 HydrophobicContact CB-CE 3.9Å; D900-M906 PolarHBondContact N-O 2.88Å; E903-M906 HydrophobicContact CB-CB 4.34Å; E903-M906 HydrophobicContact CG-CB 3.85Å; E903-M906 PolarHBondContact O-N 3.29Å; M906-V908 HydrophobicContact CE-CG2 3.87Å; M906-V908 HydrophobicContact SD-CG2 3.69Å; M906-L971 WeakPolarHBondContact CA-O 3.5Å; M906-F972 HydrophobicContact CB-CD1 4.08Å; M906-F972 HydrophobicContact CB-CE1 3.85Å; M906-F972 HydrophobicContact CG-CD1 4.09Å; M906-F972 HydrophobicContact CG-CE1 3.59Å; M906-F972 HydrophobicContact CG-CZ 4.35Å; M906-V998 HydrophobicContact CE-CB 3.95Å; M906-V998 HydrophobicContact CE-CG1 3.75Å; M906-V998 HydrophobicContact CE-CG2 4.03Å |
| 907 | L | 85.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 112.1 | 180 | 173.3 | 65.1 | 0 | 0 | 0 | 110 | A773 H897 Y898 W899 V909 L971 V973 | A773-L907 HydrophobicContact CB-CD2 4.24Å; H897-L907 HydrophobicContact CB-CD1 4.03Å; Y898-L907 VanDerWaalsContact C-CD1 3.47Å; Y898-L907 CarbonylContact O-C 3.45Å; Y898-L907 WeakPolarHBondContact O-CA 3.45Å; W899-L907 HydrophobicContact CD2-CB 4.16Å; W899-L907 HydrophobicContact CD2-CD1 4.04Å; W899-L907 HydrophobicContact CE3-CB 4.03Å; W899-L907 HydrophobicContact CG-CD1 3.95Å; W899-L907 HydrophobicContact CZ2-CD2 4.36Å; W899-L907 HydrophobicContact CZ3-CB 4.37Å; L907-V909 HydrophobicContact CG-CG2 4.32Å; L907-L971 HydrophobicContact CB-CB 4.38Å; L907-L971 HydrophobicContact CD2-CD1 4.38Å; L907-L971 PolarHBondContact N-O 3.28Å; L907-L971 WeakPolarHBondContact O-CA 3.45Å; L907-L971 WeakPolarHBondContact O-CB 3.25Å; L907-L971 PolarHBondContact O-N 2.9Å; L907-V973 HydrophobicContact CB-CG2 3.99Å; L907-V973 HydrophobicContact CD2-CG2 3.77Å |
| 908 | V | 85.8 | Confident | 77.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 132.5 | 169.6 | 179 | 0 | 0 | 0 | 0 | 110.6 | H897 Y898 M906 I968 V969 L995 V998 I1003 | H897-V908 CarbonylContact C-O 3.59Å; H897-V908 VanDerWaalsContact CA-O 3.29Å; H897-V908 WeakPolarHBondContact CA-O 3.16Å; Y898-V908 PolarHBondContact N-O 2.78Å; Y898-V908 PolarHBondContact O-N 2.97Å; M906-V908 HydrophobicContact CE-CG2 3.87Å; M906-V908 HydrophobicContact SD-CG2 3.69Å; V908-I968 HydrophobicContact CG1-CG2 3.39Å; V908-V969 WeakPolarHBondContact CA-O 3.15Å; V908-L995 HydrophobicContact CB-CD2 4.12Å; V908-L995 HydrophobicContact CG1-CD1 4.11Å; V908-L995 HydrophobicContact CG1-CD2 3.54Å; V908-L995 HydrophobicContact CG1-CG 4.5Å; V908-V998 HydrophobicContact CB-CG2 3.69Å; V908-V998 HydrophobicContact CG2-CG1 4.42Å; V908-V998 HydrophobicContact CG2-CG2 3.49Å; V908-V998 VanDerWaalsContact CG2-CG2 3.49Å; V908-I1003 HydrophobicContact CG2-CD1 4.37Å |
| 909 | V | 87.2 | Confident | 77.1 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 131.2 | 174.6 | -173.3 | 0 | 0 | 0 | 0 | 110.7 | I836 F851 P894 H897 L907 A911 I968 V969 L971 | I836-V909 HydrophobicContact CD1-CG2 4.18Å; F851-V909 HydrophobicContact CE1-CG1 4.49Å; F851-V909 HydrophobicContact CE2-CG1 4.28Å; F851-V909 HydrophobicContact CZ-CB 4.2Å; F851-V909 HydrophobicContact CZ-CG1 3.74Å; F851-V909 HydrophobicContact CZ-CG2 4.45Å; P894-V909 HydrophobicContact CB-CG1 3.95Å; H897-V909 HydrophobicContact CB-CB 4.34Å; H897-V909 HydrophobicContact CB-CG1 4.29Å; H897-V909 HydrophobicContact CB-CG2 3.92Å; L907-V909 HydrophobicContact CG-CG2 4.32Å; V909-A911 PolarHBondContact O-N 2.64Å; V909-I968 WeakPolarHBondContact O-CA 3.44Å; V909-V969 PolarHBondContact N-O 3.42Å; V909-V969 PolarHBondContact O-N 2.94Å; V909-L971 HydrophobicContact CG2-CD1 3.72Å; V909-L971 HydrophobicContact CG2-CG 4.46Å |
| 910 | E | 89 | Confident | 76.5 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.009 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 96.1 | 164.3 | -170 | -169.7 | 141.6 | 0 | 0 | 108.7 | K895 H896 T966 I968 A994 L995 | K895-E910 WeakPolarHBondContact CB-O 3.29Å; K895-E910 PolarHBondContact N-O 3.07Å; K895-E910 IonicContact NZ-OE1 3.78Å; K895-E910 PolarHBondContact NZ-OE1 3.42Å; K895-E910 IonicContact NZ-OE2 2.64Å; K895-E910 PolarHBondContact NZ-OE2 3.1Å; H896-E910 HydrophobicContact CB-CB 4.18Å; H896-E910 IonicContact CE1-OE2 2.57Å; H896-E910 IonicContact CG-OE2 2.62Å; H896-E910 IonicContact ND1-OE2 2.62Å; H896-E910 PolarHBondContact ND1-OE2 2.85Å; H896-E910 PolarHBondContact O-N 3.47Å; E910-T966 HydrophobicContact CG-CG2 3.41Å; E910-T966 VanDerWaalsContact CG-CG2 3.41Å; E910-I968 HydrophobicContact CB-CD1 4.34Å; E910-I968 HydrophobicContact CG-CD1 4.11Å; E910-A994 WeakPolarHBondContact OE2-CA 2.82Å; E910-L995 HydrophobicContact CB-CB 4.02Å; E910-L995 HydrophobicContact CB-CD2 4.16Å; E910-L995 HydrophobicContact CG-CB 4.38Å; E910-L995 PolarHBondContact OE2-N 3.45Å |
| 911 | A | 85 | Confident | 75.9 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 105.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F851 R892 W893 V909 T966 S967 V969 | F851-A911 HydrophobicContact CD1-CB 3.8Å; F851-A911 HydrophobicContact CE1-CB 3.61Å; F851-A911 HydrophobicContact CZ-CB 4.43Å; R892-A911 HydrophobicContact CB-CB 4.19Å; R892-A911 WeakPolarHBondContact CD-O 3.16Å; W893-A911 CarbonylContact O-C 3.55Å; W893-A911 WeakPolarHBondContact O-CA 3.22Å; V909-A911 PolarHBondContact O-N 2.64Å; A911-T966 CarbonylContact O-C 3.5Å; A911-T966 WeakPolarHBondContact O-CA 2.93Å; A911-T966 WeakPolarHBondContact O-CG2 3.29Å; A911-S967 PolarHBondContact N-O 3Å; A911-S967 PolarHBondContact O-N 3.25Å; A911-V969 HydrophobicContact CB-CG2 4.36Å |
| 912 | A | 83.8 | Confident | 75.5 | Confident | 7 Ų | 7 | 31.9 Ų | 31.9 | 6% | 0.058 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 146.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R892 W893 K895 | R892-A912 CarbonylContact C-O 3.55Å; R892-A912 WeakPolarHBondContact CA-O 3.46Å; R892-A912 VanDerWaalsContact CB-O 3.22Å; R892-A912 WeakPolarHBondContact CB-O 3.36Å; W893-A912 HydrophobicContact CZ2-CB 4.27Å; W893-A912 PolarHBondContact N-O 3.49Å; W893-A912 PolarHBondContact O-N 2.93Å; K895-A912 HydrophobicContact CB-CB 3.86Å; K895-A912 HydrophobicContact CD-CB 3.98Å |
| 913 | P | 78.4 | Confident | 74.9 | Confident | 34 Ų | 34 | 32.3 Ų | 32.3 | 22% | 0.221 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 149 | 179.2 | 27.9 | -34.7 | 0 | 0 | 0 | 113.3 | W893 V964 | W893-P913 PolarHBondContact NE1-O 3.08Å; P913-V964 HydrophobicContact CB-CB 3.91Å; P913-V964 HydrophobicContact CB-CG1 3.5Å; P913-V964 VanDerWaalsContact CB-CG1 3.5Å; P913-V964 HydrophobicContact CG-CB 3.6Å; P913-V964 HydrophobicContact CG-CG1 3.7Å; P913-V964 WeakPolarHBondContact CG-O 2.92Å |
| 914 | I | 77.2 | Confident | 74.2 | Confident | 23 Ų | 23 | 37 Ų | 37 | 12% | 0.118 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -76.7 | 142.6 | 176.8 | -72.9 | 164.5 | 0 | 0 | 0 | 110.9 | P834 F852 K891 R892 W893 H918 L921 | P834-I914 HydrophobicContact CB-CD1 4.2Å; F852-I914 HydrophobicContact CB-CD1 4.12Å; F852-I914 HydrophobicContact CD2-CD1 3.74Å; F852-I914 HydrophobicContact CG-CD1 4.36Å; K891-I914 PolarHBondContact O-N 3.22Å; R892-I914 VanDerWaalsContact O-CD1 3.28Å; R892-I914 WeakPolarHBondContact O-CD1 3.11Å; W893-I914 HydrophobicContact CB-CG1 4.24Å; W893-I914 HydrophobicContact CG-CG1 4.49Å; I914-H918 HydrophobicContact CG2-CB 3.55Å; I914-L921 HydrophobicContact CG2-CD1 4.34Å |
| 915 | S | 71.7 | Confident | 72.8 | Confident | 56 Ų | 56 | 39.1 Ų | 39.1 | 39% | 0.392 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -69.2 | 141.5 | 178.1 | -179 | 0 | 0 | 0 | 0 | 112 | D917 H918 L921 | S915-D917 PolarHBondContact O-N 3.07Å; S915-D917 VanDerWaalsContact O-N 3.12Å; S915-D917 PolarHBondContact OG-N 3.44Å; S915-H918 WeakPolarHBondContact O-CB 3.45Å; S915-H918 PolarHBondContact O-N 2.97Å; S915-L921 WeakPolarHBondContact O-CD1 3.47Å |
| 916 | P | 67.6 | Low | 71 | Confident | 106 Ų | 106 | 41.5 Ų | 41.5 | 69% | 0.688 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.9 | 171.8 | 26.6 | -35.9 | 0 | 0 | 0 | 113.7 | H918 | P916-H918 PolarHBondContact O-N 3.32Š|
| 917 | D | 68.4 | Low | 69.1 | Low | 99 Ų | 99 | 47.3 Ų | 47.3 | 53% | 0.529 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -10.7 | 174.4 | -66.6 | -32.8 | 0 | 0 | 0 | 113.8 | S915 | S915-D917 PolarHBondContact O-N 3.07Å; S915-D917 VanDerWaalsContact O-N 3.12Å; S915-D917 PolarHBondContact OG-N 3.44Å |
| 918 | H | 73.4 | Confident | 66.7 | Low | 6 Ų | 6 | 54.1 Ų | 54.1 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | trans | -68.7 | 130.8 | -168.4 | -164.9 | -57.5 | 0 | 0 | 0 | 112 | W789 I831 P832 I914 S915 P916 I920 L921 | W789-H918 AromaticContact CH2-CE1 3.75Å; W789-H918 AromaticContact CZ3-CE1 3.93Å; I831-H918 WeakPolarHBondContact CG2-CD2 3.45Å; I831-H918 VanDerWaalsContact CG2-NE2 3.27Å; I831-H918 WeakPolarHBondContact CG2-NE2 2.99Å; P832-H918 PolarHBondContact O-NE2 3.48Å; I914-H918 HydrophobicContact CG2-CB 3.55Å; S915-H918 WeakPolarHBondContact O-CB 3.45Å; S915-H918 PolarHBondContact O-N 2.97Å; P916-H918 PolarHBondContact O-N 3.32Å; H918-I920 VanDerWaalsContact C-N 3.35Å; H918-I920 WeakPolarHBondContact CE1-CD1 3.46Å; H918-I920 VanDerWaalsContact CE1-CG1 3.45Å; H918-I920 WeakPolarHBondContact CE1-CG1 3.22Å; H918-I920 WeakPolarHBondContact ND1-CG1 3.2Å; H918-I920 PolarHBondContact ND1-N 3.37Å; H918-I920 PolarHBondContact O-N 2.89Å; H918-L921 PolarHBondContact O-N 3.06Å | ||
| 919 | P | 70 | Confident | 64.3 | Low | 14 Ų | 14 | 61.4 Ų | 61.4 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -54.7 | -40.6 | -174.7 | 16.9 | -31.4 | 0 | 0 | 0 | 114.8 | L780 W789 I831 L921 K922 S923 | L780-P919 HydrophobicContact CD1-CG 4.46Å; W789-P919 HydrophobicContact CB-CB 3.97Å; W789-P919 HydrophobicContact CD2-CB 4.45Å; W789-P919 HydrophobicContact CD2-CG 4.24Å; W789-P919 HydrophobicContact CE3-CB 4Å; W789-P919 HydrophobicContact CE3-CG 3.43Å; W789-P919 VanDerWaalsContact CE3-CG 3.43Å; W789-P919 HydrophobicContact CG-CB 4.47Å; W789-P919 HydrophobicContact CZ3-CG 3.89Å; I831-P919 HydrophobicContact CD1-CG 3.74Å; P919-L921 PolarHBondContact O-N 2.99Å; P919-K922 PolarHBondContact O-N 3.02Å; P919-S923 PolarHBondContact O-N 3.32Å; P919-S923 PolarHBondContact O-OG 2.78Å |
| 920 | I | 70.2 | Confident | 61.9 | Low | 6 Ų | 6 | 70.8 Ų | 70.8 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -37 | -44.5 | 167.2 | -70.9 | 175.6 | 0 | 0 | 0 | 114.2 | W789 P834 F852 H918 S923 | W789-I920 HydrophobicContact CD2-CG1 3.8Å; W789-I920 HydrophobicContact CG-CG1 4.05Å; W789-I920 HydrophobicContact CH2-CD1 4.38Å; W789-I920 HydrophobicContact CH2-CG1 4.4Å; W789-I920 HydrophobicContact CZ2-CD1 3.67Å; W789-I920 HydrophobicContact CZ2-CG1 3.66Å; W789-I920 VanDerWaalsContact NE1-CG1 3.3Å; P834-I920 HydrophobicContact CG-CD1 4.04Å; F852-I920 HydrophobicContact CD1-CG2 3.84Å; F852-I920 HydrophobicContact CD2-CG2 3.99Å; F852-I920 HydrophobicContact CE1-CG2 3.34Å; F852-I920 HydrophobicContact CE2-CG2 3.52Å; F852-I920 HydrophobicContact CG-CG2 4.15Å; F852-I920 HydrophobicContact CZ-CG2 3.18Å; H918-I920 VanDerWaalsContact C-N 3.35Å; H918-I920 WeakPolarHBondContact CE1-CD1 3.46Å; H918-I920 VanDerWaalsContact CE1-CG1 3.45Å; H918-I920 WeakPolarHBondContact CE1-CG1 3.22Å; H918-I920 WeakPolarHBondContact ND1-CG1 3.2Å; H918-I920 PolarHBondContact ND1-N 3.37Å; H918-I920 PolarHBondContact O-N 2.89Å; I920-S923 PolarHBondContact O-OG 3.33Å |
| 921 | L | 66.9 | Low | 59.1 | Low | 49 Ų | 49 | 76.7 Ų | 76.7 | 26% | 0.257 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -76.9 | -33.3 | -175.2 | -63.9 | 173.5 | 0 | 0 | 0 | 111.6 | F852 I914 S915 H918 P919 L925 | F852-L921 HydrophobicContact CE2-CD2 3.9Å; F852-L921 HydrophobicContact CZ-CD2 4.27Å; I914-L921 HydrophobicContact CG2-CD1 4.34Å; S915-L921 WeakPolarHBondContact O-CD1 3.47Å; H918-L921 PolarHBondContact O-N 3.06Å; P919-L921 PolarHBondContact O-N 2.99Å; L921-L925 WeakPolarHBondContact O-CB 3.31Å; L921-L925 PolarHBondContact O-N 3.34Å |
| 922 | K | 62 | Low | 56.3 | Low | 113 Ų | 113 | 82.5 Ų | 82.5 | 49% | 0.491 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -74.5 | -37.9 | 179.6 | -66.5 | -178.8 | 178.2 | 174.2 | 0 | 112.2 | P919 K924 | P919-K922 PolarHBondContact O-N 3.02Å; K922-K924 VanDerWaalsContact C-N 3.32Å; K922-K924 PolarHBondContact O-N 3.25Å |
| 923 | S | 56.2 | Low | 53.6 | Low | 40 Ų | 40 | 89 Ų | 89 | 28% | 0.28 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.1 | -25 | 179.1 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | F790 P919 I920 | F790-S923 VanDerWaalsContact O-CB 3.29Å; F790-S923 WeakPolarHBondContact O-CB 3.36Å; P919-S923 PolarHBondContact O-N 3.32Å; P919-S923 PolarHBondContact O-OG 2.78Å; I920-S923 PolarHBondContact O-OG 3.33Å |
| 924 | K | 54.8 | Low | 51.2 | Low | 108 Ų | 108 | 95.2 Ų | 95.2 | 47% | 0.47 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -95.6 | -16.2 | 179 | -66.3 | -162.1 | 179.8 | -166.7 | 0 | 115.7 | E853 K922 | E853-K924 IonicContact OE1-NZ 2.72Å; E853-K924 PolarHBondContact OE1-NZ 3.05Å; K922-K924 VanDerWaalsContact C-N 3.32Å; K922-K924 PolarHBondContact O-N 3.25Å |
| 925 | L | 43.5 | Very low | 48.9 | Very low | 86 Ų | 86 | 102 Ų | 102 | 45% | 0.45 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.5 | -32.6 | -172.2 | -107.3 | 162.2 | 0 | 0 | 0 | 114.4 | L921 V927 L928 E929 | L921-L925 WeakPolarHBondContact O-CB 3.31Å; L921-L925 PolarHBondContact O-N 3.34Å; L925-V927 PolarHBondContact O-N 3.05Å; L925-L928 PolarHBondContact O-N 3.17Å; L925-E929 HydrophobicContact CD2-CG 4.48Å |
| 926 | N | 35.1 | Very low | 46.7 | Very low | 122 Ų | 122 | 105.8 Ų | 105.8 | 65% | 0.652 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 0.6 | -176 | -75.1 | 1 | 0 | 0 | 0 | 115.7 | ||
| 927 | V | 39.1 | Very low | 44.7 | Very low | 122 Ų | 122 | 104.3 Ų | 104.3 | 74% | 0.739 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -19.8 | -178.8 | -175.3 | 0 | 0 | 0 | 0 | 112.7 | L925 | L925-V927 PolarHBondContact O-N 3.05Š|
| 928 | L | 35.8 | Very low | 42.6 | Very low | 143 Ų | 143 | 107 Ų | 107 | 75% | 0.749 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | -23.2 | -168 | -81 | 159 | 0 | 0 | 0 | 115.8 | L925 K930 | L925-L928 PolarHBondContact O-N 3.17Å; L928-K930 PolarHBondContact O-N 2.92Å |
| 929 | E | 36 | Very low | 40.3 | Very low | 154 Ų | 154 | 113.3 Ų | 113.3 | 72% | 0.72 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 25 | -171.4 | -63.6 | -169.9 | 141.6 | 0 | 0 | 115.4 | L925 | L925-E929 HydrophobicContact CD2-CG 4.48Š|
| 930 | K | 35.5 | Very low | 38.1 | Very low | 197 Ų | 197 | 123.2 Ų | 123.2 | 86% | 0.857 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | 9.1 | -167 | -130.5 | 179.8 | -172.6 | 178.9 | 0 | 117.2 | L928 | L928-K930 PolarHBondContact O-N 2.92Š|
| 931 | V | 30.5 | Very low | 36.1 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 76% | 0.758 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -120.2 | -66.7 | -175.8 | -169.3 | 0 | 0 | 0 | 0 | 112.7 | N933 | V931-N933 PolarHBondContact O-N 2.92Š|
| 932 | N | 27.5 | Very low | 34.1 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 65% | 0.652 | 69% | 0.693 | S | S | * | * | trans | -96.5 | 81.6 | -172.1 | -74.2 | 7.6 | 0 | 0 | 0 | 113.2 | N867 | N867-N932 PolarHBondContact OD1-ND2 3.27Å; N867-N932 VanDerWaalsContact OD1-ND2 3.15Å | ||
| 933 | N | 26.4 | Very low | 32.3 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 78% | 0.775 | 70% | 0.703 | S | S | * | * | trans | -91.1 | 167.2 | 149.3 | -98.6 | -46.9 | 0 | 0 | 0 | 109.6 | V931 | V931-N933 PolarHBondContact O-N 2.92Š| ||
| 934 | E | 28.5 | Very low | 30.7 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | trans | 79.3 | 147.8 | 172.1 | -45.2 | -163.5 | 158.8 | 0 | 0 | 116.6 | ||||
| 935 | H | 28.1 | Very low | 29.4 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | trans | 61.8 | 69.4 | -178 | -51.1 | -53.6 | 0 | 0 | 0 | 117.5 | ||||
| 936 | T | 24.9 | Very low | 28.8 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | 83 | 112 | 61 | 69.6 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 937 | G | 25.2 | Very low | 28.3 | Very low | 75 Ų | 75 | 140.7 Ų | 140.7 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | 113.3 | 142.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 938 | I | 25.4 | Very low | 27.9 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 80% | 0.795 | 75% | 0.747 | S | S | * | * | cis | -135.1 | 125.1 | 0.8 | -69.9 | 177 | 0 | 0 | 0 | 110.6 | ||||
| 939 | N | 25.6 | Very low | 27.5 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | 35.7 | 125.3 | 149.4 | -55.3 | -12.9 | 0 | 0 | 0 | 122.9 | ||||
| 940 | Y | 23.6 | Very low | 27.1 | Very low | 223 Ų | 223 | 142.8 Ų | 142.8 | 88% | 0.875 | 76% | 0.755 | S | S | * | * | trans | -60.4 | 137.2 | 142.1 | -66.5 | -105.7 | 0 | 0 | 0 | 111.2 | ||||
| 941 | I | 28 | Very low | 26.6 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 73% | 0.728 | 75% | 0.745 | S | S | * | * | trans | -173.5 | 125.2 | 156.7 | -93.1 | 140.7 | 0 | 0 | 0 | 103.3 | ||||
| 942 | T | 23.9 | Very low | 26.5 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | cis | 58.8 | 77.9 | 20 | 73.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 943 | D | 24.2 | Very low | 26.5 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | -175.8 | 141.4 | 124.6 | -88.5 | -9.6 | 0 | 0 | 0 | 108.7 | |||||
| 944 | N | 24.2 | Very low | 26.4 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 65% | 0.652 | 74% | 0.737 | S | S | * | * | 69.4 | 147.1 | 88.9 | -49.1 | -32.7 | 0 | 0 | 0 | 115.5 | |||||
| 945 | D | 26.8 | Very low | 26.4 | Very low | 144 Ų | 144 | 140.7 Ų | 140.7 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | 71 | 140.3 | 160.2 | -52.6 | -33.5 | 0 | 0 | 0 | 120.7 | ||||
| 946 | T | 30 | Very low | 26.3 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 77% | 0.767 | 75% | 0.746 | S | S | * | * | trans | 54.6 | 106.7 | 168.1 | 51.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 947 | D | 24.6 | Very low | 26.4 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 61% | 0.61 | 74% | 0.741 | S | S | * | * | cis | 59.5 | 130.5 | 29.5 | -112.5 | -1.3 | 0 | 0 | 0 | 113.9 | ||||
| 948 | Q | 30.8 | Very low | 26.4 | Very low | 154 Ų | 154 | 138 Ų | 138 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | trans | 80.2 | 113.1 | -166.7 | -52.9 | 159.8 | 66.4 | 0 | 0 | 113.7 | ||||
| 949 | H | 28.2 | Very low | 26.5 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 80% | 0.801 | 74% | 0.742 | S | S | * | * | S | Bend | cis | -137.3 | 152.7 | -1.1 | -50.7 | -103.6 | 0 | 0 | 0 | 108.3 | ||
| 950 | T | 26.9 | Very low | 26.6 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 83% | 0.828 | 74% | 0.744 | S | S | * | * | S | Bend | cis | -120.6 | 125.8 | 12.3 | 49.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 951 | T | 24.9 | Very low | 26.9 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | trans | -46.9 | 151.6 | 176.2 | 50.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 952 | V | 28.1 | Very low | 26.9 | Very low | 85 Ų | 85 | 141.2 Ų | 141.2 | 52% | 0.515 | 75% | 0.746 | S | S | . | * | -156.7 | 139.2 | 73.3 | 167.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 953 | D | 28.2 | Very low | 28 | Very low | 146 Ų | 146 | 144.3 Ų | 144.3 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | 69.7 | 68.9 | 161.6 | -62.6 | -22.8 | 0 | 0 | 0 | 121.4 | ||||
| 954 | N | 24.9 | Very low | 29.3 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | trans | -70.8 | 142.8 | 149.7 | -87.2 | -53.4 | 0 | 0 | 0 | 112.1 | ||||
| 955 | R | 27.1 | Very low | 31.2 | Very low | 237 Ų | 237 | 139 Ų | 139 | 89% | 0.894 | 73% | 0.728 | S | S | * | * | trans | -169.3 | 116.8 | 152.1 | -111.3 | 165.7 | -160.3 | -159.4 | 5.7 | 115.4 | ||||
| 956 | S | 27.3 | Very low | 33.6 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | trans | 62.3 | 143.6 | 157.9 | 68.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 957 | S | 26.9 | Very low | 36.1 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | cis | -158.8 | 147 | -13.7 | 48 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 958 | S | 25.1 | Very low | 39 | Very low | 98 Ų | 98 | 121.9 Ų | 121.9 | 69% | 0.685 | 63% | 0.633 | S | S | * | * | trans | 11.1 | 141.1 | 151.5 | 66.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 959 | K | 27.4 | Very low | 41.3 | Very low | 206 Ų | 206 | 114.6 Ų | 114.6 | 90% | 0.896 | 60% | 0.599 | S | S | * | * | trans | 63.9 | 63.3 | 152 | -62.5 | 172.3 | -178.7 | 174.2 | 0 | 116.8 | ||||
| 960 | R | 28 | Very low | 43.8 | Very low | 209 Ų | 209 | 106.6 Ų | 106.6 | 79% | 0.789 | 56% | 0.562 | S | S | * | * | trans | -122.6 | 104.4 | 150.2 | -73.2 | -177 | 172.6 | 169.5 | -3 | 109.3 | S962 D1010 | R960-S962 PolarHBondContact O-N 3.13Å; R960-D1010 IonicContact NH1-OD2 2.64Å | ||
| 961 | K | 29.4 | Very low | 46.3 | Very low | 204 Ų | 204 | 100.2 Ų | 100.2 | 89% | 0.887 | 52% | 0.523 | S | S | * | . | trans | -48.7 | 138.8 | 175 | -66.7 | -175.8 | 177.3 | -174.8 | 0 | 109.1 | K963 | K961-K963 PolarHBondContact O-N 3.27Š| ||
| 962 | S | 29.1 | Very low | 48.8 | Very low | 108 Ų | 108 | 95.6 Ų | 95.6 | 76% | 0.755 | 49% | 0.494 | S | S | * | . | trans | -47.5 | 111.7 | -177.4 | 39.9 | 0 | 0 | 0 | 0 | 110.9 | R960 V964 | R960-S962 PolarHBondContact O-N 3.13Å; S962-V964 PolarHBondContact O-N 3.22Å | ||
| 963 | K | 46.4 | Very low | 51 | Low | 177 Ų | 177 | 91.9 Ų | 91.9 | 77% | 0.77 | 47% | 0.472 | S | S | * | . | trans | -66.6 | 101.8 | 168.7 | -83 | -167.7 | 171.5 | -169.6 | 0 | 106.6 | K961 S965 | K961-K963 PolarHBondContact O-N 3.27Å; K963-S965 PolarHBondContact O-N 2.87Å | ||
| 964 | V | 51.1 | Low | 52.9 | Low | 96 Ų | 96 | 86.5 Ų | 86.5 | 58% | 0.582 | 45% | 0.445 | S | S | * | . | trans | -53.5 | 137.2 | 177.7 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | P913 S962 T966 | P913-V964 HydrophobicContact CB-CB 3.91Å; P913-V964 HydrophobicContact CB-CG1 3.5Å; P913-V964 VanDerWaalsContact CB-CG1 3.5Å; P913-V964 HydrophobicContact CG-CB 3.6Å; P913-V964 HydrophobicContact CG-CG1 3.7Å; P913-V964 WeakPolarHBondContact CG-O 2.92Å; S962-V964 PolarHBondContact O-N 3.22Å; V964-T966 PolarHBondContact O-N 3.42Å | ||
| 965 | S | 63.5 | Low | 54.7 | Low | 46 Ų | 46 | 81.8 Ų | 81.8 | 32% | 0.322 | 42% | 0.422 | S | S | . | . | trans | -82.2 | 114.9 | -159.4 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | R892 K963 L987 | R892-S965 PolarHBondContact NE-O 3.33Å; R892-S965 PolarHBondContact NH2-O 2.88Å; K963-S965 PolarHBondContact O-N 2.87Å; S965-L987 WeakPolarHBondContact OG-CD1 3.45Å; S965-L987 VanDerWaalsContact OG-CD2 3.3Å; S965-L987 WeakPolarHBondContact OG-CD2 3.26Å | ||
| 966 | T | 77.7 | Confident | 56.3 | Low | 24 Ų | 24 | 76.8 Ų | 76.8 | 15% | 0.147 | 41% | 0.413 | C | S | . | . | trans | -54.5 | 134.8 | 167.4 | -56.7 | 0 | 0 | 0 | 0 | 109.8 | E910 A911 V964 M988 | E910-T966 HydrophobicContact CG-CG2 3.41Å; E910-T966 VanDerWaalsContact CG-CG2 3.41Å; A911-T966 CarbonylContact O-C 3.5Å; A911-T966 WeakPolarHBondContact O-CA 2.93Å; A911-T966 WeakPolarHBondContact O-CG2 3.29Å; V964-T966 PolarHBondContact O-N 3.42Å; T966-M988 HydrophobicContact CG2-CB 4.3Å; T966-M988 HydrophobicContact CG2-CE 3.97Å; T966-M988 HydrophobicContact CG2-SD 4.43Å; T966-M988 WeakPolarHBondContact O-CB 3Å; T966-M988 PolarHBondContact O-N 2.94Å | ||
| 967 | S | 81.8 | Confident | 57.8 | Low | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 149.3 | 172.8 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | L888 A911 F986 | L888-S967 WeakPolarHBondContact O-CB 3.2Å; L888-S967 PolarHBondContact O-OG 2.91Å; A911-S967 PolarHBondContact N-O 3Å; A911-S967 PolarHBondContact O-N 3.25Å; S967-F986 CarbonylContact C-O 2.94Å; S967-F986 WeakPolarHBondContact CA-O 3.43Å; S967-F986 PolarHBondContact OG-O 3.14Å |
| 968 | I | 85.5 | Confident | 59 | Low | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 115.9 | 174.1 | -55.9 | -59 | 0 | 0 | 0 | 106.2 | V908 V909 E910 S985 F986 M988 L995 I1003 F1005 | V908-I968 HydrophobicContact CG1-CG2 3.39Å; V909-I968 WeakPolarHBondContact O-CA 3.44Å; E910-I968 HydrophobicContact CB-CD1 4.34Å; E910-I968 HydrophobicContact CG-CD1 4.11Å; I968-S985 VanDerWaalsContact O-CA 3.25Å; I968-S985 WeakPolarHBondContact O-CA 3.45Å; I968-F986 HydrophobicContact CB-CD1 4.25Å; I968-F986 HydrophobicContact CB-CD2 4.38Å; I968-F986 HydrophobicContact CB-CE1 3.9Å; I968-F986 HydrophobicContact CB-CE2 4.04Å; I968-F986 HydrophobicContact CB-CG 4.48Å; I968-F986 HydrophobicContact CB-CZ 3.8Å; I968-F986 HydrophobicContact CG1-CE2 4.2Å; I968-F986 HydrophobicContact CG1-CZ 4.32Å; I968-F986 HydrophobicContact CG2-CD1 4.46Å; I968-F986 HydrophobicContact CG2-CE1 3.69Å; I968-F986 HydrophobicContact CG2-CE2 4.34Å; I968-F986 HydrophobicContact CG2-CZ 3.63Å; I968-F986 PolarHBondContact N-O 2.8Å; I968-F986 PolarHBondContact O-N 3.38Å; I968-M988 HydrophobicContact CD1-CB 3.99Å; I968-M988 HydrophobicContact CD1-CG 4.35Å; I968-M988 HydrophobicContact CD1-SD 4.04Å; I968-M988 HydrophobicContact CG1-CB 3.82Å; I968-M988 HydrophobicContact CG1-CG 4.45Å; I968-L995 HydrophobicContact CD1-CB 4.43Å; I968-I1003 HydrophobicContact CG2-CD1 4.25Å; I968-I1003 HydrophobicContact CG2-CG2 4.45Å; I968-F1005 HydrophobicContact CB-CZ 4.44Å; I968-F1005 HydrophobicContact CD1-CE1 3.66Å; I968-F1005 HydrophobicContact CD1-CZ 4.23Å; I968-F1005 HydrophobicContact CG1-CE1 3.67Å; I968-F1005 HydrophobicContact CG1-CZ 3.73Å; I968-F1005 HydrophobicContact CG2-CE1 4.49Å; I968-F1005 HydrophobicContact CG2-CZ 4.2Å |
| 969 | V | 79.2 | Confident | 60.4 | Low | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 108.5 | -175.7 | -172.4 | 0 | 0 | 0 | 0 | 107.6 | F851 I889 V908 V909 A911 L971 I982 | F851-V969 HydrophobicContact CE1-CG2 4.34Å; I889-V969 HydrophobicContact CD1-CG1 4Å; I889-V969 HydrophobicContact CD1-CG2 4.37Å; I889-V969 HydrophobicContact CG1-CG2 3.99Å; V908-V969 WeakPolarHBondContact CA-O 3.15Å; V909-V969 PolarHBondContact N-O 3.42Å; V909-V969 PolarHBondContact O-N 2.94Å; A911-V969 HydrophobicContact CB-CG2 4.36Å; V969-L971 HydrophobicContact CG1-CD2 3.68Å; V969-L971 HydrophobicContact CG1-CG 4.19Å; V969-I982 HydrophobicContact CG1-CG1 4.15Å; V969-I982 HydrophobicContact CG1-CG2 4.15Å |
| 970 | S | 81.4 | Confident | 62.3 | Low | 6 Ų | 6 | 70.9 Ų | 70.9 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 122.1 | 170.3 | 40 | 0 | 0 | 0 | 0 | 109 | I982 Q983 G984 | S970-I982 CarbonylContact O-C 3.41Å; S970-I982 WeakPolarHBondContact O-CA 3.4Å; S970-Q983 PolarHBondContact O-N 2.86Å; S970-Q983 PolarHBondContact OG-OE1 2.93Å; S970-G984 PolarHBondContact N-O 3.22Å; S970-G984 PolarHBondContact O-N 2.89Å; S970-G984 PolarHBondContact OG-N 3.32Å; S970-G984 PolarHBondContact OG-O 2.85Å; S970-G984 VanDerWaalsContact OG-O 3.08Å |
| 971 | L | 79.3 | Confident | 64.1 | Low | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 146.3 | -179.4 | -58.5 | 173.9 | 0 | 0 | 0 | 110.7 | M906 L907 V909 V969 V973 I981 I982 | M906-L971 WeakPolarHBondContact CA-O 3.5Å; L907-L971 HydrophobicContact CB-CB 4.38Å; L907-L971 HydrophobicContact CD2-CD1 4.38Å; L907-L971 PolarHBondContact N-O 3.28Å; L907-L971 WeakPolarHBondContact O-CA 3.45Å; L907-L971 WeakPolarHBondContact O-CB 3.25Å; L907-L971 PolarHBondContact O-N 2.9Å; V909-L971 HydrophobicContact CG2-CD1 3.72Å; V909-L971 HydrophobicContact CG2-CG 4.46Å; V969-L971 HydrophobicContact CG1-CD2 3.68Å; V969-L971 HydrophobicContact CG1-CG 4.19Å; L971-V973 HydrophobicContact CB-CG2 4.08Å; L971-I981 CarbonylContact C-O 3.55Å; L971-I981 WeakPolarHBondContact CA-O 3.06Å; L971-I981 WeakPolarHBondContact CB-O 3.05Å; L971-I981 WeakPolarHBondContact CD2-O 3.22Å; L971-I982 HydrophobicContact CD2-CB 4.36Å; L971-I982 HydrophobicContact CD2-CG1 3.53Å |
| 972 | F | 76.8 | Confident | 66 | Low | 9 Ų | 9 | 56.2 Ų | 56.2 | 4% | 0.039 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 122.4 | 156.1 | -62.4 | -63.8 | 0 | 0 | 0 | 109.5 | H491 R905 M906 I981 Q983 | H491-F972 HydrophobicContact CB-CD1 4.33Å; H491-F972 HydrophobicContact CB-CE1 3.99Å; H491-F972 HydrophobicContact CB-CE2 4.33Å; H491-F972 HydrophobicContact CB-CZ 4.02Å; H491-F972 VanDerWaalsContact N-CE2 3.25Å; H491-F972 WeakPolarHBondContact O-CZ 3.22Å; R905-F972 HydrophobicContact CB-CD1 4.08Å; R905-F972 CarbonylContact O-C 3.36Å; R905-F972 VanDerWaalsContact O-CA 3.29Å; R905-F972 WeakPolarHBondContact O-CA 3.11Å; M906-F972 HydrophobicContact CB-CD1 4.08Å; M906-F972 HydrophobicContact CB-CE1 3.85Å; M906-F972 HydrophobicContact CG-CD1 4.09Å; M906-F972 HydrophobicContact CG-CE1 3.59Å; M906-F972 HydrophobicContact CG-CZ 4.35Å; F972-I981 HydrophobicContact CB-CB 4.19Å; F972-I981 PolarHBondContact N-O 2.8Å; F972-I981 PolarHBondContact O-N 3.48Å; F972-Q983 HydrophobicContact CD2-CB 3.95Å; F972-Q983 HydrophobicContact CE2-CB 3.34Å; F972-Q983 HydrophobicContact CE2-CG 3.53Å; F972-Q983 HydrophobicContact CZ-CB 3.75Å; F972-Q983 HydrophobicContact CZ-CG 3.63Å |
| 973 | V | 75.4 | Confident | 67.9 | Low | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | trans | -116 | 130.3 | -176 | -178 | 0 | 0 | 0 | 0 | 109.5 | I838 W899 R905 L907 L971 T980 | I838-V973 HydrophobicContact CD1-CG1 4.06Å; W899-V973 HydrophobicContact CH2-CB 3.51Å; W899-V973 HydrophobicContact CH2-CG1 3.52Å; W899-V973 HydrophobicContact CH2-CG2 4.2Å; W899-V973 HydrophobicContact CZ2-CG1 4.3Å; W899-V973 HydrophobicContact CZ3-CB 3.75Å; W899-V973 HydrophobicContact CZ3-CG1 4.26Å; W899-V973 HydrophobicContact CZ3-CG2 4.41Å; R905-V973 PolarHBondContact O-N 2.81Å; L907-V973 HydrophobicContact CB-CG2 3.99Å; L907-V973 HydrophobicContact CD2-CG2 3.77Å; L971-V973 HydrophobicContact CB-CG2 4.08Å; V973-T980 HydrophobicContact CB-CG2 4.32Å; V973-T980 HydrophobicContact CG1-CG2 4.01Å; V973-T980 HydrophobicContact CG2-CG2 3.81Å | ||
| 974 | S | 68.3 | Low | 69 | Low | 33 Ų | 33 | 45.8 Ų | 45.8 | 23% | 0.231 | 25% | 0.25 | C | C | . | . | trans | -124.3 | 142 | 177.5 | 53.8 | 0 | 0 | 0 | 0 | 110.2 | D976 | S974-D976 PolarHBondContact O-N 3.35Š| ||
| 975 | P | 61.6 | Low | 70 | Confident | 35 Ų | 35 | 42.1 Ų | 42.1 | 23% | 0.227 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -28.9 | 176.6 | 25.3 | -30.6 | 0 | 0 | 0 | 113.2 | K847 | K847-P975 PolarHBondContact NZ-O 3.34Š|
| 976 | D | 61.3 | Low | 70.5 | Confident | 133 Ų | 133 | 43.1 Ų | 43.1 | 71% | 0.711 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -14.8 | -163.9 | -33.4 | -76.6 | 0 | 0 | 0 | 114.2 | S974 | S974-D976 PolarHBondContact O-N 3.35Š|
| 977 | R | 58.2 | Low | 70.4 | Confident | 129 Ų | 129 | 45.2 Ų | 45.2 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | trans | -102.4 | 143.3 | 178.1 | -67.3 | -172 | 172.7 | -172.4 | 2.4 | 111.6 | K847 D979 | K847-R977 WeakPolarHBondContact CE-O 3.06Å; K847-R977 PolarHBondContact NZ-O 2.79Å; R977-D979 VanDerWaalsContact C-N 3.25Å; R977-D979 PolarHBondContact O-N 3.27Å | ||
| 978 | N | 51.7 | Low | 70.1 | Confident | 118 Ų | 118 | 46 Ų | 46 | 63% | 0.631 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -66.2 | -28.4 | 174.6 | -76.4 | -12.5 | 0 | 0 | 0 | 112.9 | ||
| 979 | D | 56.4 | Low | 69.3 | Low | 128 Ų | 128 | 48 Ų | 48 | 68% | 0.684 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -108.7 | 155.2 | -175.6 | -49.3 | -61.8 | 0 | 0 | 0 | 112.4 | R977 | R977-D979 VanDerWaalsContact C-N 3.25Å; R977-D979 PolarHBondContact O-N 3.27Å |
| 980 | T | 66.6 | Low | 68.7 | Low | 25 Ų | 25 | 54.7 Ų | 54.7 | 15% | 0.153 | 28% | 0.284 | C | S | . | . | trans | -103.3 | 141.1 | 174.4 | 55.6 | 0 | 0 | 0 | 0 | 111 | I838 F849 V973 | I838-T980 HydrophobicContact CD1-CG2 3.7Å; F849-T980 VanDerWaalsContact CD2-OG1 3.31Å; F849-T980 WeakPolarHBondContact CD2-OG1 3.19Å; V973-T980 HydrophobicContact CB-CG2 4.32Å; V973-T980 HydrophobicContact CG1-CG2 4.01Å; V973-T980 HydrophobicContact CG2-CG2 3.81Å | ||
| 981 | I | 66.1 | Low | 68.1 | Low | 39 Ų | 39 | 56.1 Ų | 56.1 | 20% | 0.2 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 149.4 | -177.3 | -58.7 | 167 | 0 | 0 | 0 | 108.6 | Q489 L971 F972 | Q489-I981 HydrophobicContact CB-CG2 4.13Å; L971-I981 CarbonylContact C-O 3.55Å; L971-I981 WeakPolarHBondContact CA-O 3.06Å; L971-I981 WeakPolarHBondContact CB-O 3.05Å; L971-I981 WeakPolarHBondContact CD2-O 3.22Å; F972-I981 HydrophobicContact CB-CB 4.19Å; F972-I981 PolarHBondContact N-O 2.8Å; F972-I981 PolarHBondContact O-N 3.48Å |
| 982 | I | 68.2 | Low | 67.9 | Low | 66 Ų | 66 | 56.8 Ų | 56.8 | 34% | 0.338 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.5 | 173.2 | -63.2 | 150.8 | 0 | 0 | 0 | 109 | I889 V969 S970 L971 G984 | I889-I982 HydrophobicContact CD1-CD1 3.44Å; I889-I982 VanDerWaalsContact CD1-CD1 3.44Å; I889-I982 HydrophobicContact CD1-CG1 4.24Å; V969-I982 HydrophobicContact CG1-CG1 4.15Å; V969-I982 HydrophobicContact CG1-CG2 4.15Å; S970-I982 CarbonylContact O-C 3.41Å; S970-I982 WeakPolarHBondContact O-CA 3.4Å; L971-I982 HydrophobicContact CD2-CB 4.36Å; L971-I982 HydrophobicContact CD2-CG1 3.53Å; I982-G984 WeakPolarHBondContact CG2-O 3.44Å |
| 983 | Q | 69.9 | Low | 67.6 | Low | 49 Ų | 49 | 58.9 Ų | 58.9 | 23% | 0.229 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | -39 | 168.5 | -178.8 | -173.7 | 30.2 | 0 | 0 | 110.9 | S970 F972 | S970-Q983 PolarHBondContact O-N 2.86Å; S970-Q983 PolarHBondContact OG-OE1 2.93Å; F972-Q983 HydrophobicContact CD2-CB 3.95Å; F972-Q983 HydrophobicContact CE2-CB 3.34Å; F972-Q983 HydrophobicContact CE2-CG 3.53Å; F972-Q983 HydrophobicContact CZ-CB 3.75Å; F972-Q983 HydrophobicContact CZ-CG 3.63Å |
| 984 | G | 68.3 | Low | 67.6 | Low | 17 Ų | 17 | 59.4 Ų | 59.4 | 18% | 0.175 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.8 | 167.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S970 I982 | S970-G984 PolarHBondContact N-O 3.22Å; S970-G984 PolarHBondContact O-N 2.89Å; S970-G984 PolarHBondContact OG-N 3.32Å; S970-G984 PolarHBondContact OG-O 2.85Å; S970-G984 VanDerWaalsContact OG-O 3.08Å; I982-G984 WeakPolarHBondContact CG2-O 3.44Å |
| 985 | S | 72.2 | Confident | 68.1 | Low | 19 Ų | 19 | 58 Ų | 58 | 13% | 0.133 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 145.2 | 172.2 | 61.2 | 0 | 0 | 0 | 0 | 111.6 | L888 I968 | L888-S985 WeakPolarHBondContact CD1-O 3.34Å; I968-S985 VanDerWaalsContact O-CA 3.25Å; I968-S985 WeakPolarHBondContact O-CA 3.45Å |
| 986 | F | 73.7 | Confident | 68.9 | Low | 68 Ų | 68 | 59.6 Ų | 59.6 | 30% | 0.298 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 168.1 | 177.9 | 60.6 | -80.2 | 0 | 0 | 0 | 110.9 | S967 I968 I1003 F1005 | S967-F986 CarbonylContact C-O 2.94Å; S967-F986 WeakPolarHBondContact CA-O 3.43Å; S967-F986 PolarHBondContact OG-O 3.14Å; I968-F986 HydrophobicContact CB-CD1 4.25Å; I968-F986 HydrophobicContact CB-CD2 4.38Å; I968-F986 HydrophobicContact CB-CE1 3.9Å; I968-F986 HydrophobicContact CB-CE2 4.04Å; I968-F986 HydrophobicContact CB-CG 4.48Å; I968-F986 HydrophobicContact CB-CZ 3.8Å; I968-F986 HydrophobicContact CG1-CE2 4.2Å; I968-F986 HydrophobicContact CG1-CZ 4.32Å; I968-F986 HydrophobicContact CG2-CD1 4.46Å; I968-F986 HydrophobicContact CG2-CE1 3.69Å; I968-F986 HydrophobicContact CG2-CE2 4.34Å; I968-F986 HydrophobicContact CG2-CZ 3.63Å; I968-F986 PolarHBondContact N-O 2.8Å; I968-F986 PolarHBondContact O-N 3.38Å; F986-I1003 HydrophobicContact CE1-CD1 3.57Å; F986-I1003 HydrophobicContact CZ-CD1 3.61Å; F986-F1005 AromaticContact CE2-CE2 3.9Å; F986-F1005 HydrophobicContact CE2-CE2 3.9Å; F986-F1005 AromaticContact CE2-CZ 3.69Å; F986-F1005 HydrophobicContact CE2-CZ 3.69Å; F986-F1005 HydrophobicContact CZ-CE2 4.08Å; F986-F1005 AromaticContact CZ-CZ 3.74Å; F986-F1005 HydrophobicContact CZ-CZ 3.74Å |
| 987 | L | 76.9 | Confident | 69.4 | Low | 67 Ų | 67 | 54 Ų | 54 | 35% | 0.351 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 134.5 | 171.5 | -70.8 | -178.6 | 0 | 0 | 0 | 110.6 | L888 S965 S989 | L888-L987 HydrophobicContact CD2-CD1 4.48Å; L888-L987 HydrophobicContact CD2-CD2 3.26Å; L888-L987 HydrophobicContact CD2-CG 3.48Å; L888-L987 VanDerWaalsContact CD2-CG 3.48Å; S965-L987 WeakPolarHBondContact OG-CD1 3.45Å; S965-L987 VanDerWaalsContact OG-CD2 3.3Å; S965-L987 WeakPolarHBondContact OG-CD2 3.26Å; L987-S989 PolarHBondContact O-N 3.24Å |
| 988 | M | 75.2 | Confident | 70.3 | Confident | 18 Ų | 18 | 48.4 Ų | 48.4 | 9% | 0.089 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 126.8 | 163.2 | -172 | 162.5 | 83 | 0 | 0 | 108.3 | T966 I968 H992 F1005 | T966-M988 HydrophobicContact CG2-CB 4.3Å; T966-M988 HydrophobicContact CG2-CE 3.97Å; T966-M988 HydrophobicContact CG2-SD 4.43Å; T966-M988 WeakPolarHBondContact O-CB 3Å; T966-M988 PolarHBondContact O-N 2.94Å; I968-M988 HydrophobicContact CD1-CB 3.99Å; I968-M988 HydrophobicContact CD1-CG 4.35Å; I968-M988 HydrophobicContact CD1-SD 4.04Å; I968-M988 HydrophobicContact CG1-CB 3.82Å; I968-M988 HydrophobicContact CG1-CG 4.45Å; M988-H992 HydrophobicContact CG-CB 3.43Å; M988-H992 VanDerWaalsContact CG-CB 3.43Å; M988-H992 HydrophobicContact SD-CB 4.02Å; M988-F1005 HydrophobicContact CG-CD1 4.25Å; M988-F1005 HydrophobicContact CG-CE1 4.21Å; M988-F1005 HydrophobicContact SD-CD1 4.03Å; M988-F1005 HydrophobicContact SD-CE1 4.16Å |
| 989 | S | 67.9 | Low | 71.2 | Confident | 40 Ų | 40 | 45.2 Ų | 45.2 | 28% | 0.28 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -63 | 153.2 | -177.4 | -176.1 | 0 | 0 | 0 | 0 | 111 | L987 H991 H992 | L987-S989 PolarHBondContact O-N 3.24Å; S989-H991 PolarHBondContact O-N 3.27Å; S989-H991 VanDerWaalsContact O-N 3.15Å; S989-H991 PolarHBondContact OG-CD2 2.97Å; S989-H992 WeakPolarHBondContact CB-ND1 3.41Å; S989-H992 PolarHBondContact N-ND1 3.37Å; S989-H992 VanDerWaalsContact N-ND1 3.17Å; S989-H992 WeakPolarHBondContact O-CB 3.4Å; S989-H992 PolarHBondContact O-N 2.76Å |
| 990 | F | 67.9 | Low | 71.7 | Confident | 142 Ų | 142 | 39.5 Ų | 39.5 | 62% | 0.623 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -15.4 | 176.8 | 70.4 | -80.8 | 0 | 0 | 0 | 113.4 | I1011 | F990-I1011 HydrophobicContact CD2-CD1 3.78Å; F990-I1011 HydrophobicContact CE2-CD1 4.13Å; F990-I1011 HydrophobicContact CE2-CG2 4.11Å |
| 991 | H | 68.8 | Low | 71.6 | Confident | 35 Ų | 35 | 38.5 Ų | 38.5 | 16% | 0.162 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -23.9 | 167.7 | -51.7 | -50.1 | 0 | 0 | 0 | 113.3 | S989 V1007 R1008 I1011 I1015 | S989-H991 PolarHBondContact O-N 3.27Å; S989-H991 VanDerWaalsContact O-N 3.15Å; S989-H991 PolarHBondContact OG-CD2 2.97Å; H991-V1007 CarbonylContact O-C 3.47Å; H991-V1007 WeakPolarHBondContact O-CA 3.15Å; H991-R1008 VanDerWaalsContact O-CB 3.27Å; H991-R1008 WeakPolarHBondContact O-CB 3.14Å; H991-R1008 WeakPolarHBondContact O-CG 3.39Å; H991-R1008 PolarHBondContact O-N 3.47Å; H991-I1011 VanDerWaalsContact ND1-CG2 3.34Å; H991-I1011 WeakPolarHBondContact ND1-CG2 3.43Å; H991-I1015 WeakPolarHBondContact CE1-CD1 3.41Å; H991-I1015 WeakPolarHBondContact NE2-CD1 3.44Å |
| 992 | H | 73.6 | Confident | 71.9 | Confident | 16 Ų | 16 | 37 Ų | 37 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 146.5 | 179.2 | -54.5 | 148 | 0 | 0 | 0 | 110.3 | M988 S989 F1005 S1006 D1099 C1101 | M988-H992 HydrophobicContact CG-CB 3.43Å; M988-H992 VanDerWaalsContact CG-CB 3.43Å; M988-H992 HydrophobicContact SD-CB 4.02Å; S989-H992 WeakPolarHBondContact CB-ND1 3.41Å; S989-H992 PolarHBondContact N-ND1 3.37Å; S989-H992 VanDerWaalsContact N-ND1 3.17Å; S989-H992 WeakPolarHBondContact O-CB 3.4Å; S989-H992 PolarHBondContact O-N 2.76Å; H992-F1005 HydrophobicContact CB-CB 3.99Å; H992-F1005 HydrophobicContact CB-CD1 4.36Å; H992-F1005 HydrophobicContact CB-CG 4.18Å; H992-F1005 AromaticContact CE1-CD2 3.54Å; H992-F1005 AromaticContact CG-CG 3.74Å; H992-F1005 AromaticContact ND1-CD2 3.59Å; H992-F1005 AromaticContact ND1-CG 3.7Å; H992-S1006 CarbonylContact C-O 3.55Å; H992-S1006 VanDerWaalsContact CA-O 3.23Å; H992-S1006 WeakPolarHBondContact CA-O 3.41Å; H992-D1099 IonicContact CD2-OD2 2.7Å; H992-D1099 PolarHBondContact CD2-OD2 3.01Å; H992-D1099 IonicContact NE2-OD2 3.67Å; H992-D1099 PolarHBondContact NE2-OD2 3.45Å; H992-C1101 PolarHBondContact CE1-SG 3.48Å |
| 993 | S | 71.6 | Confident | 72.3 | Confident | 53 Ų | 53 | 34 Ų | 34 | 37% | 0.371 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -29.5 | 179.5 | 37 | 0 | 0 | 0 | 0 | 114.7 | S1006 | S993-S1006 PolarHBondContact N-O 2.89Å; S993-S1006 VanDerWaalsContact OG-CB 3.31Å; S993-S1006 WeakPolarHBondContact OG-CB 3.38Å; S993-S1006 PolarHBondContact OG-O 3.22Å; S993-S1006 VanDerWaalsContact OG-O 3.1Å; S993-S1006 PolarHBondContact OG-OG 3.13Å |
| 994 | A | 75.2 | Confident | 72.7 | Confident | 18 Ų | 18 | 33.7 Ų | 33.7 | 15% | 0.149 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170 | 154.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | E910 S1006 | E910-A994 WeakPolarHBondContact OE2-CA 2.82Å; A994-S1006 PolarHBondContact N-OG 2.72Å; A994-S1006 PolarHBondContact O-N 3.33Å; A994-S1006 PolarHBondContact O-OG 3.01Å |
| 995 | L | 79.9 | Confident | 73 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 130.5 | 164.3 | 177.8 | 65.3 | 0 | 0 | 0 | 109.7 | Y898 V908 E910 I968 I1003 F1005 | Y898-L995 HydrophobicContact CD2-CD2 3.66Å; Y898-L995 HydrophobicContact CD2-CG 3.81Å; Y898-L995 HydrophobicContact CE2-CB 4.45Å; Y898-L995 HydrophobicContact CE2-CD2 4.17Å; Y898-L995 HydrophobicContact CE2-CG 4Å; V908-L995 HydrophobicContact CB-CD2 4.12Å; V908-L995 HydrophobicContact CG1-CD1 4.11Å; V908-L995 HydrophobicContact CG1-CD2 3.54Å; V908-L995 HydrophobicContact CG1-CG 4.5Å; E910-L995 HydrophobicContact CB-CB 4.02Å; E910-L995 HydrophobicContact CB-CD2 4.16Å; E910-L995 HydrophobicContact CG-CB 4.38Å; E910-L995 PolarHBondContact OE2-N 3.45Å; I968-L995 HydrophobicContact CD1-CB 4.43Å; L995-I1003 HydrophobicContact CD1-CG2 3.41Å; L995-I1003 VanDerWaalsContact CD1-CG2 3.41Å; L995-F1005 HydrophobicContact CD1-CE1 4.11Å |
| 996 | I | 76.5 | Confident | 73.1 | Confident | 70 Ų | 70 | 32.8 Ų | 32.8 | 36% | 0.359 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -37.8 | 177.4 | -57.5 | 177.8 | 0 | 0 | 0 | 110.8 | Y898 Y1004 I1098 | Y898-I996 VanDerWaalsContact CE1-O 3.22Å; Y898-I996 WeakPolarHBondContact CE1-O 3.3Å; I996-Y1004 WeakPolarHBondContact CB-O 3.28Å; I996-Y1004 PolarHBondContact N-O 2.98Å; I996-I1098 HydrophobicContact CD1-CB 4.47Å; I996-I1098 HydrophobicContact CD1-CD1 4.07Å; I996-I1098 HydrophobicContact CD1-CG1 3.75Å; I996-I1098 HydrophobicContact CD1-CG2 4.11Å |
| 997 | G | 72.9 | Confident | 72.7 | Confident | 14 Ų | 14 | 29.9 Ų | 29.9 | 14% | 0.144 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.1 | -171.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y1004 | G997-Y1004 PolarHBondContact O-N 3.18Å |
| 998 | V | 77.7 | Confident | 71.9 | Confident | 13 Ų | 13 | 29.3 Ų | 29.3 | 8% | 0.079 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 140.7 | -176 | -165.9 | 0 | 0 | 0 | 0 | 108.8 | M906 V908 V1000 I1003 M1103 | M906-V998 HydrophobicContact CE-CB 3.95Å; M906-V998 HydrophobicContact CE-CG1 3.75Å; M906-V998 HydrophobicContact CE-CG2 4.03Å; V908-V998 HydrophobicContact CB-CG2 3.69Å; V908-V998 HydrophobicContact CG2-CG1 4.42Å; V908-V998 HydrophobicContact CG2-CG2 3.49Å; V908-V998 VanDerWaalsContact CG2-CG2 3.49Å; V998-V1000 HydrophobicContact CG1-CG2 4.1Å; V998-I1003 HydrophobicContact CG1-CG1 4.03Å; V998-M1103 HydrophobicContact CG1-SD 4.3Å |
| 999 | E | 70.1 | Confident | 71.2 | Confident | 50 Ų | 50 | 36.1 Ų | 36.1 | 23% | 0.234 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 98 | 164.3 | 160.2 | -161 | -120.9 | 0 | 0 | 104.4 | Y902 F1002 Y1004 | Y902-E999 HydrophobicContact CE2-CG 4.4Å; E999-F1002 CarbonylContact C-O 3.58Å; E999-F1002 PolarHBondContact N-O 2.93Å; E999-F1002 CarbonylContact O-C 3.58Å; E999-F1002 WeakPolarHBondContact O-CA 3.4Å; E999-F1002 PolarHBondContact O-N 2.94Å; E999-Y1004 HydrophobicContact CB-CE2 3.84Å; E999-Y1004 PolarHBondContact OE2-OH 3.16Å |
| 1000 | V | 65.8 | Low | 70.7 | Confident | 9 Ų | 9 | 37 Ų | 37 | 6% | 0.055 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 135.9 | -172.9 | -172.4 | 0 | 0 | 0 | 0 | 108.2 | F492 V998 F1002 M1103 F1106 L1121 | F492-V1000 HydrophobicContact CD1-CB 3.67Å; F492-V1000 HydrophobicContact CD1-CG1 4.06Å; F492-V1000 HydrophobicContact CD1-CG2 3.78Å; F492-V1000 HydrophobicContact CD2-CB 4.37Å; F492-V1000 HydrophobicContact CD2-CG2 3.55Å; F492-V1000 HydrophobicContact CE1-CB 3.4Å; F492-V1000 VanDerWaalsContact CE1-CB 3.4Å; F492-V1000 HydrophobicContact CE1-CG1 4.28Å; F492-V1000 HydrophobicContact CE1-CG2 3.57Å; F492-V1000 HydrophobicContact CE2-CB 4.11Å; F492-V1000 HydrophobicContact CE2-CG2 3.26Å; F492-V1000 HydrophobicContact CG-CB 4.2Å; F492-V1000 HydrophobicContact CG-CG1 4.47Å; F492-V1000 HydrophobicContact CG-CG2 3.82Å; F492-V1000 HydrophobicContact CZ-CB 3.65Å; F492-V1000 HydrophobicContact CZ-CG2 3.31Å; V998-V1000 HydrophobicContact CG1-CG2 4.1Å; V1000-F1002 VanDerWaalsContact CA-N 3.34Å; V1000-M1103 HydrophobicContact CB-SD 4.05Å; V1000-M1103 HydrophobicContact CG1-CE 4.39Å; V1000-M1103 HydrophobicContact CG1-SD 3.84Å; V1000-M1103 HydrophobicContact CG2-CE 4Å; V1000-M1103 HydrophobicContact CG2-SD 3.67Å; V1000-F1106 HydrophobicContact CG1-CE2 4.07Å; V1000-F1106 HydrophobicContact CG1-CZ 4.35Å; V1000-L1121 HydrophobicContact CB-CD1 4.25Å; V1000-L1121 HydrophobicContact CB-CD2 4.23Å; V1000-L1121 HydrophobicContact CG1-CD1 4.01Å; V1000-L1121 HydrophobicContact CG1-CD2 3.41Å; V1000-L1121 VanDerWaalsContact CG1-CD2 3.41Å; V1000-L1121 HydrophobicContact CG1-CG 4.03Å; V1000-L1121 VanDerWaalsContact O-CD1 3.26Å; V1000-L1121 WeakPolarHBondContact O-CD1 3.05Å |
| 1001 | P | 65.5 | Low | 70.3 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -88.4 | 19.6 | 15.6 | 34.3 | -32.3 | 0 | 0 | 0 | 116.2 | M1103 F1106 R1117 L1121 | P1001-M1103 WeakPolarHBondContact O-CB 3.2Å; P1001-M1103 WeakPolarHBondContact O-CG 3.31Å; P1001-M1103 PolarHBondContact O-N 2.99Å; P1001-F1106 HydrophobicContact CB-CB 3.8Å; P1001-F1106 HydrophobicContact CB-CD1 3.23Å; P1001-F1106 HydrophobicContact CB-CD2 3.49Å; P1001-F1106 VanDerWaalsContact CB-CD2 3.49Å; P1001-F1106 HydrophobicContact CB-CE1 3.65Å; P1001-F1106 HydrophobicContact CB-CE2 3.93Å; P1001-F1106 HydrophobicContact CB-CG 3.17Å; P1001-F1106 HydrophobicContact CB-CZ 4.03Å; P1001-F1106 HydrophobicContact CG-CD1 3.96Å; P1001-F1106 HydrophobicContact CG-CE1 4.39Å; P1001-F1106 HydrophobicContact CG-CG 4.25Å; P1001-R1117 HydrophobicContact CG-CG 3.89Å; P1001-L1121 HydrophobicContact CB-CD1 4.49Å; P1001-L1121 HydrophobicContact CG-CD1 4.46Å |
| 1002 | F | 73.1 | Confident | 69.7 | Low | 9 Ų | 9 | 32.2 Ų | 32.2 | 4% | 0.039 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.3 | -174.6 | -48.2 | -63.7 | 0 | 0 | 0 | 113.2 | E999 V1000 Y1004 R1100 C1101 V1102 | E999-F1002 CarbonylContact C-O 3.58Å; E999-F1002 PolarHBondContact N-O 2.93Å; E999-F1002 CarbonylContact O-C 3.58Å; E999-F1002 WeakPolarHBondContact O-CA 3.4Å; E999-F1002 PolarHBondContact O-N 2.94Å; V1000-F1002 VanDerWaalsContact CA-N 3.34Å; F1002-Y1004 HydrophobicContact CB-CD2 4.29Å; F1002-Y1004 HydrophobicContact CB-CE2 3.68Å; F1002-R1100 HydrophobicContact CB-CG 3.72Å; F1002-R1100 HydrophobicContact CD1-CG 3.51Å; F1002-R1100 HydrophobicContact CD2-CG 4.13Å; F1002-R1100 HydrophobicContact CE1-CG 4.21Å; F1002-R1100 VanDerWaalsContact CE1-NE 3.34Å; F1002-R1100 VanDerWaalsContact CE2-NE 3.26Å; F1002-R1100 HydrophobicContact CG-CG 3.48Å; F1002-R1100 VanDerWaalsContact CG-CG 3.48Å; F1002-R1100 VanDerWaalsContact CZ-CZ 3.49Å; F1002-C1101 WeakPolarHBondContact CA-O 3.2Å; F1002-V1102 HydrophobicContact CD1-CG2 4.19Å; F1002-V1102 HydrophobicContact CE1-CG1 4.48Å; F1002-V1102 HydrophobicContact CE1-CG2 4.02Å |
| 1003 | I | 74.6 | Confident | 68.8 | Low | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 127.2 | 162.7 | -66.6 | 165.2 | 0 | 0 | 0 | 107.1 | V908 I968 F986 L995 V998 F1005 C1101 M1103 | V908-I1003 HydrophobicContact CG2-CD1 4.37Å; I968-I1003 HydrophobicContact CG2-CD1 4.25Å; I968-I1003 HydrophobicContact CG2-CG2 4.45Å; F986-I1003 HydrophobicContact CE1-CD1 3.57Å; F986-I1003 HydrophobicContact CZ-CD1 3.61Å; L995-I1003 HydrophobicContact CD1-CG2 3.41Å; L995-I1003 VanDerWaalsContact CD1-CG2 3.41Å; V998-I1003 HydrophobicContact CG1-CG1 4.03Å; I1003-F1005 HydrophobicContact CB-CE2 4.15Å; I1003-F1005 HydrophobicContact CB-CZ 4.19Å; I1003-F1005 HydrophobicContact CG2-CD1 4.5Å; I1003-F1005 HydrophobicContact CG2-CD2 4.4Å; I1003-F1005 HydrophobicContact CG2-CE1 3.79Å; I1003-F1005 HydrophobicContact CG2-CE2 3.71Å; I1003-F1005 HydrophobicContact CG2-CZ 3.34Å; I1003-C1101 PolarHBondContact N-O 3.35Å; I1003-C1101 PolarHBondContact O-N 2.97Å; I1003-C1101 VanDerWaalsContact O-N 3.13Å; I1003-M1103 HydrophobicContact CD1-CE 4.16Å; I1003-M1103 HydrophobicContact CD1-CG 3.72Å; I1003-M1103 HydrophobicContact CD1-SD 4.1Å; I1003-M1103 HydrophobicContact CG1-CE 4.38Å; I1003-M1103 HydrophobicContact CG1-CG 3.69Å; I1003-M1103 HydrophobicContact CG1-SD 3.78Å |
| 1004 | Y | 78.5 | Confident | 68 | Low | 43 Ų | 43 | 43.1 Ų | 43.1 | 17% | 0.169 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.5 | -172.7 | -71.1 | -93.8 | 0 | 0 | 0 | 110.1 | I996 G997 E999 F1002 I1098 R1100 | I996-Y1004 WeakPolarHBondContact CB-O 3.28Å; I996-Y1004 PolarHBondContact N-O 2.98Å; G997-Y1004 PolarHBondContact O-N 3.18Å; E999-Y1004 HydrophobicContact CB-CE2 3.84Å; E999-Y1004 PolarHBondContact OE2-OH 3.16Å; F1002-Y1004 HydrophobicContact CB-CD2 4.29Å; F1002-Y1004 HydrophobicContact CB-CE2 3.68Å; Y1004-I1098 HydrophobicContact CD1-CG2 3.78Å; Y1004-R1100 HydrophobicContact CE1-CG 4.32Å |
| 1005 | F | 76.1 | Confident | 67.1 | Low | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 148.3 | 178.3 | -65 | -65 | 0 | 0 | 0 | 111.4 | I968 F986 M988 H992 L995 I1003 I1098 D1099 C1101 | I968-F1005 HydrophobicContact CB-CZ 4.44Å; I968-F1005 HydrophobicContact CD1-CE1 3.66Å; I968-F1005 HydrophobicContact CD1-CZ 4.23Å; I968-F1005 HydrophobicContact CG1-CE1 3.67Å; I968-F1005 HydrophobicContact CG1-CZ 3.73Å; I968-F1005 HydrophobicContact CG2-CE1 4.49Å; I968-F1005 HydrophobicContact CG2-CZ 4.2Å; F986-F1005 AromaticContact CE2-CE2 3.9Å; F986-F1005 HydrophobicContact CE2-CE2 3.9Å; F986-F1005 AromaticContact CE2-CZ 3.69Å; F986-F1005 HydrophobicContact CE2-CZ 3.69Å; F986-F1005 HydrophobicContact CZ-CE2 4.08Å; F986-F1005 AromaticContact CZ-CZ 3.74Å; F986-F1005 HydrophobicContact CZ-CZ 3.74Å; M988-F1005 HydrophobicContact CG-CD1 4.25Å; M988-F1005 HydrophobicContact CG-CE1 4.21Å; M988-F1005 HydrophobicContact SD-CD1 4.03Å; M988-F1005 HydrophobicContact SD-CE1 4.16Å; H992-F1005 HydrophobicContact CB-CB 3.99Å; H992-F1005 HydrophobicContact CB-CD1 4.36Å; H992-F1005 HydrophobicContact CB-CG 4.18Å; H992-F1005 AromaticContact CE1-CD2 3.54Å; H992-F1005 AromaticContact CG-CG 3.74Å; H992-F1005 AromaticContact ND1-CD2 3.59Å; H992-F1005 AromaticContact ND1-CG 3.7Å; L995-F1005 HydrophobicContact CD1-CE1 4.11Å; I1003-F1005 HydrophobicContact CB-CE2 4.15Å; I1003-F1005 HydrophobicContact CB-CZ 4.19Å; I1003-F1005 HydrophobicContact CG2-CD1 4.5Å; I1003-F1005 HydrophobicContact CG2-CD2 4.4Å; I1003-F1005 HydrophobicContact CG2-CE1 3.79Å; I1003-F1005 HydrophobicContact CG2-CE2 3.71Å; I1003-F1005 HydrophobicContact CG2-CZ 3.34Å; F1005-I1098 CarbonylContact O-C 3.51Å; F1005-I1098 VanDerWaalsContact O-CA 3.22Å; F1005-I1098 WeakPolarHBondContact O-CA 3.37Å; F1005-D1099 HydrophobicContact CB-CB 3.97Å; F1005-D1099 PolarHBondContact N-O 3.08Å; F1005-D1099 PolarHBondContact O-N 2.6Å; F1005-C1101 HydrophobicContact CD2-CB 3.74Å; F1005-C1101 HydrophobicContact CE2-CB 3.58Å |
| 1006 | S | 72.7 | Confident | 65.9 | Low | 18 Ų | 18 | 49.4 Ų | 49.4 | 13% | 0.126 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 134.8 | 163.3 | 49.3 | 0 | 0 | 0 | 0 | 109.3 | H992 S993 A994 | H992-S1006 CarbonylContact C-O 3.55Å; H992-S1006 VanDerWaalsContact CA-O 3.23Å; H992-S1006 WeakPolarHBondContact CA-O 3.41Å; S993-S1006 PolarHBondContact N-O 2.89Å; S993-S1006 VanDerWaalsContact OG-CB 3.31Å; S993-S1006 WeakPolarHBondContact OG-CB 3.38Å; S993-S1006 PolarHBondContact OG-O 3.22Å; S993-S1006 VanDerWaalsContact OG-O 3.1Å; S993-S1006 PolarHBondContact OG-OG 3.13Å; A994-S1006 PolarHBondContact N-OG 2.72Å; A994-S1006 PolarHBondContact O-N 3.33Å; A994-S1006 PolarHBondContact O-OG 3.01Å |
| 1007 | V | 66.2 | Low | 65.1 | Low | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 143.1 | -179.3 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | H991 W1009 N1012 Y1097 D1099 | H991-V1007 CarbonylContact O-C 3.47Å; H991-V1007 WeakPolarHBondContact O-CA 3.15Å; V1007-W1009 PolarHBondContact O-N 2.81Å; V1007-N1012 HydrophobicContact CG1-CB 4.29Å; V1007-Y1097 WeakPolarHBondContact CB-O 3.44Å; V1007-Y1097 PolarHBondContact N-O 3.01Å; V1007-D1099 HydrophobicContact CG2-CB 3.45Å; V1007-D1099 VanDerWaalsContact CG2-CB 3.45Å |
| 1008 | R | 60.8 | Low | 64.3 | Low | 54 Ų | 54 | 56.7 Ų | 56.7 | 20% | 0.204 | 27% | 0.265 | C | S | . | . | trans | -80.5 | 105.3 | 174.1 | -70.7 | -170.8 | 60.1 | -167.3 | -5.9 | 111.5 | H991 D1010 I1011 | H991-R1008 VanDerWaalsContact O-CB 3.27Å; H991-R1008 WeakPolarHBondContact O-CB 3.14Å; H991-R1008 WeakPolarHBondContact O-CG 3.39Å; H991-R1008 PolarHBondContact O-N 3.47Å; R1008-D1010 WeakPolarHBondContact CB-OD1 3.32Å; R1008-D1010 IonicContact CZ-OD1 3.68Å; R1008-D1010 IonicContact CZ-OD2 2.73Å; R1008-D1010 IonicContact NE-OD1 3.64Å; R1008-D1010 PolarHBondContact NE-OD1 3.01Å; R1008-D1010 IonicContact NE-OD2 2.74Å; R1008-D1010 IonicContact NH2-OD1 2.63Å; R1008-D1010 PolarHBondContact NH2-OD1 3.33Å; R1008-D1010 IonicContact NH2-OD2 3.34Å; R1008-D1010 PolarHBondContact NH2-OD2 2.81Å; R1008-D1010 PolarHBondContact O-N 2.82Å; R1008-D1010 VanDerWaalsContact O-N 3.07Å; R1008-I1011 HydrophobicContact CB-CG1 4.5Å; R1008-I1011 PolarHBondContact O-N 2.82Å | ||
| 1009 | W | 59 | Low | 63.1 | Low | 161 Ų | 161 | 60.6 Ų | 60.6 | 61% | 0.61 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -52.6 | -29.3 | 179.3 | 82.4 | -77.8 | 0 | 0 | 0 | 113.8 | V1007 I1011 | V1007-W1009 PolarHBondContact O-N 2.81Å; W1009-I1011 PolarHBondContact O-N 2.81Å |
| 1010 | D | 58.9 | Low | 62.3 | Low | 59 Ų | 59 | 67.4 Ų | 67.4 | 32% | 0.316 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.2 | -15 | -175 | 54.9 | -46 | 0 | 0 | 0 | 114.1 | R960 R1008 | R960-D1010 IonicContact NH1-OD2 2.64Å; R1008-D1010 WeakPolarHBondContact CB-OD1 3.32Å; R1008-D1010 IonicContact CZ-OD1 3.68Å; R1008-D1010 IonicContact CZ-OD2 2.73Å; R1008-D1010 IonicContact NE-OD1 3.64Å; R1008-D1010 PolarHBondContact NE-OD1 3.01Å; R1008-D1010 IonicContact NE-OD2 2.74Å; R1008-D1010 IonicContact NH2-OD1 2.63Å; R1008-D1010 PolarHBondContact NH2-OD1 3.33Å; R1008-D1010 IonicContact NH2-OD2 3.34Å; R1008-D1010 PolarHBondContact NH2-OD2 2.81Å; R1008-D1010 PolarHBondContact O-N 2.82Å; R1008-D1010 VanDerWaalsContact O-N 3.07Å |
| 1011 | I | 59.1 | Low | 61.5 | Low | 29 Ų | 29 | 73.6 Ų | 73.6 | 15% | 0.149 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -113.4 | -35.2 | -176.7 | -38.1 | -177.5 | 0 | 0 | 0 | 112.6 | F990 H991 R1008 W1009 R1013 L1014 | F990-I1011 HydrophobicContact CD2-CD1 3.78Å; F990-I1011 HydrophobicContact CE2-CD1 4.13Å; F990-I1011 HydrophobicContact CE2-CG2 4.11Å; H991-I1011 VanDerWaalsContact ND1-CG2 3.34Å; H991-I1011 WeakPolarHBondContact ND1-CG2 3.43Å; R1008-I1011 HydrophobicContact CB-CG1 4.5Å; R1008-I1011 PolarHBondContact O-N 2.82Å; W1009-I1011 PolarHBondContact O-N 2.81Å; I1011-R1013 PolarHBondContact O-N 3.39Å; I1011-R1013 VanDerWaalsContact O-N 3.14Å; I1011-L1014 PolarHBondContact O-N 2.85Å |
| 1012 | N | 56.8 | Low | 60.9 | Low | 48 Ų | 48 | 78.6 Ų | 78.6 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.6 | -28.3 | -176.2 | -152.6 | -6.1 | 0 | 0 | 0 | 112.6 | V1007 L1014 L1016 | V1007-N1012 HydrophobicContact CG1-CB 4.29Å; N1012-L1014 VanDerWaalsContact C-N 3.31Å; N1012-L1014 PolarHBondContact O-N 2.95Å; N1012-L1016 WeakPolarHBondContact O-CB 3.46Å; N1012-L1016 PolarHBondContact O-N 3.09Å; N1012-L1016 VanDerWaalsContact O-N 3.11Å |
| 1013 | R | 52.7 | Low | 59.7 | Low | 184 Ų | 184 | 86 Ų | 86 | 69% | 0.694 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64 | -28 | 174.9 | -172.7 | 177.2 | 179.7 | -170.2 | -0.8 | 114.2 | I1011 | I1011-R1013 PolarHBondContact O-N 3.39Å; I1011-R1013 VanDerWaalsContact O-N 3.14Å |
| 1014 | L | 55.8 | Low | 58.4 | Low | 114 Ų | 114 | 89.4 Ų | 89.4 | 60% | 0.597 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -76.7 | -50 | 177.7 | -75.8 | 161.2 | 0 | 0 | 0 | 110.7 | I1011 N1012 L1016 N1017 E1018 | I1011-L1014 PolarHBondContact O-N 2.85Å; N1012-L1014 VanDerWaalsContact C-N 3.31Å; N1012-L1014 PolarHBondContact O-N 2.95Å; L1014-L1016 VanDerWaalsContact C-N 3.31Å; L1014-L1016 PolarHBondContact O-N 3.18Å; L1014-N1017 WeakPolarHBondContact O-CB 3.25Å; L1014-N1017 PolarHBondContact O-N 3.41Å; L1014-E1018 PolarHBondContact O-N 2.98Å |
| 1015 | I | 55.7 | Low | 56.9 | Low | 50 Ų | 50 | 94.3 Ų | 94.3 | 26% | 0.256 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.3 | -39.8 | -179.3 | -65.5 | 173.8 | 0 | 0 | 0 | 111.4 | H991 N1017 E1018 Q1019 | H991-I1015 WeakPolarHBondContact CE1-CD1 3.41Å; H991-I1015 WeakPolarHBondContact NE2-CD1 3.44Å; I1015-N1017 VanDerWaalsContact C-N 3.27Å; I1015-N1017 PolarHBondContact O-N 3.24Å; I1015-E1018 PolarHBondContact O-N 3.32Å; I1015-Q1019 HydrophobicContact CG2-CG 4.19Å; I1015-Q1019 WeakPolarHBondContact O-CB 3.37Å; I1015-Q1019 WeakPolarHBondContact O-CG 3.36Å; I1015-Q1019 PolarHBondContact O-N 3.24Å |
| 1016 | L | 54.7 | Low | 55.6 | Low | 101 Ų | 101 | 102.9 Ų | 102.9 | 53% | 0.529 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60 | -34.5 | 175 | -84.3 | 164.7 | 0 | 0 | 0 | 112.9 | N1012 L1014 Y1020 | N1012-L1016 WeakPolarHBondContact O-CB 3.46Å; N1012-L1016 PolarHBondContact O-N 3.09Å; N1012-L1016 VanDerWaalsContact O-N 3.11Å; L1014-L1016 VanDerWaalsContact C-N 3.31Å; L1014-L1016 PolarHBondContact O-N 3.18Å; L1016-Y1020 WeakPolarHBondContact O-CB 3.27Å; L1016-Y1020 PolarHBondContact O-N 3.14Å |
| 1017 | N | 61.4 | Low | 54.5 | Low | 109 Ų | 109 | 105.7 Ų | 105.7 | 58% | 0.583 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -73 | -44.9 | 177.6 | -74.8 | -2.1 | 0 | 0 | 0 | 111.9 | L1014 I1015 Y1020 R1021 | L1014-N1017 WeakPolarHBondContact O-CB 3.25Å; L1014-N1017 PolarHBondContact O-N 3.41Å; I1015-N1017 VanDerWaalsContact C-N 3.27Å; I1015-N1017 PolarHBondContact O-N 3.24Å; N1017-Y1020 PolarHBondContact O-N 3.01Å; N1017-R1021 PolarHBondContact O-N 2.74Å |
| 1018 | E | 54.8 | Low | 53.2 | Low | 129 Ų | 129 | 111 Ų | 111 | 60% | 0.603 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.9 | -44.4 | 177.6 | -69.3 | -175.6 | 120.6 | 0 | 0 | 112.1 | L1014 I1015 Y1020 R1021 N1022 | L1014-E1018 PolarHBondContact O-N 2.98Å; I1015-E1018 PolarHBondContact O-N 3.32Å; E1018-Y1020 VanDerWaalsContact C-N 3.26Å; E1018-Y1020 PolarHBondContact O-N 3.41Å; E1018-R1021 WeakPolarHBondContact O-CB 3.3Å; E1018-R1021 PolarHBondContact O-N 2.72Å; E1018-N1022 PolarHBondContact O-N 3.44Å |
| 1019 | Q | 53.7 | Low | 52.1 | Low | 94 Ų | 94 | 112.5 Ų | 112.5 | 44% | 0.439 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.6 | -26.4 | 177.9 | -70.9 | -168.9 | 11.6 | 0 | 0 | 113.1 | I1015 R1023 | I1015-Q1019 HydrophobicContact CG2-CG 4.19Å; I1015-Q1019 WeakPolarHBondContact O-CB 3.37Å; I1015-Q1019 WeakPolarHBondContact O-CG 3.36Å; I1015-Q1019 PolarHBondContact O-N 3.24Å; Q1019-R1023 WeakPolarHBondContact O-CB 3.49Å; Q1019-R1023 VanDerWaalsContact O-CG 3.28Å; Q1019-R1023 WeakPolarHBondContact O-CG 3.33Å; Q1019-R1023 PolarHBondContact O-N 2.88Å |
| 1020 | Y | 52.9 | Low | 51 | Low | 194 Ų | 194 | 111.7 Ų | 111.7 | 76% | 0.761 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.8 | -41.8 | 173 | -147.4 | -92.1 | 0 | 0 | 0 | 111 | L1016 N1017 E1018 R1023 S1024 | L1016-Y1020 WeakPolarHBondContact O-CB 3.27Å; L1016-Y1020 PolarHBondContact O-N 3.14Å; N1017-Y1020 PolarHBondContact O-N 3.01Å; E1018-Y1020 VanDerWaalsContact C-N 3.26Å; E1018-Y1020 PolarHBondContact O-N 3.41Å; Y1020-R1023 PolarHBondContact O-N 2.86Å; Y1020-S1024 PolarHBondContact O-N 3.17Å |
| 1021 | R | 49.7 | Very low | 49.7 | Very low | 139 Ų | 139 | 114.1 Ų | 114.1 | 53% | 0.525 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.1 | -53.4 | 176.6 | -146.2 | 175.2 | -167.3 | 158 | 6.9 | 111.1 | N1017 E1018 R1023 S1024 | N1017-R1021 PolarHBondContact O-N 2.74Å; E1018-R1021 WeakPolarHBondContact O-CB 3.3Å; E1018-R1021 PolarHBondContact O-N 2.72Å; R1021-R1023 PolarHBondContact O-N 3.04Å; R1021-R1023 VanDerWaalsContact O-N 3.14Å; R1021-S1024 PolarHBondContact O-N 2.68Å; R1021-S1024 VanDerWaalsContact O-N 3.14Å; R1021-S1024 PolarHBondContact O-OG 2.83Å |
| 1022 | N | 52 | Low | 48.4 | Very low | 107 Ų | 107 | 123 Ų | 123 | 57% | 0.572 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.4 | -13 | -178.6 | -66.9 | -7.3 | 0 | 0 | 0 | 114.2 | E1018 | E1018-N1022 PolarHBondContact O-N 3.44Å |
| 1023 | R | 46.9 | Very low | 47.4 | Very low | 165 Ų | 165 | 128.3 Ų | 128.3 | 62% | 0.623 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -86.8 | -27 | 172.8 | -83.4 | 177.2 | 167.6 | 142.8 | -1.6 | 113.2 | Q1019 Y1020 R1021 I1027 | Q1019-R1023 WeakPolarHBondContact O-CB 3.49Å; Q1019-R1023 VanDerWaalsContact O-CG 3.28Å; Q1019-R1023 WeakPolarHBondContact O-CG 3.33Å; Q1019-R1023 PolarHBondContact O-N 2.88Å; Y1020-R1023 PolarHBondContact O-N 2.86Å; R1021-R1023 PolarHBondContact O-N 3.04Å; R1021-R1023 VanDerWaalsContact O-N 3.14Å; R1023-I1027 VanDerWaalsContact O-CD1 3.29Å; R1023-I1027 WeakPolarHBondContact O-CD1 3.25Å; R1023-I1027 WeakPolarHBondContact O-CG1 3.46Å |
| 1024 | S | 48.8 | Very low | 46.5 | Very low | 73 Ų | 73 | 125.9 Ų | 125.9 | 51% | 0.51 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67 | -40 | -178.5 | 65.9 | 0 | 0 | 0 | 0 | 112.1 | Y1020 R1021 K1026 | Y1020-S1024 PolarHBondContact O-N 3.17Å; R1021-S1024 PolarHBondContact O-N 2.68Å; R1021-S1024 VanDerWaalsContact O-N 3.14Å; R1021-S1024 PolarHBondContact O-OG 2.83Å; S1024-K1026 VanDerWaalsContact C-N 3.31Å; S1024-K1026 PolarHBondContact O-N 2.99Å |
| 1025 | E | 46.9 | Very low | 45.4 | Very low | 146 Ų | 146 | 127.1 Ų | 127.1 | 68% | 0.682 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -25.2 | -177.2 | -61.2 | -179.6 | 159.4 | 0 | 0 | 114 | ||
| 1026 | K | 49.1 | Very low | 44.2 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 78% | 0.778 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -3 | -175.8 | -78.1 | -175 | 174.4 | 178 | 0 | 115.3 | S1024 | S1024-K1026 VanDerWaalsContact C-N 3.31Å; S1024-K1026 PolarHBondContact O-N 2.99Å |
| 1027 | I | 47.8 | Very low | 43 | Very low | 78 Ų | 78 | 136.3 Ų | 136.3 | 40% | 0.4 | 65% | 0.65 | S | S | . | * | S | Bend | trans | -92.2 | -10.1 | -171.7 | -72.7 | 170.5 | 0 | 0 | 0 | 113.1 | R1023 | R1023-I1027 VanDerWaalsContact O-CD1 3.29Å; R1023-I1027 WeakPolarHBondContact O-CD1 3.25Å; R1023-I1027 WeakPolarHBondContact O-CG1 3.46Å |
| 1028 | T | 39.3 | Very low | 41.3 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 73% | 0.73 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -89.1 | -16.8 | -168.6 | 49.2 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1029 | S | 37.9 | Very low | 40 | Very low | 85 Ų | 85 | 135 Ų | 135 | 59% | 0.594 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -82.4 | -74.6 | -170.1 | 71.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1030 | D | 35.3 | Very low | 38.8 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 77% | 0.77 | 66% | 0.663 | S | S | * | * | trans | -111 | 42.6 | -155.2 | -68.4 | -71.9 | 0 | 0 | 0 | 115.8 | R1032 | D1030-R1032 VanDerWaalsContact C-N 3.31Å; D1030-R1032 PolarHBondContact O-N 2.82Å | ||
| 1031 | R | 31.6 | Very low | 37.6 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 41% | 0.411 | 65% | 0.654 | S | S | . | * | trans | -81.1 | 68.8 | 169 | -60.9 | -173.8 | 90.7 | -132.2 | -0.9 | 112 | N1045 | R1031-N1045 WeakPolarHBondContact CD-OD1 3.45Å; R1031-N1045 PolarHBondContact NE-OD1 2.87Å; R1031-N1045 PolarHBondContact NH1-OD1 2.95Å | ||
| 1032 | R | 33.3 | Very low | 36.5 | Very low | 217 Ų | 217 | 129.2 Ų | 129.2 | 82% | 0.819 | 66% | 0.657 | S | S | * | * | trans | -154.5 | 143.6 | 173.9 | -97.7 | 144 | -161.9 | -165.6 | 5.6 | 113.2 | D1030 | D1030-R1032 VanDerWaalsContact C-N 3.31Å; D1030-R1032 PolarHBondContact O-N 2.82Å | ||
| 1033 | I | 36.2 | Very low | 35.6 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 81% | 0.81 | 67% | 0.669 | S | S | * | * | trans | 61.5 | 82.9 | 165.4 | -52.1 | 162.1 | 0 | 0 | 0 | 113.9 | ||||
| 1034 | I | 33.5 | Very low | 34.8 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 68% | 0.682 | 66% | 0.657 | S | S | * | * | cis | 86.6 | 127.3 | 25.4 | -58.3 | 166.6 | 0 | 0 | 0 | 115.3 | ||||
| 1035 | N | 32.3 | Very low | 33.7 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 75% | 0.754 | 65% | 0.651 | S | S | * | * | trans | 74.6 | 88.2 | 163.6 | -67.7 | -9.1 | 0 | 0 | 0 | 121.5 | ||||
| 1036 | K | 30.7 | Very low | 33 | Very low | 197 Ų | 197 | 124.6 Ų | 124.6 | 86% | 0.857 | 65% | 0.645 | S | S | * | * | S | Bend | -168.6 | 131.5 | 105.1 | -111.4 | 177.6 | -179.5 | 176.8 | 0 | 112.8 | |||
| 1037 | I | 28.7 | Very low | 31.8 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 75% | 0.754 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 55.3 | 73.6 | 175.4 | -50.1 | -176 | 0 | 0 | 0 | 111.4 | ||
| 1038 | D | 26.9 | Very low | 30.8 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 69% | 0.69 | 66% | 0.664 | S | S | * | * | 77.1 | 126.9 | 76.1 | -60.6 | -21.6 | 0 | 0 | 0 | 110.6 | |||||
| 1039 | C | 27.3 | Very low | 30.1 | Very low | 82 Ų | 82 | 130 Ų | 130 | 55% | 0.554 | 66% | 0.662 | S | S | * | * | cis | -150.7 | 130.9 | 14.3 | -121.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1040 | I | 27.7 | Very low | 29.4 | Very low | 125 Ų | 125 | 133 Ų | 133 | 64% | 0.641 | 67% | 0.672 | S | S | * | * | 64.4 | 137.5 | 122.3 | -73.1 | -175.3 | 0 | 0 | 0 | 118.8 | R568 | R568-I1040 PolarHBondContact NH2-O 2.85Å; R568-I1040 VanDerWaalsContact NH2-O 3.14Å | |||
| 1041 | S | 27.3 | Very low | 28.9 | Very low | 84 Ų | 84 | 133.6 Ų | 133.6 | 59% | 0.587 | 67% | 0.674 | S | S | * | * | cis | -166.1 | 149.7 | -16.6 | 60 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1042 | T | 27 | Very low | 28.6 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 58% | 0.583 | 69% | 0.689 | S | S | * | * | trans | 18.7 | 112.7 | 139.4 | 65.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1043 | I | 33.9 | Very low | 28.2 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 82% | 0.815 | 68% | 0.675 | S | S | * | * | -120.1 | 98.7 | 127.7 | -73.7 | 175.2 | 0 | 0 | 0 | 103.2 | |||||
| 1044 | T | 29.4 | Very low | 27.5 | Very low | 62 Ų | 62 | 129.3 Ų | 129.3 | 38% | 0.38 | 68% | 0.677 | S | S | . | * | 67.5 | 125.8 | 75.8 | 71.1 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1045 | N | 26.3 | Very low | 27.1 | Very low | 70 Ų | 70 | 129.6 Ų | 129.6 | 37% | 0.374 | 68% | 0.678 | S | S | . | * | 42.9 | 137.6 | 70.7 | -70.3 | 58.1 | 0 | 0 | 0 | 112.7 | R1031 | R1031-N1045 WeakPolarHBondContact CD-OD1 3.45Å; R1031-N1045 PolarHBondContact NE-OD1 2.87Å; R1031-N1045 PolarHBondContact NH1-OD1 2.95Å | |||
| 1046 | N | 32.3 | Very low | 27.1 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 55% | 0.551 | 67% | 0.667 | S | S | * | * | cis | -154.5 | 179.4 | -10.1 | -105.4 | 11.1 | 0 | 0 | 0 | 105.7 | ||||
| 1047 | Y | 23.8 | Very low | 27.1 | Very low | 214 Ų | 214 | 124.1 Ų | 124.1 | 84% | 0.839 | 66% | 0.663 | S | S | * | * | trans | 71.5 | 148.5 | 176.6 | -44.6 | -80.5 | 0 | 0 | 0 | 112.5 | ||||
| 1048 | I | 25.9 | Very low | 27.5 | Very low | 147 Ų | 147 | 124.6 Ų | 124.6 | 75% | 0.754 | 66% | 0.662 | S | S | * | * | cis | -131.8 | 132.3 | 24.5 | -68.9 | 171 | 0 | 0 | 0 | 111.1 | ||||
| 1049 | N | 24.1 | Very low | 27.6 | Very low | 128 Ų | 128 | 128.3 Ų | 128.3 | 68% | 0.684 | 67% | 0.666 | S | S | * | * | trans | 54.4 | 141.1 | 158.3 | -56.6 | 8.4 | 0 | 0 | 0 | 121.4 | ||||
| 1050 | D | 24.6 | Very low | 27.7 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 67% | 0.671 | S | S | * | * | trans | 53.2 | 132.5 | 158.5 | -46.2 | -26.7 | 0 | 0 | 0 | 118.3 | ||||
| 1051 | L | 24.9 | Very low | 27.8 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 82% | 0.822 | 67% | 0.674 | S | S | * | * | cis | -117.7 | 138.9 | 25.3 | -145.8 | 77.1 | 0 | 0 | 0 | 112.8 | ||||
| 1052 | D | 24 | Very low | 27.8 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | trans | -76.3 | -173.3 | 156.7 | -155.8 | -17.3 | 0 | 0 | 0 | 109.4 | ||||
| 1053 | L | 24.5 | Very low | 27.9 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 54% | 0.539 | 69% | 0.691 | S | S | . | * | trans | 66 | 110.4 | 165.5 | -36.7 | 118.1 | 0 | 0 | 0 | 115.5 | I1055 S1056 | L1053-I1055 VanDerWaalsContact CD2-O 3.23Å; L1053-I1055 WeakPolarHBondContact CD2-O 3.46Å; L1053-S1056 WeakPolarHBondContact CD2-O 3.47Å | ||
| 1054 | N | 22.9 | Very low | 27.6 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 83% | 0.834 | 68% | 0.682 | S | S | * | * | S | Bend | cis | 30.8 | 74.4 | 23.3 | -92.4 | -14.1 | 0 | 0 | 0 | 115.4 | ||
| 1055 | I | 23.9 | Very low | 27.5 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 71% | 0.713 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 79.5 | 139.3 | 156.1 | -49.9 | 153.7 | 0 | 0 | 0 | 115.3 | L1053 | L1053-I1055 VanDerWaalsContact CD2-O 3.23Å; L1053-I1055 WeakPolarHBondContact CD2-O 3.46Å |
| 1056 | S | 32.3 | Very low | 27.6 | Very low | 74 Ų | 74 | 141.9 Ų | 141.9 | 52% | 0.517 | 71% | 0.708 | S | S | . | * | trans | 62.4 | 104.2 | 164.9 | 51.6 | 0 | 0 | 0 | 0 | 118.8 | L1053 | L1053-S1056 WeakPolarHBondContact CD2-O 3.47Š| ||
| 1057 | L | 32.3 | Very low | 27.4 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 78% | 0.78 | 72% | 0.716 | S | S | * | * | 79.2 | 118.1 | 88.8 | -72.8 | 159.1 | 0 | 0 | 0 | 116.1 | |||||
| 1058 | H | 35.5 | Very low | 27.8 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 73% | 0.731 | 71% | 0.71 | S | S | * | * | trans | 77.1 | 128.5 | 148.3 | -74.8 | -59.1 | 0 | 0 | 0 | 122.5 | ||||
| 1059 | R | 29.4 | Very low | 28 | Very low | 207 Ų | 207 | 139 Ų | 139 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | trans | 74.9 | 157.3 | 147.8 | -66.3 | -174.6 | 170.9 | 140 | 3.3 | 119.4 | ||||
| 1060 | E | 30 | Very low | 28.4 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | cis | -163.5 | 153.9 | -30 | -111.1 | 152.9 | -167.1 | 0 | 0 | 107.2 | ||||
| 1061 | D | 29.5 | Very low | 28.6 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | trans | 58.7 | 120.4 | 150.3 | -51.6 | -19.2 | 0 | 0 | 0 | 124.6 | ||||
| 1062 | E | 28.3 | Very low | 28.8 | Very low | 173 Ų | 173 | 140 Ų | 140 | 81% | 0.808 | 71% | 0.712 | S | S | * | * | 79.6 | 145.4 | 121.5 | -73.2 | -167.8 | 155.5 | 0 | 0 | 127 | |||||
| 1063 | E | 27.8 | Very low | 29.1 | Very low | 153 Ų | 153 | 142 Ų | 142 | 72% | 0.715 | 72% | 0.717 | S | S | * | * | trans | 73 | 116.3 | 145.7 | -73.8 | -157.2 | 151.8 | 0 | 0 | 126 | ||||
| 1064 | L | 27.7 | Very low | 29.3 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 63% | 0.634 | 72% | 0.723 | S | S | * | * | 69.8 | 125.5 | 122.4 | -62.5 | 178.8 | 0 | 0 | 0 | 124.3 | |||||
| 1065 | N | 26.6 | Very low | 29.5 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 65% | 0.652 | 72% | 0.723 | S | S | * | * | 77.8 | 133.9 | 126 | -77.3 | -18.9 | 0 | 0 | 0 | 124 | |||||
| 1066 | N | 28.3 | Very low | 29.8 | Very low | 123 Ų | 123 | 146 Ų | 146 | 66% | 0.658 | 72% | 0.723 | S | S | * | * | trans | 77.1 | 136.1 | 134.5 | -70.8 | -19 | 0 | 0 | 0 | 121.5 | ||||
| 1067 | N | 28.8 | Very low | 29.8 | Very low | 132 Ų | 132 | 150.4 Ų | 150.4 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | 49.8 | 126.6 | 139.8 | -49.2 | -17.6 | 0 | 0 | 0 | 117.7 | ||||
| 1068 | D | 32.3 | Very low | 29.6 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | -162.7 | 165.1 | 62.4 | -123 | -40.4 | 0 | 0 | 0 | 116.9 | |||||
| 1069 | N | 29.5 | Very low | 29.3 | Very low | 136 Ų | 136 | 147.8 Ų | 147.8 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -40.4 | 144.2 | 171.9 | -67.5 | -82.4 | 0 | 0 | 0 | 117.3 | ||||
| 1070 | I | 32.3 | Very low | 29.4 | Very low | 160 Ų | 160 | 144.1 Ų | 144.1 | 82% | 0.821 | 72% | 0.724 | S | S | * | * | -168.8 | 157 | 113 | -97 | 155.8 | 0 | 0 | 0 | 111.6 | |||||
| 1071 | N | 29.7 | Very low | 29.4 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 77% | 0.765 | 72% | 0.72 | S | S | * | * | trans | -51.8 | 155.2 | 179.4 | -50.1 | -71.2 | 0 | 0 | 0 | 113.1 | ||||
| 1072 | I | 29.9 | Very low | 29.5 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | cis | -140.3 | 152 | 37.8 | -69.9 | 171.5 | 0 | 0 | 0 | 113 | ||||
| 1073 | Q | 29.1 | Very low | 29.7 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | trans | -17.4 | 143.2 | 163.3 | -62.9 | 164 | 4.6 | 0 | 0 | 118.3 | ||||
| 1074 | S | 29 | Very low | 29.7 | Very low | 94 Ų | 94 | 141.4 Ų | 141.4 | 66% | 0.657 | 73% | 0.73 | S | S | * | * | cis | -171.1 | 134.5 | -2.2 | 50.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1075 | R | 28 | Very low | 29.6 | Very low | 220 Ų | 220 | 143.1 Ų | 143.1 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | trans | 60.1 | 142.1 | 131.6 | -61.3 | 179.5 | 170.4 | 179 | -1.6 | 119.7 | ||||
| 1076 | K | 29.6 | Very low | 29.5 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | cis | -166.8 | 147 | 2 | -119.6 | 174.6 | -179.7 | -170.7 | 0 | 112.7 | ||||
| 1077 | K | 31.4 | Very low | 29.3 | Very low | 167 Ų | 167 | 142.3 Ų | 142.3 | 73% | 0.726 | 75% | 0.753 | S | S | * | * | trans | 16.4 | 147 | 143.2 | -56.7 | -170.1 | 173.8 | -160.1 | 0 | 122.2 | ||||
| 1078 | S | 29.4 | Very low | 29.2 | Very low | 97 Ų | 97 | 143.8 Ų | 143.8 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | cis | 86.9 | 148.7 | 16.5 | 87.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1079 | M | 29.2 | Very low | 29 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 77% | 0.768 | 75% | 0.751 | S | S | * | * | trans | 89.9 | 150.8 | 169.2 | -62.5 | -178.1 | 146.4 | 0 | 0 | 119.1 | ||||
| 1080 | I | 31.1 | Very low | 29 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | cis | -173.9 | 173.3 | -30.6 | -116.4 | 169.1 | 0 | 0 | 0 | 110.5 | ||||
| 1081 | S | 30.2 | Very low | 29 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 55% | 0.552 | 74% | 0.736 | S | S | * | * | trans | 76 | 163.1 | 161.5 | 70.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1082 | E | 30.6 | Very low | 28.9 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | cis | -175.8 | 116.1 | -44.3 | -103.8 | 163.1 | -148.7 | 0 | 0 | 109.6 | ||||
| 1083 | V | 32.9 | Very low | 28.7 | Very low | 146 Ų | 146 | 137.2 Ų | 137.2 | 89% | 0.885 | 73% | 0.734 | S | S | * | * | trans | -151.6 | 154.9 | 169.4 | -175 | 0 | 0 | 0 | 0 | 112 | ||||
| 1084 | N | 28.3 | Very low | 29 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | trans | -72.1 | 175.2 | -175.6 | -53.6 | -30 | 0 | 0 | 0 | 117.4 | ||||
| 1085 | D | 25.8 | Very low | 29.5 | Very low | 157 Ų | 157 | 134 Ų | 134 | 84% | 0.84 | 71% | 0.706 | S | S | * | * | trans | 77.6 | 131.4 | 151.2 | -61.3 | -35.2 | 0 | 0 | 0 | 120.7 | ||||
| 1086 | G | 24.4 | Very low | 30.5 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 73% | 0.732 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 56.3 | 92.2 | 141.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 1087 | D | 24 | Very low | 31.8 | Very low | 158 Ų | 158 | 127.4 Ų | 127.4 | 85% | 0.845 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 64 | 143.4 | 166.1 | -69.2 | -46.9 | 0 | 0 | 0 | 117.9 | ||
| 1088 | E | 26.1 | Very low | 33.3 | Very low | 162 Ų | 162 | 122.3 Ų | 122.3 | 76% | 0.757 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 58.9 | -167.1 | 172 | -42.7 | -162 | 132.1 | 0 | 0 | 117 | A1090 | E1088-A1090 VanDerWaalsContact C-N 3.31Å; E1088-A1090 PolarHBondContact O-N 3.23Å |
| 1089 | L | 28.7 | Very low | 35.1 | Very low | 123 Ų | 123 | 120.4 Ų | 120.4 | 64% | 0.644 | 65% | 0.645 | S | S | * | * | trans | 47.5 | 19.2 | 149.5 | -62.8 | 166.5 | 0 | 0 | 0 | 122.3 | T1091 | L1089-T1091 HydrophobicContact CD2-CG2 4.06Å; L1089-T1091 WeakPolarHBondContact CD2-OG1 3.25Å; L1089-T1091 PolarHBondContact O-N 2.72Å; L1089-T1091 PolarHBondContact O-OG1 3.27Å | ||
| 1090 | A | 28.6 | Very low | 37.1 | Very low | 105 Ų | 105 | 118.4 Ų | 118.4 | 87% | 0.868 | 63% | 0.629 | S | S | * | * | trans | -68.1 | 46.6 | 147.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1088 Q1092 | E1088-A1090 VanDerWaalsContact C-N 3.31Å; E1088-A1090 PolarHBondContact O-N 3.23Å; A1090-Q1092 PolarHBondContact O-N 3.17Å | ||
| 1091 | T | 33.5 | Very low | 38.9 | Very low | 58 Ų | 58 | 113.8 Ų | 113.8 | 36% | 0.356 | 61% | 0.608 | S | S | . | * | trans | -91.6 | 76.5 | -171.2 | 38.5 | 0 | 0 | 0 | 0 | 111.6 | L1089 R1094 | L1089-T1091 HydrophobicContact CD2-CG2 4.06Å; L1089-T1091 WeakPolarHBondContact CD2-OG1 3.25Å; L1089-T1091 PolarHBondContact O-N 2.72Å; L1089-T1091 PolarHBondContact O-OG1 3.27Å; T1091-R1094 HydrophobicContact CG2-CG 4.11Å | ||
| 1092 | Q | 27.3 | Very low | 40.7 | Very low | 156 Ų | 156 | 111.6 Ų | 111.6 | 73% | 0.729 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -111.2 | 110.4 | 167.1 | -64.2 | -168.9 | -1.6 | 0 | 0 | 108.5 | A1090 | A1090-Q1092 PolarHBondContact O-N 3.17Š|
| 1093 | N | 25.9 | Very low | 42.4 | Very low | 147 Ų | 147 | 103.6 Ų | 103.6 | 79% | 0.786 | 55% | 0.553 | S | S | * | * | trans | 47.9 | 68.7 | -170.6 | -70.2 | 4.6 | 0 | 0 | 0 | 114 | V1095 | N1093-V1095 HydrophobicContact CB-CG2 4.02Å; N1093-V1095 PolarHBondContact O-N 2.83Å | ||
| 1094 | R | 35.2 | Very low | 43.6 | Very low | 150 Ų | 150 | 103.4 Ų | 103.4 | 57% | 0.566 | 54% | 0.543 | S | S | * | . | trans | -64.9 | 74.5 | 149.9 | -79.3 | -170.9 | -176.2 | 156.7 | 8.1 | 108.6 | T1091 H1096 | T1091-R1094 HydrophobicContact CG2-CG 4.11Å; R1094-H1096 PolarHBondContact O-CD2 3.31Å; R1094-H1096 PolarHBondContact O-N 3.43Å; R1094-H1096 VanDerWaalsContact O-N 3.07Å | ||
| 1095 | V | 40.1 | Very low | 45 | Very low | 53 Ų | 53 | 100.1 Ų | 100.1 | 32% | 0.321 | 53% | 0.525 | S | S | . | . | trans | -67.2 | 105.9 | 167.4 | -173.4 | 0 | 0 | 0 | 0 | 105.9 | N1093 Y1097 | N1093-V1095 HydrophobicContact CB-CG2 4.02Å; N1093-V1095 PolarHBondContact O-N 2.83Å; V1095-Y1097 HydrophobicContact CB-CD2 4.11Å; V1095-Y1097 HydrophobicContact CB-CE1 4.31Å; V1095-Y1097 HydrophobicContact CB-CE2 3.71Å; V1095-Y1097 HydrophobicContact CG1-CD1 3.85Å; V1095-Y1097 HydrophobicContact CG1-CD2 4.06Å; V1095-Y1097 HydrophobicContact CG1-CE1 3.73Å; V1095-Y1097 HydrophobicContact CG1-CE2 3.95Å; V1095-Y1097 HydrophobicContact CG1-CG 4.01Å; V1095-Y1097 VanDerWaalsContact O-CD2 3.25Å; V1095-Y1097 WeakPolarHBondContact O-CD2 3.27Å; V1095-Y1097 PolarHBondContact O-N 2.74Å | ||
| 1096 | H | 49.3 | Very low | 46.7 | Very low | 127 Ų | 127 | 92.9 Ų | 92.9 | 59% | 0.588 | 49% | 0.487 | S | S | * | . | trans | -73 | 84.8 | 164.3 | -73.4 | -86.8 | 0 | 0 | 0 | 106.4 | R1094 I1098 | R1094-H1096 PolarHBondContact O-CD2 3.31Å; R1094-H1096 PolarHBondContact O-N 3.43Å; R1094-H1096 VanDerWaalsContact O-N 3.07Å; H1096-I1098 PolarHBondContact O-N 2.79Å | ||
| 1097 | Y | 56.5 | Low | 48 | Very low | 120 Ų | 120 | 93.3 Ų | 93.3 | 47% | 0.471 | 47% | 0.471 | S | S | . | . | trans | -56.1 | 137.1 | 170.2 | -63.4 | -83.8 | 0 | 0 | 0 | 108.1 | V1007 V1095 | V1007-Y1097 WeakPolarHBondContact CB-O 3.44Å; V1007-Y1097 PolarHBondContact N-O 3.01Å; V1095-Y1097 HydrophobicContact CB-CD2 4.11Å; V1095-Y1097 HydrophobicContact CB-CE1 4.31Å; V1095-Y1097 HydrophobicContact CB-CE2 3.71Å; V1095-Y1097 HydrophobicContact CG1-CD1 3.85Å; V1095-Y1097 HydrophobicContact CG1-CD2 4.06Å; V1095-Y1097 HydrophobicContact CG1-CE1 3.73Å; V1095-Y1097 HydrophobicContact CG1-CE2 3.95Å; V1095-Y1097 HydrophobicContact CG1-CG 4.01Å; V1095-Y1097 VanDerWaalsContact O-CD2 3.25Å; V1095-Y1097 WeakPolarHBondContact O-CD2 3.27Å; V1095-Y1097 PolarHBondContact O-N 2.74Å | ||
| 1098 | I | 62 | Low | 49.4 | Very low | 61 Ų | 61 | 87.8 Ų | 87.8 | 31% | 0.313 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.5 | 177.3 | -67.4 | 172.4 | 0 | 0 | 0 | 106.2 | V500 I996 Y1004 F1005 H1096 | V500-I1098 HydrophobicContact CG1-CD1 3.29Å; I996-I1098 HydrophobicContact CD1-CB 4.47Å; I996-I1098 HydrophobicContact CD1-CD1 4.07Å; I996-I1098 HydrophobicContact CD1-CG1 3.75Å; I996-I1098 HydrophobicContact CD1-CG2 4.11Å; Y1004-I1098 HydrophobicContact CD1-CG2 3.78Å; F1005-I1098 CarbonylContact O-C 3.51Å; F1005-I1098 VanDerWaalsContact O-CA 3.22Å; F1005-I1098 WeakPolarHBondContact O-CA 3.37Å; H1096-I1098 PolarHBondContact O-N 2.79Å |
| 1099 | D | 66.8 | Low | 51 | Low | 56 Ų | 56 | 80.2 Ų | 80.2 | 30% | 0.299 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 136.2 | 171.7 | -130.7 | -39.3 | 0 | 0 | 0 | 108.8 | H992 F1005 V1007 | H992-D1099 IonicContact CD2-OD2 2.7Å; H992-D1099 PolarHBondContact CD2-OD2 3.01Å; H992-D1099 IonicContact NE2-OD2 3.67Å; H992-D1099 PolarHBondContact NE2-OD2 3.45Å; F1005-D1099 HydrophobicContact CB-CB 3.97Å; F1005-D1099 PolarHBondContact N-O 3.08Å; F1005-D1099 PolarHBondContact O-N 2.6Å; V1007-D1099 HydrophobicContact CG2-CB 3.45Å; V1007-D1099 VanDerWaalsContact CG2-CB 3.45Å |
| 1100 | R | 71.8 | Confident | 52.3 | Low | 115 Ų | 115 | 78.4 Ų | 78.4 | 43% | 0.434 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 73.7 | 177.7 | -178.1 | 174.1 | 142.6 | -162.5 | -16.2 | 106.9 | F1002 Y1004 V1102 | F1002-R1100 HydrophobicContact CB-CG 3.72Å; F1002-R1100 HydrophobicContact CD1-CG 3.51Å; F1002-R1100 HydrophobicContact CD2-CG 4.13Å; F1002-R1100 HydrophobicContact CE1-CG 4.21Å; F1002-R1100 VanDerWaalsContact CE1-NE 3.34Å; F1002-R1100 VanDerWaalsContact CE2-NE 3.26Å; F1002-R1100 HydrophobicContact CG-CG 3.48Å; F1002-R1100 VanDerWaalsContact CG-CG 3.48Å; F1002-R1100 VanDerWaalsContact CZ-CZ 3.49Å; Y1004-R1100 HydrophobicContact CE1-CG 4.32Å; R1100-V1102 PolarHBondContact O-N 3.05Å |
| 1101 | C | 69.2 | Low | 53.5 | Low | 32 Ų | 32 | 80.8 Ų | 80.8 | 22% | 0.216 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 127.8 | -178.3 | -78.5 | 0 | 0 | 0 | 0 | 110.5 | H992 F1002 I1003 F1005 | H992-C1101 PolarHBondContact CE1-SG 3.48Å; F1002-C1101 WeakPolarHBondContact CA-O 3.2Å; I1003-C1101 PolarHBondContact N-O 3.35Å; I1003-C1101 PolarHBondContact O-N 2.97Å; I1003-C1101 VanDerWaalsContact O-N 3.13Å; F1005-C1101 HydrophobicContact CD2-CB 3.74Å; F1005-C1101 HydrophobicContact CE2-CB 3.58Å |
| 1102 | V | 68.9 | Low | 54.5 | Low | 33 Ų | 33 | 78.7 Ų | 78.7 | 20% | 0.2 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 126.6 | -178.6 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | F1002 R1100 F1106 E1110 | F1002-V1102 HydrophobicContact CD1-CG2 4.19Å; F1002-V1102 HydrophobicContact CE1-CG1 4.48Å; F1002-V1102 HydrophobicContact CE1-CG2 4.02Å; R1100-V1102 PolarHBondContact O-N 3.05Å; V1102-F1106 VanDerWaalsContact CG1-C 3.43Å; V1102-F1106 HydrophobicContact CG1-CB 3.32Å; V1102-F1106 VanDerWaalsContact CG1-O 3.24Å; V1102-F1106 WeakPolarHBondContact CG1-O 2.86Å; V1102-E1110 HydrophobicContact CB-CG 4.43Å; V1102-E1110 HydrophobicContact CG1-CG 4.17Å; V1102-E1110 HydrophobicContact CG2-CB 3.87Å; V1102-E1110 HydrophobicContact CG2-CG 3.87Å |
| 1103 | M | 64.7 | Low | 55.7 | Low | 10 Ų | 10 | 71.5 Ų | 71.5 | 5% | 0.049 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -68 | 155.8 | -179.2 | -69.4 | 173.9 | 72.5 | 0 | 0 | 110.9 | V998 V1000 P1001 I1003 N1105 F1106 | V998-M1103 HydrophobicContact CG1-SD 4.3Å; V1000-M1103 HydrophobicContact CB-SD 4.05Å; V1000-M1103 HydrophobicContact CG1-CE 4.39Å; V1000-M1103 HydrophobicContact CG1-SD 3.84Å; V1000-M1103 HydrophobicContact CG2-CE 4Å; V1000-M1103 HydrophobicContact CG2-SD 3.67Å; P1001-M1103 WeakPolarHBondContact O-CB 3.2Å; P1001-M1103 WeakPolarHBondContact O-CG 3.31Å; P1001-M1103 PolarHBondContact O-N 2.99Å; I1003-M1103 HydrophobicContact CD1-CE 4.16Å; I1003-M1103 HydrophobicContact CD1-CG 3.72Å; I1003-M1103 HydrophobicContact CD1-SD 4.1Å; I1003-M1103 HydrophobicContact CG1-CE 4.38Å; I1003-M1103 HydrophobicContact CG1-CG 3.69Å; I1003-M1103 HydrophobicContact CG1-SD 3.78Å; M1103-N1105 VanDerWaalsContact C-N 3.28Å; M1103-N1105 PolarHBondContact O-N 2.82Å; M1103-N1105 VanDerWaalsContact O-N 3.09Å; M1103-F1106 HydrophobicContact CB-CD2 3.92Å; M1103-F1106 WeakPolarHBondContact O-CA 3.33Å; M1103-F1106 VanDerWaalsContact O-CB 3.31Å; M1103-F1106 WeakPolarHBondContact O-CB 3.43Å; M1103-F1106 PolarHBondContact O-N 3.27Å |
| 1104 | Q | 58.2 | Low | 57.2 | Low | 142 Ų | 142 | 65.7 Ų | 65.7 | 66% | 0.664 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -53.7 | -40.8 | -166 | -173.1 | 172.8 | -7.5 | 0 | 0 | 114.1 | F1106 | Q1104-F1106 PolarHBondContact O-N 2.8Š|
| 1105 | N | 57.1 | Low | 58.2 | Low | 66 Ų | 66 | 63 Ų | 63 | 35% | 0.353 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -75.5 | 20 | 177.7 | -61 | 9.8 | 0 | 0 | 0 | 113.4 | M1103 M1120 | M1103-N1105 VanDerWaalsContact C-N 3.28Å; M1103-N1105 PolarHBondContact O-N 2.82Å; M1103-N1105 VanDerWaalsContact O-N 3.09Å; N1105-M1120 WeakPolarHBondContact O-CE 3.32Å; N1105-M1120 WeakPolarHBondContact O-CG 3.39Å |
| 1106 | F | 62.2 | Low | 58.8 | Low | 6 Ų | 6 | 60.7 Ų | 60.7 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -142.5 | -0.1 | -174.5 | -60.6 | -85.3 | 0 | 0 | 0 | 113.5 | V1000 P1001 V1102 M1103 Q1104 G1108 L1109 M1120 L1121 | V1000-F1106 HydrophobicContact CG1-CE2 4.07Å; V1000-F1106 HydrophobicContact CG1-CZ 4.35Å; P1001-F1106 HydrophobicContact CB-CB 3.8Å; P1001-F1106 HydrophobicContact CB-CD1 3.23Å; P1001-F1106 HydrophobicContact CB-CD2 3.49Å; P1001-F1106 VanDerWaalsContact CB-CD2 3.49Å; P1001-F1106 HydrophobicContact CB-CE1 3.65Å; P1001-F1106 HydrophobicContact CB-CE2 3.93Å; P1001-F1106 HydrophobicContact CB-CG 3.17Å; P1001-F1106 HydrophobicContact CB-CZ 4.03Å; P1001-F1106 HydrophobicContact CG-CD1 3.96Å; P1001-F1106 HydrophobicContact CG-CE1 4.39Å; P1001-F1106 HydrophobicContact CG-CG 4.25Å; V1102-F1106 VanDerWaalsContact CG1-C 3.43Å; V1102-F1106 HydrophobicContact CG1-CB 3.32Å; V1102-F1106 VanDerWaalsContact CG1-O 3.24Å; V1102-F1106 WeakPolarHBondContact CG1-O 2.86Å; M1103-F1106 HydrophobicContact CB-CD2 3.92Å; M1103-F1106 WeakPolarHBondContact O-CA 3.33Å; M1103-F1106 VanDerWaalsContact O-CB 3.31Å; M1103-F1106 WeakPolarHBondContact O-CB 3.43Å; M1103-F1106 PolarHBondContact O-N 3.27Å; Q1104-F1106 PolarHBondContact O-N 2.8Å; F1106-G1108 PolarHBondContact O-N 3.44Å; F1106-L1109 CarbonylContact O-C 3.55Å; F1106-L1109 VanDerWaalsContact O-C 3.27Å; F1106-L1109 VanDerWaalsContact O-CA 3.3Å; F1106-L1109 WeakPolarHBondContact O-CA 3.29Å; F1106-L1109 PolarHBondContact O-N 2.86Å; F1106-M1120 HydrophobicContact CD1-CB 3.75Å; F1106-M1120 HydrophobicContact CD1-CG 3.34Å; F1106-M1120 HydrophobicContact CE1-CB 3.7Å; F1106-M1120 HydrophobicContact CE1-CG 3.49Å; F1106-M1120 VanDerWaalsContact CE1-CG 3.49Å; F1106-M1120 WeakPolarHBondContact CE1-O 3.42Å; F1106-M1120 HydrophobicContact CG-CG 4.19Å; F1106-M1120 HydrophobicContact CZ-CG 4.39Å; F1106-M1120 VanDerWaalsContact CZ-O 3.29Å; F1106-M1120 WeakPolarHBondContact CZ-O 3.13Å; F1106-L1121 HydrophobicContact CE1-CB 4.07Å; F1106-L1121 HydrophobicContact CE1-CD2 4.21Å; F1106-L1121 HydrophobicContact CE1-CG 3.55Å; F1106-L1121 HydrophobicContact CE2-CD2 4.37Å; F1106-L1121 HydrophobicContact CE2-CG 4.49Å; F1106-L1121 HydrophobicContact CZ-CB 4.23Å; F1106-L1121 HydrophobicContact CZ-CD2 3.58Å; F1106-L1121 HydrophobicContact CZ-CG 3.47Å; F1106-L1121 VanDerWaalsContact CZ-CG 3.47Å |
| 1107 | I | 51.8 | Low | 59.4 | Low | 79 Ų | 79 | 57 Ų | 57 | 41% | 0.405 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 127.5 | 179.3 | -63.8 | 171.2 | 0 | 0 | 0 | 109 | L1109 I1146 | I1107-L1109 PolarHBondContact O-N 2.92Å; I1107-I1146 HydrophobicContact CB-CD1 4.12Å; I1107-I1146 HydrophobicContact CG2-CD1 4.13Å; I1107-I1146 WeakPolarHBondContact O-CD1 3.29Å |
| 1108 | G | 53.1 | Low | 59.4 | Low | 43 Ų | 43 | 53 Ų | 53 | 44% | 0.443 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 3.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | F1106 E1110 | F1106-G1108 PolarHBondContact O-N 3.44Å; G1108-E1110 PolarHBondContact N-OE1 2.93Å |
| 1109 | L | 59.3 | Low | 59.2 | Low | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | trans | -126.1 | 43.7 | 172.2 | -73.6 | 169.7 | 0 | 0 | 0 | 110.1 | F1106 I1107 S1112 T1116 M1120 I1142 V1147 N1150 | F1106-L1109 CarbonylContact O-C 3.55Å; F1106-L1109 VanDerWaalsContact O-C 3.27Å; F1106-L1109 VanDerWaalsContact O-CA 3.3Å; F1106-L1109 WeakPolarHBondContact O-CA 3.29Å; F1106-L1109 PolarHBondContact O-N 2.86Å; I1107-L1109 PolarHBondContact O-N 2.92Å; L1109-S1112 VanDerWaalsContact C-OG 3.24Å; L1109-S1112 PolarHBondContact O-OG 3.04Å; L1109-T1116 HydrophobicContact CD2-CG2 4.08Å; L1109-M1120 HydrophobicContact CB-CB 4.27Å; L1109-M1120 HydrophobicContact CB-CG 4.02Å; L1109-M1120 HydrophobicContact CD1-CB 3.92Å; L1109-M1120 HydrophobicContact CD1-CE 3.54Å; L1109-M1120 HydrophobicContact CD1-CG 3.49Å; L1109-M1120 VanDerWaalsContact CD1-CG 3.49Å; L1109-M1120 HydrophobicContact CD1-SD 3.37Å; L1109-M1120 WeakPolarHBondContact CD1-SD 3.49Å; L1109-M1120 HydrophobicContact CG-CG 4.38Å; L1109-I1142 HydrophobicContact CD2-CD1 4.04Å; L1109-I1142 HydrophobicContact CD2-CG2 4.05Å; L1109-V1147 HydrophobicContact CD1-CG2 3.63Å; L1109-V1147 HydrophobicContact CD2-CG2 3.81Å; L1109-V1147 HydrophobicContact CG-CG2 3.77Å; L1109-N1150 HydrophobicContact CD1-CB 4.17Å | ||
| 1110 | E | 57.8 | Low | 58.8 | Low | 86 Ų | 86 | 48.4 Ų | 48.4 | 40% | 0.402 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -86.4 | -54.5 | -168.8 | -37 | -168.9 | 166.8 | 0 | 0 | 111.2 | V1102 G1108 S1112 | V1102-E1110 HydrophobicContact CB-CG 4.43Å; V1102-E1110 HydrophobicContact CG1-CG 4.17Å; V1102-E1110 HydrophobicContact CG2-CB 3.87Å; V1102-E1110 HydrophobicContact CG2-CG 3.87Å; G1108-E1110 PolarHBondContact N-OE1 2.93Å; E1110-S1112 VanDerWaalsContact C-N 3.28Å |
| 1111 | D | 52.4 | Low | 58.3 | Low | 154 Ų | 154 | 43.3 Ų | 43.3 | 82% | 0.824 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -88.8 | 9.8 | 168.3 | -69.8 | -36.2 | 0 | 0 | 0 | 112.2 | D1113 | D1111-D1113 PolarHBondContact O-N 2.84Š|
| 1112 | S | 54.7 | Low | 57.6 | Low | 15 Ų | 15 | 42.7 Ų | 42.7 | 11% | 0.105 | 22% | 0.224 | C | C | . | . | trans | -59 | 140.1 | 175.6 | 63.8 | 0 | 0 | 0 | 0 | 109.6 | L1109 E1110 T1116 R1117 | L1109-S1112 VanDerWaalsContact C-OG 3.24Å; L1109-S1112 PolarHBondContact O-OG 3.04Å; E1110-S1112 VanDerWaalsContact C-N 3.28Å; S1112-T1116 PolarHBondContact OG-O 3.02Å; S1112-R1117 PolarHBondContact O-NE 3.05Å; S1112-R1117 WeakPolarHBondContact OG-CB 3.22Å | ||
| 1113 | D | 51.9 | Low | 56.9 | Low | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | trans | -50.3 | 149.7 | 174.1 | 45.2 | -45.3 | 0 | 0 | 0 | 109.8 | N567 K569 D1111 K1115 T1116 R1117 | N567-D1113 VanDerWaalsContact C-CB 3.49Å; N567-D1113 HydrophobicContact CB-CB 3.5Å; N567-D1113 WeakPolarHBondContact OD1-CA 3.29Å; K569-D1113 WeakPolarHBondContact CE-OD2 3.39Å; K569-D1113 WeakPolarHBondContact CG-OD2 3.13Å; D1111-D1113 PolarHBondContact O-N 2.84Å; D1113-K1115 PolarHBondContact O-N 2.95Å; D1113-K1115 VanDerWaalsContact O-N 3.14Å; D1113-K1115 WeakPolarHBondContact OD2-CA 2.68Å; D1113-K1115 WeakPolarHBondContact OD2-CB 2.94Å; D1113-T1116 VanDerWaalsContact CG-N 3.29Å; D1113-T1116 CarbonylContact O-C 3.52Å; D1113-T1116 WeakPolarHBondContact O-CA 3.3Å; D1113-T1116 PolarHBondContact O-N 2.82Å; D1113-T1116 WeakPolarHBondContact OD1-CB 3.19Å; D1113-T1116 PolarHBondContact OD1-N 3.16Å; D1113-T1116 PolarHBondContact OD1-OG1 3.15Å; D1113-T1116 PolarHBondContact OD2-N 2.97Å; D1113-T1116 PolarHBondContact OD2-OG1 2.83Å; D1113-R1117 WeakPolarHBondContact O-CA 3.46Å; D1113-R1117 WeakPolarHBondContact O-CB 3.31Å; D1113-R1117 PolarHBondContact O-N 2.9Å | ||
| 1114 | E | 58.9 | Low | 56.4 | Low | 26 Ų | 26 | 41 Ų | 41 | 12% | 0.121 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -42.4 | -49.2 | 162 | -161.6 | 162.2 | -168.3 | 0 | 0 | 108.7 | N567 T1116 R1117 E1118 A1119 | N567-E1114 VanDerWaalsContact ND2-CB 3.26Å; N567-E1114 WeakPolarHBondContact ND2-CB 3.42Å; N567-E1114 PolarHBondContact ND2-OE2 3.49Å; N567-E1114 PolarHBondContact OD1-N 3.37Å; E1114-T1116 PolarHBondContact O-N 2.96Å; E1114-R1117 CarbonylContact O-C 3.51Å; E1114-R1117 PolarHBondContact O-N 2.92Å; E1114-E1118 VanDerWaalsContact C-CB 3.49Å; E1114-E1118 HydrophobicContact CG-CB 4.1Å; E1114-E1118 WeakPolarHBondContact O-CA 3.36Å; E1114-E1118 WeakPolarHBondContact O-CB 3.16Å; E1114-E1118 PolarHBondContact O-N 2.83Å; E1114-A1119 PolarHBondContact O-N 2.96Å |
| 1115 | K | 54.6 | Low | 56 | Low | 94 Ų | 94 | 36.7 Ų | 36.7 | 41% | 0.409 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.5 | 3.9 | 176.3 | -68.1 | 165.2 | -177.6 | 176.6 | 0 | 117.7 | N583 D1113 A1119 | N583-K1115 WeakPolarHBondContact OD1-CE 3.48Å; N583-K1115 PolarHBondContact OD1-NZ 2.76Å; D1113-K1115 PolarHBondContact O-N 2.95Å; D1113-K1115 VanDerWaalsContact O-N 3.14Å; D1113-K1115 WeakPolarHBondContact OD2-CA 2.68Å; D1113-K1115 WeakPolarHBondContact OD2-CB 2.94Å; K1115-A1119 WeakPolarHBondContact O-CB 3.12Å |
| 1116 | T | 53.9 | Low | 55.8 | Low | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -135.8 | 13.8 | 165 | -43.8 | 0 | 0 | 0 | 0 | 112.8 | L1109 S1112 D1113 E1114 A1119 M1120 A1138 I1142 | L1109-T1116 HydrophobicContact CD2-CG2 4.08Å; S1112-T1116 PolarHBondContact OG-O 3.02Å; D1113-T1116 VanDerWaalsContact CG-N 3.29Å; D1113-T1116 CarbonylContact O-C 3.52Å; D1113-T1116 WeakPolarHBondContact O-CA 3.3Å; D1113-T1116 PolarHBondContact O-N 2.82Å; D1113-T1116 WeakPolarHBondContact OD1-CB 3.19Å; D1113-T1116 PolarHBondContact OD1-N 3.16Å; D1113-T1116 PolarHBondContact OD1-OG1 3.15Å; D1113-T1116 PolarHBondContact OD2-N 2.97Å; D1113-T1116 PolarHBondContact OD2-OG1 2.83Å; E1114-T1116 PolarHBondContact O-N 2.96Å; T1116-A1119 VanDerWaalsContact C-C 3.41Å; T1116-A1119 CarbonylContact O-C 3.58Å; T1116-M1120 VanDerWaalsContact C-N 3.34Å; T1116-M1120 VanDerWaalsContact O-CB 3.29Å; T1116-M1120 WeakPolarHBondContact O-CB 3.23Å; T1116-M1120 PolarHBondContact O-N 2.85Å; T1116-A1138 HydrophobicContact CG2-CB 3.9Å; T1116-I1142 HydrophobicContact CG2-CD1 3.28Å; T1116-I1142 HydrophobicContact CG2-CG1 4.02Å |
| 1117 | R | 61 | Low | 55.1 | Low | 49 Ų | 49 | 38 Ų | 38 | 19% | 0.185 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -130 | -40.5 | -178.6 | -165.4 | 166.5 | 41.8 | 70.7 | 8.3 | 112.1 | P1001 S1112 D1113 E1114 M1120 L1121 | P1001-R1117 HydrophobicContact CG-CG 3.89Å; S1112-R1117 PolarHBondContact O-NE 3.05Å; S1112-R1117 WeakPolarHBondContact OG-CB 3.22Å; D1113-R1117 WeakPolarHBondContact O-CA 3.46Å; D1113-R1117 WeakPolarHBondContact O-CB 3.31Å; D1113-R1117 PolarHBondContact O-N 2.9Å; E1114-R1117 CarbonylContact O-C 3.51Å; E1114-R1117 PolarHBondContact O-N 2.92Å; R1117-M1120 VanDerWaalsContact C-N 3.32Å; R1117-M1120 CarbonylContact O-C 3.58Å; R1117-M1120 PolarHBondContact O-N 2.99Å; R1117-L1121 WeakPolarHBondContact O-CA 3.4Å; R1117-L1121 WeakPolarHBondContact O-CB 3.34Å; R1117-L1121 PolarHBondContact O-N 2.66Å |
| 1118 | E | 57.1 | Low | 54.5 | Low | 37 Ų | 37 | 34.7 Ų | 34.7 | 17% | 0.173 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -49.8 | -56.6 | 138.3 | -159.2 | -136.7 | 124.1 | 0 | 0 | 107.1 | E1114 M1120 L1121 N1122 F1123 | E1114-E1118 VanDerWaalsContact C-CB 3.49Å; E1114-E1118 HydrophobicContact CG-CB 4.1Å; E1114-E1118 WeakPolarHBondContact O-CA 3.36Å; E1114-E1118 WeakPolarHBondContact O-CB 3.16Å; E1114-E1118 PolarHBondContact O-N 2.83Å; E1118-M1120 PolarHBondContact O-N 2.78Å; E1118-M1120 VanDerWaalsContact O-N 3.1Å; E1118-L1121 CarbonylContact O-C 3.56Å; E1118-L1121 WeakPolarHBondContact O-CA 3.24Å; E1118-L1121 PolarHBondContact O-N 3.43Å; E1118-N1122 WeakPolarHBondContact CG-ND2 3.4Å; E1118-N1122 WeakPolarHBondContact O-CA 3.46Å; E1118-N1122 WeakPolarHBondContact O-CB 3.18Å; E1118-N1122 VanDerWaalsContact O-CG 3.3Å; E1118-N1122 PolarHBondContact O-N 3.44Å; E1118-N1122 PolarHBondContact O-OD1 3.29Å; E1118-N1122 PolarHBondContact OE1-ND2 3.01Å; E1118-F1123 PolarHBondContact O-N 3.41Å |
| 1119 | A | 58.5 | Low | 53.9 | Low | 12 Ų | 12 | 36.5 Ų | 36.5 | 10% | 0.099 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -83.4 | 27.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1114 K1115 T1116 F1123 A1138 | E1114-A1119 PolarHBondContact O-N 2.96Å; K1115-A1119 WeakPolarHBondContact O-CB 3.12Å; T1116-A1119 VanDerWaalsContact C-C 3.41Å; T1116-A1119 CarbonylContact O-C 3.58Å; A1119-F1123 WeakPolarHBondContact O-CB 3.17Å; A1119-F1123 WeakPolarHBondContact O-CG 3.32Å; A1119-A1138 HydrophobicContact CB-CB 4.03Å |
| 1120 | M | 56.8 | Low | 52.8 | Low | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.039 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -118.6 | -16.5 | 145.7 | -169.2 | 53.7 | 161.7 | 0 | 0 | 111.5 | N1105 F1106 L1109 T1116 R1117 E1118 F1123 G1124 I1146 N1150 | N1105-M1120 WeakPolarHBondContact O-CE 3.32Å; N1105-M1120 WeakPolarHBondContact O-CG 3.39Å; F1106-M1120 HydrophobicContact CD1-CB 3.75Å; F1106-M1120 HydrophobicContact CD1-CG 3.34Å; F1106-M1120 HydrophobicContact CE1-CB 3.7Å; F1106-M1120 HydrophobicContact CE1-CG 3.49Å; F1106-M1120 VanDerWaalsContact CE1-CG 3.49Å; F1106-M1120 WeakPolarHBondContact CE1-O 3.42Å; F1106-M1120 HydrophobicContact CG-CG 4.19Å; F1106-M1120 HydrophobicContact CZ-CG 4.39Å; F1106-M1120 VanDerWaalsContact CZ-O 3.29Å; F1106-M1120 WeakPolarHBondContact CZ-O 3.13Å; L1109-M1120 HydrophobicContact CB-CB 4.27Å; L1109-M1120 HydrophobicContact CB-CG 4.02Å; L1109-M1120 HydrophobicContact CD1-CB 3.92Å; L1109-M1120 HydrophobicContact CD1-CE 3.54Å; L1109-M1120 HydrophobicContact CD1-CG 3.49Å; L1109-M1120 VanDerWaalsContact CD1-CG 3.49Å; L1109-M1120 HydrophobicContact CD1-SD 3.37Å; L1109-M1120 WeakPolarHBondContact CD1-SD 3.49Å; L1109-M1120 HydrophobicContact CG-CG 4.38Å; T1116-M1120 VanDerWaalsContact C-N 3.34Å; T1116-M1120 VanDerWaalsContact O-CB 3.29Å; T1116-M1120 WeakPolarHBondContact O-CB 3.23Å; T1116-M1120 PolarHBondContact O-N 2.85Å; R1117-M1120 VanDerWaalsContact C-N 3.32Å; R1117-M1120 CarbonylContact O-C 3.58Å; R1117-M1120 PolarHBondContact O-N 2.99Å; E1118-M1120 PolarHBondContact O-N 2.78Å; E1118-M1120 VanDerWaalsContact O-N 3.1Å; M1120-F1123 HydrophobicContact CE-CE1 4.49Å; M1120-F1123 HydrophobicContact SD-CD1 3.38Å; M1120-F1123 WeakPolarHBondContact SD-CD1 3.29Å; M1120-F1123 HydrophobicContact SD-CE1 3.61Å; M1120-G1124 WeakPolarHBondContact O-CA 3.34Å; M1120-G1124 PolarHBondContact O-N 3.4Å; M1120-I1146 HydrophobicContact CE-CG2 3.95Å; M1120-N1150 WeakPolarHBondContact CE-OD1 3.24Å; M1120-N1150 PolarHBondContact SD-ND2 3.49Å; M1120-N1150 PolarHBondContact SD-OD1 3.42Å |
| 1121 | L | 63 | Low | 52.4 | Low | 8 Ų | 8 | 33.4 Ų | 33.4 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -96.5 | -67.6 | -179.5 | -111.8 | 172.4 | 0 | 0 | 0 | 111.8 | F492 Y493 V1000 P1001 F1106 R1117 E1118 F1123 G1124 Y1125 | F492-L1121 HydrophobicContact CD1-CD2 3.97Å; Y493-L1121 HydrophobicContact CD2-CD1 3.98Å; Y493-L1121 HydrophobicContact CE2-CD1 3.82Å; V1000-L1121 HydrophobicContact CB-CD1 4.25Å; V1000-L1121 HydrophobicContact CB-CD2 4.23Å; V1000-L1121 HydrophobicContact CG1-CD1 4.01Å; V1000-L1121 HydrophobicContact CG1-CD2 3.41Å; V1000-L1121 VanDerWaalsContact CG1-CD2 3.41Å; V1000-L1121 HydrophobicContact CG1-CG 4.03Å; V1000-L1121 VanDerWaalsContact O-CD1 3.26Å; V1000-L1121 WeakPolarHBondContact O-CD1 3.05Å; P1001-L1121 HydrophobicContact CB-CD1 4.49Å; P1001-L1121 HydrophobicContact CG-CD1 4.46Å; F1106-L1121 HydrophobicContact CE1-CB 4.07Å; F1106-L1121 HydrophobicContact CE1-CD2 4.21Å; F1106-L1121 HydrophobicContact CE1-CG 3.55Å; F1106-L1121 HydrophobicContact CE2-CD2 4.37Å; F1106-L1121 HydrophobicContact CE2-CG 4.49Å; F1106-L1121 HydrophobicContact CZ-CB 4.23Å; F1106-L1121 HydrophobicContact CZ-CD2 3.58Å; F1106-L1121 HydrophobicContact CZ-CG 3.47Å; F1106-L1121 VanDerWaalsContact CZ-CG 3.47Å; R1117-L1121 WeakPolarHBondContact O-CA 3.4Å; R1117-L1121 WeakPolarHBondContact O-CB 3.34Å; R1117-L1121 PolarHBondContact O-N 2.66Å; E1118-L1121 CarbonylContact O-C 3.56Å; E1118-L1121 WeakPolarHBondContact O-CA 3.24Å; E1118-L1121 PolarHBondContact O-N 3.43Å; L1121-F1123 PolarHBondContact O-N 3.22Å; L1121-G1124 PolarHBondContact O-N 3.37Å; L1121-Y1125 WeakPolarHBondContact O-CA 3.43Å; L1121-Y1125 WeakPolarHBondContact O-CB 3.47Å; L1121-Y1125 PolarHBondContact O-N 2.73Å |
| 1122 | N | 52.7 | Low | 52.4 | Low | 20 Ų | 20 | 26 Ų | 26 | 11% | 0.107 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -39.6 | -39.7 | 161.1 | -49.7 | 8.9 | 0 | 0 | 0 | 108.3 | E1118 Y1125 Y1126 | E1118-N1122 WeakPolarHBondContact CG-ND2 3.4Å; E1118-N1122 WeakPolarHBondContact O-CA 3.46Å; E1118-N1122 WeakPolarHBondContact O-CB 3.18Å; E1118-N1122 VanDerWaalsContact O-CG 3.3Å; E1118-N1122 PolarHBondContact O-N 3.44Å; E1118-N1122 PolarHBondContact O-OD1 3.29Å; E1118-N1122 PolarHBondContact OE1-ND2 3.01Å; N1122-Y1125 CarbonylContact O-C 3.58Å; N1122-Y1125 VanDerWaalsContact O-C 3.29Å; N1122-Y1125 WeakPolarHBondContact O-CB 3.29Å; N1122-Y1126 HydrophobicContact CB-CE1 4.04Å; N1122-Y1126 HydrophobicContact CB-CE2 3.84Å; N1122-Y1126 VanDerWaalsContact CB-CZ 3.48Å; N1122-Y1126 WeakPolarHBondContact CB-OH 3.44Å; N1122-Y1126 WeakPolarHBondContact O-CD1 3.16Å; N1122-Y1126 WeakPolarHBondContact O-CD2 3.28Å; N1122-Y1126 WeakPolarHBondContact O-CE1 3.23Å; N1122-Y1126 PolarHBondContact O-N 2.97Å |
| 1123 | F | 54.6 | Low | 52.1 | Low | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -78.2 | -32.6 | 176.9 | 173 | -77.2 | 0 | 0 | 0 | 119.7 | E1118 A1119 M1120 L1121 Y1125 Y1126 L1127 A1135 M1139 N1150 K1153 | E1118-F1123 PolarHBondContact O-N 3.41Å; A1119-F1123 WeakPolarHBondContact O-CB 3.17Å; A1119-F1123 WeakPolarHBondContact O-CG 3.32Å; M1120-F1123 HydrophobicContact CE-CE1 4.49Å; M1120-F1123 HydrophobicContact SD-CD1 3.38Å; M1120-F1123 WeakPolarHBondContact SD-CD1 3.29Å; M1120-F1123 HydrophobicContact SD-CE1 3.61Å; L1121-F1123 PolarHBondContact O-N 3.22Å; F1123-Y1125 VanDerWaalsContact C-N 3.35Å; F1123-Y1126 HydrophobicContact CB-CD2 3.79Å; F1123-Y1126 HydrophobicContact CB-CE2 4.29Å; F1123-Y1126 HydrophobicContact CB-CG 4.49Å; F1123-Y1126 HydrophobicContact CD2-CD2 4.2Å; F1123-Y1126 HydrophobicContact CG-CD2 4.44Å; F1123-Y1126 CarbonylContact O-C 3.59Å; F1123-Y1126 WeakPolarHBondContact O-CA 3.15Å; F1123-Y1126 WeakPolarHBondContact O-CB 3.36Å; F1123-Y1126 PolarHBondContact O-N 2.94Å; F1123-L1127 PolarHBondContact O-N 3.48Å; F1123-A1135 HydrophobicContact CD2-CB 3.59Å; F1123-A1135 HydrophobicContact CE2-CB 3.45Å; F1123-A1135 VanDerWaalsContact CE2-CB 3.45Å; F1123-M1139 HydrophobicContact CD2-CE 4.34Å; F1123-M1139 HydrophobicContact CE2-CE 3.26Å; F1123-M1139 HydrophobicContact CZ-CE 3.51Å; F1123-N1150 WeakPolarHBondContact CD1-ND2 3.24Å; F1123-N1150 HydrophobicContact CE1-CB 4.5Å; F1123-N1150 WeakPolarHBondContact CE1-ND2 3.07Å; F1123-N1150 WeakPolarHBondContact CE1-OD1 3.11Å; F1123-N1150 HydrophobicContact CZ-CB 4.33Å; F1123-N1150 VanDerWaalsContact CZ-ND2 3.26Å; F1123-N1150 WeakPolarHBondContact CZ-ND2 3.32Å; F1123-N1150 VanDerWaalsContact CZ-OD1 3.22Å; F1123-N1150 WeakPolarHBondContact CZ-OD1 3.14Å; F1123-K1153 HydrophobicContact CE1-CD 4.21Å; F1123-K1153 HydrophobicContact CE2-CB 3.69Å; F1123-K1153 HydrophobicContact CE2-CD 3.6Å; F1123-K1153 HydrophobicContact CE2-CG 4.21Å; F1123-K1153 HydrophobicContact CZ-CB 3.81Å; F1123-K1153 HydrophobicContact CZ-CD 3.37Å; F1123-K1153 HydrophobicContact CZ-CG 4Å; F1123-K1153 PolarHBondContact O-NZ 3.06Å |
| 1124 | G | 55.3 | Low | 52.1 | Low | 7 Ų | 7 | 26 Ų | 26 | 7% | 0.072 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -81.5 | -30.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | M1120 L1121 L1127 A1128 | M1120-G1124 WeakPolarHBondContact O-CA 3.34Å; M1120-G1124 PolarHBondContact O-N 3.4Å; L1121-G1124 PolarHBondContact O-N 3.37Å; G1124-L1127 VanDerWaalsContact O-CB 3.31Å; G1124-L1127 WeakPolarHBondContact O-CB 3.38Å; G1124-L1127 PolarHBondContact O-N 3Å; G1124-L1127 VanDerWaalsContact O-N 3.09Å; G1124-A1128 PolarHBondContact O-N 2.98Å; G1124-A1128 VanDerWaalsContact O-N 3.16Å |
| 1125 | Y | 49.3 | Very low | 51.9 | Low | 50 Ų | 50 | 24.8 Ų | 24.8 | 20% | 0.196 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.3 | -41.4 | 152.2 | -154.5 | -160.1 | 0 | 0 | 0 | 108.7 | H491 F492 R905 L1121 N1122 F1123 L1127 A1128 L1129 | H491-Y1125 HydrophobicContact CB-CE2 4.28Å; H491-Y1125 AromaticContact ND1-CE2 3.92Å; F492-Y1125 WeakPolarHBondContact O-CD1 3.3Å; F492-Y1125 WeakPolarHBondContact O-CE1 3.19Å; F492-Y1125 VanDerWaalsContact O-CG 3.27Å; R905-Y1125 PolarHBondContact NH2-OH 2.9Å; L1121-Y1125 WeakPolarHBondContact O-CA 3.43Å; L1121-Y1125 WeakPolarHBondContact O-CB 3.47Å; L1121-Y1125 PolarHBondContact O-N 2.73Å; N1122-Y1125 CarbonylContact O-C 3.58Å; N1122-Y1125 VanDerWaalsContact O-C 3.29Å; N1122-Y1125 WeakPolarHBondContact O-CB 3.29Å; F1123-Y1125 VanDerWaalsContact C-N 3.35Å; Y1125-L1127 PolarHBondContact O-N 2.62Å; Y1125-A1128 HydrophobicContact CD2-CB 4.49Å; Y1125-A1128 CarbonylContact O-C 3.5Å; Y1125-A1128 WeakPolarHBondContact O-CA 3.17Å; Y1125-A1128 WeakPolarHBondContact O-CB 3.49Å; Y1125-A1128 PolarHBondContact O-N 2.98Å; Y1125-L1129 HydrophobicContact CD1-CD1 3.39Å; Y1125-L1129 HydrophobicContact CD1-CG 4.21Å; Y1125-L1129 HydrophobicContact CD2-CD1 3.5Å; Y1125-L1129 HydrophobicContact CD2-CD2 3.85Å; Y1125-L1129 HydrophobicContact CD2-CG 3.32Å; Y1125-L1129 HydrophobicContact CE1-CD1 3.64Å; Y1125-L1129 HydrophobicContact CE1-CG 4.4Å; Y1125-L1129 HydrophobicContact CE2-CD1 3.73Å; Y1125-L1129 HydrophobicContact CE2-CD2 3.5Å; Y1125-L1129 HydrophobicContact CE2-CG 3.54Å; Y1125-L1129 HydrophobicContact CG-CD1 3.29Å; Y1125-L1129 HydrophobicContact CG-CG 3.65Å; Y1125-L1129 VanDerWaalsContact O-CA 3.31Å; Y1125-L1129 WeakPolarHBondContact O-CA 3.19Å; Y1125-L1129 WeakPolarHBondContact O-CB 3.31Å; Y1125-L1129 VanDerWaalsContact O-CG 3.22Å; Y1125-L1129 WeakPolarHBondContact O-CG 3.18Å; Y1125-L1129 PolarHBondContact O-N 2.99Å |
| 1126 | Y | 53.1 | Low | 51.9 | Low | 18 Ų | 18 | 20.3 Ų | 20.3 | 7% | 0.071 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 22.7 | 164 | -41.3 | -39 | 0 | 0 | 0 | 113.6 | N1122 F1123 L1129 E1131 K1153 M1203 | N1122-Y1126 HydrophobicContact CB-CE1 4.04Å; N1122-Y1126 HydrophobicContact CB-CE2 3.84Å; N1122-Y1126 VanDerWaalsContact CB-CZ 3.48Å; N1122-Y1126 WeakPolarHBondContact CB-OH 3.44Å; N1122-Y1126 WeakPolarHBondContact O-CD1 3.16Å; N1122-Y1126 WeakPolarHBondContact O-CD2 3.28Å; N1122-Y1126 WeakPolarHBondContact O-CE1 3.23Å; N1122-Y1126 PolarHBondContact O-N 2.97Å; F1123-Y1126 HydrophobicContact CB-CD2 3.79Å; F1123-Y1126 HydrophobicContact CB-CE2 4.29Å; F1123-Y1126 HydrophobicContact CB-CG 4.49Å; F1123-Y1126 HydrophobicContact CD2-CD2 4.2Å; F1123-Y1126 HydrophobicContact CG-CD2 4.44Å; F1123-Y1126 CarbonylContact O-C 3.59Å; F1123-Y1126 WeakPolarHBondContact O-CA 3.15Å; F1123-Y1126 WeakPolarHBondContact O-CB 3.36Å; F1123-Y1126 PolarHBondContact O-N 2.94Å; Y1126-L1129 HydrophobicContact CD1-CD1 4.39Å; Y1126-E1131 VanDerWaalsContact CB-N 3.33Å; Y1126-E1131 WeakPolarHBondContact CB-O 3.23Å; Y1126-E1131 HydrophobicContact CD1-CB 3.54Å; Y1126-E1131 HydrophobicContact CD1-CG 3.86Å; Y1126-E1131 HydrophobicContact CD2-CB 3.63Å; Y1126-E1131 WeakPolarHBondContact CD2-O 3.05Å; Y1126-E1131 HydrophobicContact CE1-CB 3.51Å; Y1126-E1131 VanDerWaalsContact CE1-CD 3.43Å; Y1126-E1131 HydrophobicContact CE1-CG 3.43Å; Y1126-E1131 VanDerWaalsContact CE1-CG 3.43Å; Y1126-E1131 WeakPolarHBondContact CE1-OE1 3.3Å; Y1126-E1131 HydrophobicContact CE2-CB 3.69Å; Y1126-E1131 HydrophobicContact CE2-CG 4.3Å; Y1126-E1131 HydrophobicContact CG-CB 3.64Å; Y1126-E1131 HydrophobicContact CG-CG 4.46Å; Y1126-E1131 VanDerWaalsContact CG-N 3.27Å; Y1126-E1131 PolarHBondContact OH-OE1 3.47Å; Y1126-E1131 PolarHBondContact OH-OE2 3.35Å; Y1126-K1153 PolarHBondContact O-NZ 3.48Å; Y1126-M1203 WeakPolarHBondContact O-CG 2.91Å |
| 1127 | L | 46.9 | Very low | 51.7 | Low | 81 Ų | 81 | 25.3 Ų | 25.3 | 42% | 0.424 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -21.4 | 154.5 | -137.7 | 162.7 | 0 | 0 | 0 | 109.1 | F1123 G1124 Y1125 K1153 | F1123-L1127 PolarHBondContact O-N 3.48Å; G1124-L1127 VanDerWaalsContact O-CB 3.31Å; G1124-L1127 WeakPolarHBondContact O-CB 3.38Å; G1124-L1127 PolarHBondContact O-N 3Å; G1124-L1127 VanDerWaalsContact O-N 3.09Å; Y1125-L1127 PolarHBondContact O-N 2.62Å; L1127-K1153 VanDerWaalsContact CB-NZ 3.27Å; L1127-K1153 VanDerWaalsContact CD1-CE 3.41Å; L1127-K1153 VanDerWaalsContact CG-NZ 3.31Å |
| 1128 | A | 40.1 | Very low | 51.5 | Low | 11 Ų | 11 | 23.2 Ų | 23.2 | 9% | 0.091 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -107.8 | 20.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T490 H491 G1124 Y1125 | T490-A1128 HydrophobicContact CG2-CB 4.38Å; T490-A1128 VanDerWaalsContact OG1-CA 3.23Å; T490-A1128 WeakPolarHBondContact OG1-CA 3.25Å; T490-A1128 WeakPolarHBondContact OG1-CB 3.27Å; H491-A1128 PolarHBondContact ND1-O 2.98Å; H491-A1128 VanDerWaalsContact ND1-O 3.11Å; G1124-A1128 PolarHBondContact O-N 2.98Å; G1124-A1128 VanDerWaalsContact O-N 3.16Å; Y1125-A1128 HydrophobicContact CD2-CB 4.49Å; Y1125-A1128 CarbonylContact O-C 3.5Å; Y1125-A1128 WeakPolarHBondContact O-CA 3.17Å; Y1125-A1128 WeakPolarHBondContact O-CB 3.49Å; Y1125-A1128 PolarHBondContact O-N 2.98Å |
| 1129 | L | 39.1 | Very low | 51.5 | Low | 81 Ų | 81 | 21.5 Ų | 21.5 | 42% | 0.424 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -161.9 | -110.4 | -171.3 | -66.9 | 179.7 | 0 | 0 | 0 | 105.8 | Y1125 Y1126 | Y1125-L1129 HydrophobicContact CD1-CD1 3.39Å; Y1125-L1129 HydrophobicContact CD1-CG 4.21Å; Y1125-L1129 HydrophobicContact CD2-CD1 3.5Å; Y1125-L1129 HydrophobicContact CD2-CD2 3.85Å; Y1125-L1129 HydrophobicContact CD2-CG 3.32Å; Y1125-L1129 HydrophobicContact CE1-CD1 3.64Å; Y1125-L1129 HydrophobicContact CE1-CG 4.4Å; Y1125-L1129 HydrophobicContact CE2-CD1 3.73Å; Y1125-L1129 HydrophobicContact CE2-CD2 3.5Å; Y1125-L1129 HydrophobicContact CE2-CG 3.54Å; Y1125-L1129 HydrophobicContact CG-CD1 3.29Å; Y1125-L1129 HydrophobicContact CG-CG 3.65Å; Y1125-L1129 VanDerWaalsContact O-CA 3.31Å; Y1125-L1129 WeakPolarHBondContact O-CA 3.19Å; Y1125-L1129 WeakPolarHBondContact O-CB 3.31Å; Y1125-L1129 VanDerWaalsContact O-CG 3.22Å; Y1125-L1129 WeakPolarHBondContact O-CG 3.18Å; Y1125-L1129 PolarHBondContact O-N 2.99Å; Y1126-L1129 HydrophobicContact CD1-CD1 4.39Å |
| 1130 | G | 36.4 | Very low | 51.3 | Low | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | 147.1 | 85.6 | 151.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | M1203 D1205 | G1130-M1203 VanDerWaalsContact C-CG 3.47Å; G1130-M1203 CarbonylContact O-C 3.59Å; G1130-M1203 WeakPolarHBondContact O-CA 3.09Å; G1130-M1203 VanDerWaalsContact O-CB 3.24Å; G1130-M1203 WeakPolarHBondContact O-CB 3.02Å; G1130-D1205 VanDerWaalsContact O-CB 3.3Å; G1130-D1205 WeakPolarHBondContact O-CB 3.47Å; G1130-D1205 PolarHBondContact O-N 3.42Å; G1130-D1205 VanDerWaalsContact O-N 3.1Å | ||
| 1131 | E | 50.7 | Low | 51.2 | Low | 22 Ų | 22 | 24.5 Ų | 24.5 | 10% | 0.103 | 12% | 0.12 | C | C | . | . | trans | -93.8 | 130.9 | 152.9 | -69.7 | 179.8 | -128.5 | 0 | 0 | 112.2 | I579 Y1126 S1134 M1203 E1206 | I579-E1131 PolarHBondContact N-OE2 3.06Å; Y1126-E1131 VanDerWaalsContact CB-N 3.33Å; Y1126-E1131 WeakPolarHBondContact CB-O 3.23Å; Y1126-E1131 HydrophobicContact CD1-CB 3.54Å; Y1126-E1131 HydrophobicContact CD1-CG 3.86Å; Y1126-E1131 HydrophobicContact CD2-CB 3.63Å; Y1126-E1131 WeakPolarHBondContact CD2-O 3.05Å; Y1126-E1131 HydrophobicContact CE1-CB 3.51Å; Y1126-E1131 VanDerWaalsContact CE1-CD 3.43Å; Y1126-E1131 HydrophobicContact CE1-CG 3.43Å; Y1126-E1131 VanDerWaalsContact CE1-CG 3.43Å; Y1126-E1131 WeakPolarHBondContact CE1-OE1 3.3Å; Y1126-E1131 HydrophobicContact CE2-CB 3.69Å; Y1126-E1131 HydrophobicContact CE2-CG 4.3Å; Y1126-E1131 HydrophobicContact CG-CB 3.64Å; Y1126-E1131 HydrophobicContact CG-CG 4.46Å; Y1126-E1131 VanDerWaalsContact CG-N 3.27Å; Y1126-E1131 PolarHBondContact OH-OE1 3.47Å; Y1126-E1131 PolarHBondContact OH-OE2 3.35Å; E1131-S1134 PolarHBondContact OE2-OG 2.83Å; E1131-M1203 VanDerWaalsContact C-CG 3.47Å; E1131-M1203 VanDerWaalsContact O-CG 3.3Å; E1131-M1203 WeakPolarHBondContact O-CG 2.95Å; E1131-E1206 VanDerWaalsContact CA-OE2 3.22Å; E1131-E1206 WeakPolarHBondContact CA-OE2 3.24Å | ||
| 1132 | M | 52.1 | Low | 50.9 | Low | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -93.8 | -65 | -176 | -146.5 | 112.2 | -140.1 | 0 | 0 | 112.5 | S1134 A1135 K1153 M1154 V1156 T1157 A1198 I1201 M1203 E1206 | M1132-S1134 PolarHBondContact O-N 3.01Å; M1132-A1135 VanDerWaalsContact O-CB 3.26Å; M1132-A1135 WeakPolarHBondContact O-CB 3.34Å; M1132-A1135 PolarHBondContact O-N 2.76Å; M1132-K1153 HydrophobicContact CE-CG 4.45Å; M1132-K1153 WeakPolarHBondContact CG-O 3.37Å; M1132-K1153 VanDerWaalsContact O-O 3.08Å; M1132-M1154 WeakPolarHBondContact O-CB 3.25Å; M1132-V1156 HydrophobicContact CE-CB 4.29Å; M1132-V1156 HydrophobicContact CE-CG1 4.39Å; M1132-V1156 HydrophobicContact CE-CG2 3.19Å; M1132-V1156 HydrophobicContact CG-CB 3.64Å; M1132-V1156 HydrophobicContact CG-CG1 3.71Å; M1132-V1156 HydrophobicContact CG-CG2 3.54Å; M1132-V1156 HydrophobicContact SD-CB 4.06Å; M1132-V1156 HydrophobicContact SD-CG1 3.75Å; M1132-V1156 HydrophobicContact SD-CG2 3.58Å; M1132-V1156 VanDerWaalsContact SD-CG2 3.58Å; M1132-T1157 HydrophobicContact CB-CG2 4.1Å; M1132-T1157 HydrophobicContact CG-CG2 4.13Å; M1132-T1157 WeakPolarHBondContact CG-OG1 3.43Å; M1132-A1198 HydrophobicContact CE-CB 4.44Å; M1132-A1198 WeakPolarHBondContact CE-O 3.13Å; M1132-A1198 WeakPolarHBondContact SD-CA 3.03Å; M1132-A1198 HydrophobicContact SD-CB 3.41Å; M1132-A1198 WeakPolarHBondContact SD-CB 3.12Å; M1132-A1198 VanDerWaalsContact SD-O 3.39Å; M1132-I1201 HydrophobicContact CE-CB 3.82Å; M1132-I1201 HydrophobicContact CE-CD1 4.04Å; M1132-I1201 HydrophobicContact CE-CG1 4.32Å; M1132-M1203 VanDerWaalsContact CA-CE 3.46Å; M1132-M1203 HydrophobicContact CB-CB 3.67Å; M1132-M1203 HydrophobicContact CB-CE 3.87Å; M1132-M1203 HydrophobicContact CE-CB 4.2Å; M1132-M1203 HydrophobicContact CE-CE 3.13Å; M1132-M1203 HydrophobicContact CE-SD 3.47Å; M1132-M1203 WeakPolarHBondContact CE-SD 3.39Å; M1132-M1203 HydrophobicContact CG-CB 4.04Å; M1132-M1203 HydrophobicContact CG-CE 3.48Å; M1132-M1203 VanDerWaalsContact CG-CE 3.48Å; M1132-M1203 HydrophobicContact SD-CB 3.44Å; M1132-M1203 WeakPolarHBondContact SD-CB 3.25Å; M1132-M1203 HydrophobicContact SD-CE 3.51Å; M1132-M1203 VanDerWaalsContact SD-CE 3.51Å; M1132-M1203 HydrophobicContact SD-CG 4.3Å; M1132-M1203 HydrophobicContact SD-SD 3.97Å; M1132-E1206 HydrophobicContact CB-CB 3.93Å; M1132-E1206 PolarHBondContact N-OE1 2.66Å; M1132-E1206 PolarHBondContact N-OE2 3.02Å | ||
| 1133 | D | 49.1 | Very low | 50.9 | Low | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 10.3 | -158.2 | -145.2 | 24.1 | 0 | 0 | 0 | 113.7 | S575 T576 G577 F578 M1154 T1157 T1158 E1206 | S575-D1133 WeakPolarHBondContact CB-OD1 3.43Å; S575-D1133 PolarHBondContact OG-OD1 2.69Å; T576-D1133 CarbonylContact C-O 3.57Å; T576-D1133 VanDerWaalsContact CA-CG 3.41Å; T576-D1133 WeakPolarHBondContact CA-OD2 3.46Å; T576-D1133 WeakPolarHBondContact CB-OD2 3.39Å; T576-D1133 PolarHBondContact N-O 2.89Å; T576-D1133 PolarHBondContact N-OD1 2.75Å; T576-D1133 PolarHBondContact N-OD2 2.94Å; T576-D1133 PolarHBondContact OG1-OD2 3.39Å; G577-D1133 PolarHBondContact N-O 3.22Å; G577-D1133 PolarHBondContact N-OD2 3.21Å; F578-D1133 WeakPolarHBondContact CD2-O 3.08Å; D1133-M1154 HydrophobicContact CB-CG 4.16Å; D1133-M1154 WeakPolarHBondContact O-CE 2.81Å; D1133-M1154 WeakPolarHBondContact OD1-CG 3.4Å; D1133-T1157 WeakPolarHBondContact CA-OG1 3.19Å; D1133-T1157 HydrophobicContact CB-CG2 4.08Å; D1133-T1157 WeakPolarHBondContact CB-OG1 3.21Å; D1133-T1157 VanDerWaalsContact CG-C 3.47Å; D1133-T1157 VanDerWaalsContact OD1-C 3.31Å; D1133-T1157 VanDerWaalsContact OD1-CB 3.27Å; D1133-T1157 WeakPolarHBondContact OD1-CB 2.92Å; D1133-T1157 PolarHBondContact OD1-OG1 2.8Å; D1133-T1157 WeakPolarHBondContact OD2-CB 2.74Å; D1133-T1158 PolarHBondContact OD1-N 3.12Å; D1133-E1206 WeakPolarHBondContact CA-OE1 3.09Å; D1133-E1206 HydrophobicContact CB-CB 4.01Å; D1133-E1206 HydrophobicContact CB-CG 3.87Å; D1133-E1206 PolarHBondContact N-OE1 3.25Å |
| 1134 | S | 51.1 | Low | 51 | Low | 16 Ų | 16 | 33 Ų | 33 | 11% | 0.112 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -19.7 | 162.4 | -71.5 | 0 | 0 | 0 | 0 | 113.6 | F578 E1131 M1132 M1154 | F578-S1134 WeakPolarHBondContact CA-OG 3.19Å; F578-S1134 PolarHBondContact N-OG 3Å; E1131-S1134 PolarHBondContact OE2-OG 2.83Å; M1132-S1134 PolarHBondContact O-N 3.01Å; S1134-M1154 WeakPolarHBondContact O-CE 3.42Å |
| 1135 | A | 53.8 | Low | 51 | Low | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -79.3 | -77.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | F1123 M1132 R1137 A1138 M1139 K1153 M1154 | F1123-A1135 HydrophobicContact CD2-CB 3.59Å; F1123-A1135 HydrophobicContact CE2-CB 3.45Å; F1123-A1135 VanDerWaalsContact CE2-CB 3.45Å; M1132-A1135 VanDerWaalsContact O-CB 3.26Å; M1132-A1135 WeakPolarHBondContact O-CB 3.34Å; M1132-A1135 PolarHBondContact O-N 2.76Å; A1135-R1137 CarbonylContact O-C 3.56Å; A1135-R1137 PolarHBondContact O-N 2.77Å; A1135-A1138 WeakPolarHBondContact O-CA 3.49Å; A1135-A1138 WeakPolarHBondContact O-CB 3.32Å; A1135-A1138 PolarHBondContact O-N 2.73Å; A1135-M1139 HydrophobicContact CB-CE 3.2Å; A1135-M1139 HydrophobicContact CB-CG 3.7Å; A1135-M1139 HydrophobicContact CB-SD 3.37Å; A1135-M1139 WeakPolarHBondContact CB-SD 3.31Å; A1135-M1139 WeakPolarHBondContact O-CB 3.37Å; A1135-M1139 WeakPolarHBondContact O-CG 3.43Å; A1135-M1139 PolarHBondContact O-N 3.21Å; A1135-K1153 WeakPolarHBondContact CB-O 3.5Å; A1135-M1154 HydrophobicContact CB-CB 4.02Å |
| 1136 | F | 54.3 | Low | 51.4 | Low | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -51.3 | 31.9 | -177.4 | 162.9 | -101.8 | 0 | 0 | 0 | 115.8 | Q573 N574 S575 M1139 K1140 M1151 M1154 C1155 T1158 V1163 C1167 | Q573-F1136 CarbonylContact C-O 3.56Å; Q573-F1136 VanDerWaalsContact C-O 3.3Å; Q573-F1136 HydrophobicContact CB-CE2 3.87Å; Q573-F1136 HydrophobicContact CB-CZ 4.16Å; Q573-F1136 WeakPolarHBondContact O-CD2 3.25Å; Q573-F1136 WeakPolarHBondContact O-CE2 3.39Å; Q573-F1136 VanDerWaalsContact O-CG 3.28Å; Q573-F1136 WeakPolarHBondContact O-CG 3.34Å; Q573-F1136 VanDerWaalsContact O-O 3.06Å; N574-F1136 CarbonylContact C-O 3.55Å; N574-F1136 VanDerWaalsContact CA-O 3.3Å; N574-F1136 WeakPolarHBondContact CA-O 3.29Å; N574-F1136 HydrophobicContact CB-CD1 4.19Å; N574-F1136 HydrophobicContact CB-CE1 3.49Å; N574-F1136 VanDerWaalsContact CB-CE1 3.49Å; N574-F1136 HydrophobicContact CB-CZ 3.75Å; N574-F1136 VanDerWaalsContact N-CG 3.34Å; N574-F1136 PolarHBondContact N-O 2.96Å; S575-F1136 PolarHBondContact N-O 3.18Å; S575-F1136 WeakPolarHBondContact OG-CD1 3.31Å; F1136-M1139 WeakPolarHBondContact CA-SD 3.46Å; F1136-M1139 HydrophobicContact CB-CB 4.27Å; F1136-M1139 HydrophobicContact CB-SD 3.69Å; F1136-M1139 PolarHBondContact N-SD 3.48Å; F1136-K1140 WeakPolarHBondContact O-CG 3.4Å; F1136-M1151 WeakPolarHBondContact CB-O 3.46Å; F1136-M1151 HydrophobicContact CD2-CE 3.96Å; F1136-M1151 HydrophobicContact CD2-CG 3.69Å; F1136-M1151 WeakPolarHBondContact CD2-O 3.4Å; F1136-M1151 HydrophobicContact CE2-CE 3.7Å; F1136-M1151 HydrophobicContact CE2-CG 4.33Å; F1136-M1154 WeakPolarHBondContact CA-SD 3.15Å; F1136-M1154 VanDerWaalsContact CB-CA 3.44Å; F1136-M1154 HydrophobicContact CB-CB 3.43Å; F1136-M1154 VanDerWaalsContact CB-CB 3.43Å; F1136-M1154 HydrophobicContact CB-CE 4.48Å; F1136-M1154 HydrophobicContact CB-CG 3.42Å; F1136-M1154 VanDerWaalsContact CB-CG 3.42Å; F1136-M1154 HydrophobicContact CB-SD 3.19Å; F1136-M1154 WeakPolarHBondContact CB-SD 2.97Å; F1136-M1154 VanDerWaalsContact CD1-C 3.43Å; F1136-M1154 HydrophobicContact CD1-CG 3.93Å; F1136-M1154 VanDerWaalsContact CD1-O 3.25Å; F1136-M1154 WeakPolarHBondContact CD1-O 3.31Å; F1136-M1154 HydrophobicContact CD1-SD 3.61Å; F1136-M1154 HydrophobicContact CG-CB 4.48Å; F1136-M1154 HydrophobicContact CG-CG 4.19Å; F1136-M1154 HydrophobicContact CG-SD 3.83Å; F1136-M1154 PolarHBondContact N-SD 2.82Å; F1136-C1155 HydrophobicContact CD1-CB 4.45Å; F1136-C1155 HydrophobicContact CD2-CB 3.89Å; F1136-C1155 HydrophobicContact CE1-CB 4.36Å; F1136-C1155 HydrophobicContact CE2-CB 3.83Å; F1136-C1155 WeakPolarHBondContact CE2-SG 3.35Å; F1136-C1155 HydrophobicContact CG-CB 4.26Å; F1136-C1155 HydrophobicContact CZ-CB 4.07Å; F1136-C1155 WeakPolarHBondContact CZ-SG 3.16Å; F1136-T1158 WeakPolarHBondContact CE1-OG1 3.47Å; F1136-V1163 HydrophobicContact CE2-CB 4.49Å; F1136-V1163 HydrophobicContact CE2-CG1 3.91Å; F1136-V1163 HydrophobicContact CZ-CB 4Å; F1136-V1163 HydrophobicContact CZ-CG1 3.86Å; F1136-C1167 WeakPolarHBondContact CE2-SG 3.44Å |
| 1137 | R | 50.7 | Low | 51.6 | Low | 107 Ų | 107 | 36 Ų | 36 | 40% | 0.404 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -140.5 | -31.2 | 168 | -76 | -162.8 | -178 | 141.1 | -5.5 | 112.8 | N574 S575 A1135 K1140 M1154 | N574-R1137 VanDerWaalsContact C-CG 3.47Å; N574-R1137 PolarHBondContact O-NE 3.15Å; N574-R1137 PolarHBondContact O-NH2 3.43Å; S575-R1137 VanDerWaalsContact N-CG 3.32Å; S575-R1137 WeakPolarHBondContact O-CD 3.46Å; S575-R1137 WeakPolarHBondContact O-CG 3.26Å; S575-R1137 PolarHBondContact O-NE 2.79Å; S575-R1137 PolarHBondContact O-NH1 3.17Å; A1135-R1137 CarbonylContact O-C 3.56Å; A1135-R1137 PolarHBondContact O-N 2.77Å; R1137-K1140 VanDerWaalsContact CA-CB 3.5Å; R1137-K1140 HydrophobicContact CG-CG 4.32Å; R1137-K1140 WeakPolarHBondContact O-CB 3.17Å; R1137-M1154 HydrophobicContact CB-CE 3.73Å; R1137-M1154 HydrophobicContact CB-SD 4.35Å; R1137-M1154 HydrophobicContact CG-CE 3.86Å; R1137-M1154 HydrophobicContact CG-SD 4Å; R1137-M1154 VanDerWaalsContact N-CE 3.34Å; R1137-M1154 PolarHBondContact N-SD 3.03Å; R1137-M1154 VanDerWaalsContact N-SD 3.45Å |
| 1138 | A | 57.4 | Low | 52.3 | Low | 6 Ų | 6 | 34 Ų | 34 | 5% | 0.05 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.6 | -68.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | T1116 A1119 A1135 K1140 L1141 I1142 | T1116-A1138 HydrophobicContact CG2-CB 3.9Å; A1119-A1138 HydrophobicContact CB-CB 4.03Å; A1135-A1138 WeakPolarHBondContact O-CA 3.49Å; A1135-A1138 WeakPolarHBondContact O-CB 3.32Å; A1135-A1138 PolarHBondContact O-N 2.73Å; A1138-K1140 PolarHBondContact O-N 3.48Å; A1138-L1141 WeakPolarHBondContact O-CA 3.44Å; A1138-L1141 WeakPolarHBondContact O-CB 3Å; A1138-L1141 PolarHBondContact O-N 2.9Å; A1138-I1142 VanDerWaalsContact O-CG1 3.28Å; A1138-I1142 WeakPolarHBondContact O-CG1 3.39Å |
| 1139 | M | 56 | Low | 53.2 | Low | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -38.3 | -27.6 | 156 | -68.5 | -166.2 | 163.9 | 0 | 0 | 118.8 | F1123 A1135 F1136 L1141 I1142 Q1149 N1150 M1151 K1153 | F1123-M1139 HydrophobicContact CD2-CE 4.34Å; F1123-M1139 HydrophobicContact CE2-CE 3.26Å; F1123-M1139 HydrophobicContact CZ-CE 3.51Å; A1135-M1139 HydrophobicContact CB-CE 3.2Å; A1135-M1139 HydrophobicContact CB-CG 3.7Å; A1135-M1139 HydrophobicContact CB-SD 3.37Å; A1135-M1139 WeakPolarHBondContact CB-SD 3.31Å; A1135-M1139 WeakPolarHBondContact O-CB 3.37Å; A1135-M1139 WeakPolarHBondContact O-CG 3.43Å; A1135-M1139 PolarHBondContact O-N 3.21Å; F1136-M1139 WeakPolarHBondContact CA-SD 3.46Å; F1136-M1139 HydrophobicContact CB-CB 4.27Å; F1136-M1139 HydrophobicContact CB-SD 3.69Å; F1136-M1139 PolarHBondContact N-SD 3.48Å; M1139-L1141 PolarHBondContact O-N 3.03Å; M1139-L1141 VanDerWaalsContact O-N 3.1Å; M1139-I1142 VanDerWaalsContact CA-CG1 3.48Å; M1139-I1142 HydrophobicContact CB-CD1 4.43Å; M1139-Q1149 WeakPolarHBondContact CE-O 3.35Å; M1139-N1150 VanDerWaalsContact CA-O 3.29Å; M1139-N1150 WeakPolarHBondContact CA-O 3.26Å; M1139-N1150 WeakPolarHBondContact CB-O 3.02Å; M1139-N1150 VanDerWaalsContact CE-C 3.44Å; M1139-N1150 HydrophobicContact CE-CB 4.3Å; M1139-N1150 HydrophobicContact CG-CB 4.3Å; M1139-N1150 WeakPolarHBondContact CG-O 3.46Å; M1139-N1150 VanDerWaalsContact SD-C 3.54Å; M1139-M1151 HydrophobicContact CB-CB 4.43Å; M1139-M1151 HydrophobicContact CB-CG 4.4Å; M1139-M1151 WeakPolarHBondContact O-CG 3.47Å; M1139-M1151 WeakPolarHBondContact SD-CA 3.22Å; M1139-M1151 VanDerWaalsContact SD-O 3.36Å; M1139-K1153 VanDerWaalsContact CE-CA 3.43Å; M1139-K1153 HydrophobicContact CE-CB 3.04Å; M1139-K1153 HydrophobicContact CE-CG 4.33Å; M1139-K1153 HydrophobicContact SD-CB 4.33Å |
| 1140 | K | 55 | Low | 54.1 | Low | 48 Ų | 48 | 33.8 Ų | 33.8 | 21% | 0.209 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -43.5 | -49.8 | 170.2 | -112.8 | -156.1 | 134.5 | 173.5 | 0 | 106.6 | I571 N572 Q573 N574 F1136 R1137 A1138 | I571-K1140 CarbonylContact C-O 3.55Å; N572-K1140 CarbonylContact C-O 3.58Å; N572-K1140 WeakPolarHBondContact CA-O 3.49Å; N572-K1140 HydrophobicContact CB-CD 4.38Å; N572-K1140 PolarHBondContact N-O 3.04Å; N572-K1140 VanDerWaalsContact OD1-CD 3.31Å; N572-K1140 WeakPolarHBondContact OD1-CD 3.32Å; N572-K1140 WeakPolarHBondContact OD1-CE 3.46Å; N572-K1140 PolarHBondContact OD1-NZ 2.91Å; Q573-K1140 VanDerWaalsContact CA-CG 3.45Å; Q573-K1140 PolarHBondContact N-O 2.77Å; Q573-K1140 WeakPolarHBondContact O-CA 3.42Å; Q573-K1140 WeakPolarHBondContact O-CG 3.47Å; N574-K1140 WeakPolarHBondContact OD1-CE 3.28Å; N574-K1140 PolarHBondContact OD1-NZ 3.36Å; F1136-K1140 WeakPolarHBondContact O-CG 3.4Å; R1137-K1140 VanDerWaalsContact CA-CB 3.5Å; R1137-K1140 HydrophobicContact CG-CG 4.32Å; R1137-K1140 WeakPolarHBondContact O-CB 3.17Å; A1138-K1140 PolarHBondContact O-N 3.48Å |
| 1141 | L | 53.8 | Low | 55 | Low | 35 Ų | 35 | 33.8 Ų | 33.8 | 18% | 0.183 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -106.3 | 51 | -155.6 | -64 | -178.9 | 0 | 0 | 0 | 109.2 | K569 D570 I571 A1138 M1139 | K569-L1141 HydrophobicContact CB-CB 4.26Å; K569-L1141 HydrophobicContact CB-CD1 3.57Å; K569-L1141 HydrophobicContact CD-CD1 4.33Å; D570-L1141 VanDerWaalsContact C-CB 3.45Å; D570-L1141 CarbonylContact C-O 3.57Å; D570-L1141 PolarHBondContact N-O 3.47Å; D570-L1141 VanDerWaalsContact N-O 3.12Å; D570-L1141 CarbonylContact O-C 3.5Å; I571-L1141 VanDerWaalsContact N-CD2 3.33Å; A1138-L1141 WeakPolarHBondContact O-CA 3.44Å; A1138-L1141 WeakPolarHBondContact O-CB 3Å; A1138-L1141 PolarHBondContact O-N 2.9Å; M1139-L1141 PolarHBondContact O-N 3.03Å; M1139-L1141 VanDerWaalsContact O-N 3.1Å |
| 1142 | I | 56.7 | Low | 55.7 | Low | 27 Ų | 27 | 32.7 Ų | 32.7 | 14% | 0.138 | 16% | 0.161 | C | C | . | . | trans | -157.8 | 145.6 | 178.8 | -2.4 | 156.8 | 0 | 0 | 0 | 111.9 | D570 L1109 T1116 A1138 M1139 V1147 N1150 | D570-I1142 PolarHBondContact O-N 2.89Å; L1109-I1142 HydrophobicContact CD2-CD1 4.04Å; L1109-I1142 HydrophobicContact CD2-CG2 4.05Å; T1116-I1142 HydrophobicContact CG2-CD1 3.28Å; T1116-I1142 HydrophobicContact CG2-CG1 4.02Å; A1138-I1142 VanDerWaalsContact O-CG1 3.28Å; A1138-I1142 WeakPolarHBondContact O-CG1 3.39Å; M1139-I1142 VanDerWaalsContact CA-CG1 3.48Å; M1139-I1142 HydrophobicContact CB-CD1 4.43Å; I1142-V1147 HydrophobicContact CB-CB 4.26Å; I1142-V1147 HydrophobicContact CB-CG1 3.34Å; I1142-V1147 HydrophobicContact CB-CG2 3.96Å; I1142-V1147 HydrophobicContact CD1-CG2 3.87Å; I1142-V1147 HydrophobicContact CG1-CG1 4.46Å; I1142-V1147 HydrophobicContact CG2-CB 4.42Å; I1142-V1147 HydrophobicContact CG2-CG1 3.74Å; I1142-V1147 HydrophobicContact CG2-CG2 3.85Å; I1142-V1147 WeakPolarHBondContact O-CG1 3.11Å; I1142-N1150 HydrophobicContact CD1-CB 4.39Å | ||
| 1143 | K | 53.1 | Low | 56 | Low | 140 Ų | 140 | 32.7 Ų | 32.7 | 61% | 0.609 | 16% | 0.161 | S | C | * | . | trans | -111.7 | -27.7 | -168.1 | -81.3 | -176.7 | 174.8 | 168.2 | 0 | 121.4 | I571 V1147 W1148 | I571-K1143 HydrophobicContact CB-CG 4.24Å; I571-K1143 HydrophobicContact CD1-CD 3.95Å; I571-K1143 HydrophobicContact CD1-CG 4.25Å; I571-K1143 HydrophobicContact CG2-CD 4.44Å; I571-K1143 HydrophobicContact CG2-CG 4.13Å; K1143-V1147 VanDerWaalsContact C-CG1 3.46Å; K1143-W1148 PolarHBondContact O-NE1 3.12Å | ||
| 1144 | S | 56.9 | Low | 56.4 | Low | 40 Ų | 40 | 32.6 Ų | 32.6 | 28% | 0.28 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -60 | 157 | -179.7 | 138.4 | 0 | 0 | 0 | 0 | 113.3 | I1146 V1147 W1148 | S1144-I1146 PolarHBondContact OG-N 2.82Å; S1144-V1147 CarbonylContact O-C 3.52Å; S1144-V1147 WeakPolarHBondContact O-CA 3.3Å; S1144-V1147 WeakPolarHBondContact O-CB 3.22Å; S1144-V1147 WeakPolarHBondContact O-CG1 3.39Å; S1144-V1147 PolarHBondContact O-N 2.73Å; S1144-W1148 PolarHBondContact O-N 3.17Å |
| 1145 | P | 56 | Low | 57 | Low | 81 Ų | 81 | 31.8 Ų | 31.8 | 53% | 0.526 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -30.1 | 178.4 | 27.9 | -34.8 | 0 | 0 | 0 | 114.8 | V1147 W1148 Q1149 | P1145-V1147 PolarHBondContact O-N 3.38Å; P1145-W1148 CarbonylContact O-C 3.53Å; P1145-W1148 PolarHBondContact O-N 2.89Å; P1145-Q1149 PolarHBondContact O-N 2.93Å |
| 1146 | I | 56.5 | Low | 57.5 | Low | 58 Ų | 58 | 31.8 Ų | 31.8 | 30% | 0.297 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -54.3 | -25.5 | 162.2 | -64.9 | 168 | 0 | 0 | 0 | 110.1 | I1107 M1120 S1144 Q1149 N1150 | I1107-I1146 HydrophobicContact CB-CD1 4.12Å; I1107-I1146 HydrophobicContact CG2-CD1 4.13Å; I1107-I1146 WeakPolarHBondContact O-CD1 3.29Å; M1120-I1146 HydrophobicContact CE-CG2 3.95Å; S1144-I1146 PolarHBondContact OG-N 2.82Å; I1146-Q1149 CarbonylContact O-C 3.21Å; I1146-Q1149 WeakPolarHBondContact O-CB 3.34Å; I1146-Q1149 PolarHBondContact O-N 2.85Å; I1146-N1150 WeakPolarHBondContact O-CB 2.95Å; I1146-N1150 PolarHBondContact O-N 3.47Å; I1146-N1150 PolarHBondContact O-OD1 3.11Å |
| 1147 | V | 56.8 | Low | 57.8 | Low | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -105.6 | 6 | -177.7 | 137.2 | 0 | 0 | 0 | 0 | 113.8 | L1109 I1142 K1143 S1144 P1145 N1150 M1151 | L1109-V1147 HydrophobicContact CD1-CG2 3.63Å; L1109-V1147 HydrophobicContact CD2-CG2 3.81Å; L1109-V1147 HydrophobicContact CG-CG2 3.77Å; I1142-V1147 HydrophobicContact CB-CB 4.26Å; I1142-V1147 HydrophobicContact CB-CG1 3.34Å; I1142-V1147 HydrophobicContact CB-CG2 3.96Å; I1142-V1147 HydrophobicContact CD1-CG2 3.87Å; I1142-V1147 HydrophobicContact CG1-CG1 4.46Å; I1142-V1147 HydrophobicContact CG2-CB 4.42Å; I1142-V1147 HydrophobicContact CG2-CG1 3.74Å; I1142-V1147 HydrophobicContact CG2-CG2 3.85Å; I1142-V1147 WeakPolarHBondContact O-CG1 3.11Å; K1143-V1147 VanDerWaalsContact C-CG1 3.46Å; S1144-V1147 CarbonylContact O-C 3.52Å; S1144-V1147 WeakPolarHBondContact O-CA 3.3Å; S1144-V1147 WeakPolarHBondContact O-CB 3.22Å; S1144-V1147 WeakPolarHBondContact O-CG1 3.39Å; S1144-V1147 PolarHBondContact O-N 2.73Å; P1145-V1147 PolarHBondContact O-N 3.38Å; V1147-N1150 CarbonylContact C-O 3.3Å; V1147-N1150 HydrophobicContact CB-CB 4.22Å; V1147-N1150 HydrophobicContact CG2-CB 3.7Å; V1147-N1150 CarbonylContact O-C 3.39Å; V1147-M1151 WeakPolarHBondContact O-CB 3.43Å; V1147-M1151 PolarHBondContact O-N 2.67Å; V1147-M1151 VanDerWaalsContact O-N 3.07Å |
| 1148 | W | 63.1 | Low | 58 | Low | 38 Ų | 38 | 28.8 Ų | 28.8 | 14% | 0.144 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -101.6 | -12.1 | 147.4 | -64 | 82.8 | 0 | 0 | 0 | 110.2 | K1143 S1144 P1145 M1151 T1152 K1170 I1171 | K1143-W1148 PolarHBondContact O-NE1 3.12Å; S1144-W1148 PolarHBondContact O-N 3.17Å; P1145-W1148 CarbonylContact O-C 3.53Å; P1145-W1148 PolarHBondContact O-N 2.89Å; W1148-M1151 VanDerWaalsContact CA-N 3.35Å; W1148-M1151 HydrophobicContact CB-CB 4.26Å; W1148-M1151 HydrophobicContact CD2-CB 3.96Å; W1148-M1151 HydrophobicContact CD2-CG 4.49Å; W1148-M1151 HydrophobicContact CD2-SD 4Å; W1148-M1151 HydrophobicContact CE3-CB 3.83Å; W1148-M1151 HydrophobicContact CE3-CE 3.74Å; W1148-M1151 HydrophobicContact CE3-CG 3.98Å; W1148-M1151 HydrophobicContact CE3-SD 3.5Å; W1148-M1151 VanDerWaalsContact CE3-SD 3.5Å; W1148-M1151 HydrophobicContact CG-CB 4.2Å; W1148-M1151 HydrophobicContact CH2-CE 3.64Å; W1148-M1151 HydrophobicContact CH2-SD 3.56Å; W1148-M1151 VanDerWaalsContact CH2-SD 3.56Å; W1148-M1151 HydrophobicContact CZ2-SD 4.01Å; W1148-M1151 HydrophobicContact CZ3-CE 3.12Å; W1148-M1151 HydrophobicContact CZ3-CG 4.3Å; W1148-M1151 HydrophobicContact CZ3-SD 3.32Å; W1148-M1151 WeakPolarHBondContact CZ3-SD 3.16Å; W1148-M1151 CarbonylContact O-C 3.6Å; W1148-M1151 PolarHBondContact O-N 2.91Å; W1148-T1152 WeakPolarHBondContact O-CB 3.03Å; W1148-T1152 PolarHBondContact O-N 2.94Å; W1148-T1152 PolarHBondContact O-OG1 3.01Å; W1148-K1170 HydrophobicContact CB-CB 3.73Å; W1148-K1170 WeakPolarHBondContact CB-O 3.27Å; W1148-K1170 HydrophobicContact CD2-CB 3.3Å; W1148-K1170 HydrophobicContact CD2-CG 3.97Å; W1148-K1170 HydrophobicContact CE3-CB 3.25Å; W1148-K1170 HydrophobicContact CE3-CG 3.66Å; W1148-K1170 HydrophobicContact CG-CB 3.46Å; W1148-K1170 VanDerWaalsContact CG-CB 3.46Å; W1148-K1170 HydrophobicContact CH2-CG 4.3Å; W1148-K1170 HydrophobicContact CZ3-CB 3.94Å; W1148-K1170 HydrophobicContact CZ3-CG 3.78Å; W1148-I1171 HydrophobicContact CB-CG1 4.18Å; W1148-I1171 VanDerWaalsContact CB-N 3.31Å; W1148-I1171 WeakPolarHBondContact O-CG1 3.33Å |
| 1149 | Q | 58.4 | Low | 58.4 | Low | 83 Ų | 83 | 29.4 Ų | 29.4 | 39% | 0.388 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -72.6 | -49.5 | 159.9 | -143.7 | 170.6 | 15.8 | 0 | 0 | 107.4 | M1139 P1145 I1146 M1151 T1152 K1153 I1171 I1201 | M1139-Q1149 WeakPolarHBondContact CE-O 3.35Å; P1145-Q1149 PolarHBondContact O-N 2.93Å; I1146-Q1149 CarbonylContact O-C 3.21Å; I1146-Q1149 WeakPolarHBondContact O-CB 3.34Å; I1146-Q1149 PolarHBondContact O-N 2.85Å; Q1149-M1151 PolarHBondContact O-N 3.35Å; Q1149-T1152 PolarHBondContact O-N 3.22Å; Q1149-K1153 WeakPolarHBondContact O-CB 3.45Å; Q1149-K1153 PolarHBondContact O-N 3.22Å; Q1149-I1171 HydrophobicContact CB-CD1 4.4Å; Q1149-I1171 HydrophobicContact CB-CG1 4.21Å; Q1149-I1171 HydrophobicContact CB-CG2 4.25Å; Q1149-I1171 HydrophobicContact CG-CD1 4.14Å; Q1149-I1171 HydrophobicContact CG-CG1 4.44Å; Q1149-I1171 HydrophobicContact CG-CG2 4.29Å; Q1149-I1201 HydrophobicContact CG-CG2 4.48Å |
| 1150 | N | 58.9 | Low | 58.5 | Low | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.2 | 34.6 | 150.1 | -78.1 | 69.4 | 0 | 0 | 0 | 114.3 | L1109 M1120 F1123 M1139 I1142 I1146 V1147 | L1109-N1150 HydrophobicContact CD1-CB 4.17Å; M1120-N1150 WeakPolarHBondContact CE-OD1 3.24Å; M1120-N1150 PolarHBondContact SD-ND2 3.49Å; M1120-N1150 PolarHBondContact SD-OD1 3.42Å; F1123-N1150 WeakPolarHBondContact CD1-ND2 3.24Å; F1123-N1150 HydrophobicContact CE1-CB 4.5Å; F1123-N1150 WeakPolarHBondContact CE1-ND2 3.07Å; F1123-N1150 WeakPolarHBondContact CE1-OD1 3.11Å; F1123-N1150 HydrophobicContact CZ-CB 4.33Å; F1123-N1150 VanDerWaalsContact CZ-ND2 3.26Å; F1123-N1150 WeakPolarHBondContact CZ-ND2 3.32Å; F1123-N1150 VanDerWaalsContact CZ-OD1 3.22Å; F1123-N1150 WeakPolarHBondContact CZ-OD1 3.14Å; M1139-N1150 VanDerWaalsContact CA-O 3.29Å; M1139-N1150 WeakPolarHBondContact CA-O 3.26Å; M1139-N1150 WeakPolarHBondContact CB-O 3.02Å; M1139-N1150 VanDerWaalsContact CE-C 3.44Å; M1139-N1150 HydrophobicContact CE-CB 4.3Å; M1139-N1150 HydrophobicContact CG-CB 4.3Å; M1139-N1150 WeakPolarHBondContact CG-O 3.46Å; M1139-N1150 VanDerWaalsContact SD-C 3.54Å; I1142-N1150 HydrophobicContact CD1-CB 4.39Å; I1146-N1150 WeakPolarHBondContact O-CB 2.95Å; I1146-N1150 PolarHBondContact O-N 3.47Å; I1146-N1150 PolarHBondContact O-OD1 3.11Å; V1147-N1150 CarbonylContact C-O 3.3Å; V1147-N1150 HydrophobicContact CB-CB 4.22Å; V1147-N1150 HydrophobicContact CG2-CB 3.7Å; V1147-N1150 CarbonylContact O-C 3.39Å |
| 1151 | M | 55.3 | Low | 59.2 | Low | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -138 | -30 | 151.9 | -165.6 | 168.6 | 135.3 | 0 | 0 | 113.9 | Q573 F1136 M1139 V1147 W1148 Q1149 | Q573-M1151 HydrophobicContact CB-CE 3.58Å; F1136-M1151 WeakPolarHBondContact CB-O 3.46Å; F1136-M1151 HydrophobicContact CD2-CE 3.96Å; F1136-M1151 HydrophobicContact CD2-CG 3.69Å; F1136-M1151 WeakPolarHBondContact CD2-O 3.4Å; F1136-M1151 HydrophobicContact CE2-CE 3.7Å; F1136-M1151 HydrophobicContact CE2-CG 4.33Å; M1139-M1151 HydrophobicContact CB-CB 4.43Å; M1139-M1151 HydrophobicContact CB-CG 4.4Å; M1139-M1151 WeakPolarHBondContact O-CG 3.47Å; M1139-M1151 WeakPolarHBondContact SD-CA 3.22Å; M1139-M1151 VanDerWaalsContact SD-O 3.36Å; V1147-M1151 WeakPolarHBondContact O-CB 3.43Å; V1147-M1151 PolarHBondContact O-N 2.67Å; V1147-M1151 VanDerWaalsContact O-N 3.07Å; W1148-M1151 VanDerWaalsContact CA-N 3.35Å; W1148-M1151 HydrophobicContact CB-CB 4.26Å; W1148-M1151 HydrophobicContact CD2-CB 3.96Å; W1148-M1151 HydrophobicContact CD2-CG 4.49Å; W1148-M1151 HydrophobicContact CD2-SD 4Å; W1148-M1151 HydrophobicContact CE3-CB 3.83Å; W1148-M1151 HydrophobicContact CE3-CE 3.74Å; W1148-M1151 HydrophobicContact CE3-CG 3.98Å; W1148-M1151 HydrophobicContact CE3-SD 3.5Å; W1148-M1151 VanDerWaalsContact CE3-SD 3.5Å; W1148-M1151 HydrophobicContact CG-CB 4.2Å; W1148-M1151 HydrophobicContact CH2-CE 3.64Å; W1148-M1151 HydrophobicContact CH2-SD 3.56Å; W1148-M1151 VanDerWaalsContact CH2-SD 3.56Å; W1148-M1151 HydrophobicContact CZ2-SD 4.01Å; W1148-M1151 HydrophobicContact CZ3-CE 3.12Å; W1148-M1151 HydrophobicContact CZ3-CG 4.3Å; W1148-M1151 HydrophobicContact CZ3-SD 3.32Å; W1148-M1151 WeakPolarHBondContact CZ3-SD 3.16Å; W1148-M1151 CarbonylContact O-C 3.6Å; W1148-M1151 PolarHBondContact O-N 2.91Å; Q1149-M1151 PolarHBondContact O-N 3.35Å |
| 1152 | T | 64.5 | Low | 59.5 | Low | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -76.2 | -33.7 | 179.1 | -42.8 | 0 | 0 | 0 | 0 | 111.5 | W1148 Q1149 M1154 C1155 V1156 C1167 L1168 I1171 I1201 | W1148-T1152 WeakPolarHBondContact O-CB 3.03Å; W1148-T1152 PolarHBondContact O-N 2.94Å; W1148-T1152 PolarHBondContact O-OG1 3.01Å; Q1149-T1152 PolarHBondContact O-N 3.22Å; T1152-M1154 CarbonylContact O-C 3.33Å; T1152-M1154 PolarHBondContact O-N 3.35Å; T1152-C1155 HydrophobicContact CG2-CB 4.14Å; T1152-C1155 VanDerWaalsContact O-CB 3.28Å; T1152-C1155 WeakPolarHBondContact O-CB 3.06Å; T1152-C1155 PolarHBondContact O-N 2.82Å; T1152-V1156 WeakPolarHBondContact O-CG2 3.06Å; T1152-C1167 HydrophobicContact CG2-CB 3.55Å; T1152-C1167 VanDerWaalsContact OG1-CB 3.24Å; T1152-C1167 WeakPolarHBondContact OG1-CB 3.43Å; T1152-C1167 PolarHBondContact OG1-O 2.88Å; T1152-L1168 HydrophobicContact CG2-CB 4.47Å; T1152-L1168 HydrophobicContact CG2-CD2 3.52Å; T1152-L1168 HydrophobicContact CG2-CG 3.56Å; T1152-L1168 PolarHBondContact OG1-N 2.92Å; T1152-I1171 HydrophobicContact CG2-CD1 4.25Å; T1152-I1171 WeakPolarHBondContact OG1-CD1 3.09Å; T1152-I1171 VanDerWaalsContact OG1-CG1 3.26Å; T1152-I1171 WeakPolarHBondContact OG1-CG1 3.44Å; T1152-I1201 HydrophobicContact CG2-CD1 3.25Å; T1152-I1201 HydrophobicContact CG2-CG1 4.12Å; T1152-I1201 VanDerWaalsContact O-CD1 3.22Å; T1152-I1201 WeakPolarHBondContact O-CD1 3.37Å |
| 1153 | K | 58.9 | Low | 59.9 | Low | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.2 | 12 | 179.7 | -91.4 | -146.3 | -110.3 | 164.9 | 0 | 114.2 | F1123 Y1126 L1127 M1132 A1135 M1139 Q1149 I1201 M1203 | F1123-K1153 HydrophobicContact CE1-CD 4.21Å; F1123-K1153 HydrophobicContact CE2-CB 3.69Å; F1123-K1153 HydrophobicContact CE2-CD 3.6Å; F1123-K1153 HydrophobicContact CE2-CG 4.21Å; F1123-K1153 HydrophobicContact CZ-CB 3.81Å; F1123-K1153 HydrophobicContact CZ-CD 3.37Å; F1123-K1153 HydrophobicContact CZ-CG 4Å; F1123-K1153 PolarHBondContact O-NZ 3.06Å; Y1126-K1153 PolarHBondContact O-NZ 3.48Å; L1127-K1153 VanDerWaalsContact CB-NZ 3.27Å; L1127-K1153 VanDerWaalsContact CD1-CE 3.41Å; L1127-K1153 VanDerWaalsContact CG-NZ 3.31Å; M1132-K1153 HydrophobicContact CE-CG 4.45Å; M1132-K1153 WeakPolarHBondContact CG-O 3.37Å; M1132-K1153 VanDerWaalsContact O-O 3.08Å; A1135-K1153 WeakPolarHBondContact CB-O 3.5Å; M1139-K1153 VanDerWaalsContact CE-CA 3.43Å; M1139-K1153 HydrophobicContact CE-CB 3.04Å; M1139-K1153 HydrophobicContact CE-CG 4.33Å; M1139-K1153 HydrophobicContact SD-CB 4.33Å; Q1149-K1153 WeakPolarHBondContact O-CB 3.45Å; Q1149-K1153 PolarHBondContact O-N 3.22Å; K1153-I1201 HydrophobicContact CB-CB 4.39Å; K1153-I1201 HydrophobicContact CB-CG2 4.08Å; K1153-I1201 HydrophobicContact CD-CG2 4.46Å; K1153-I1201 WeakPolarHBondContact CD-O 3.47Å; K1153-I1201 HydrophobicContact CG-CB 3.6Å; K1153-I1201 HydrophobicContact CG-CG2 3.24Å; K1153-I1201 VanDerWaalsContact CG-O 3.24Å; K1153-I1201 WeakPolarHBondContact CG-O 3.19Å; K1153-M1203 HydrophobicContact CB-CE 3.28Å; K1153-M1203 HydrophobicContact CB-SD 4.17Å; K1153-M1203 HydrophobicContact CD-CE 3.3Å; K1153-M1203 HydrophobicContact CD-SD 3.03Å; K1153-M1203 WeakPolarHBondContact CD-SD 2.8Å; K1153-M1203 HydrophobicContact CG-CE 3.43Å; K1153-M1203 VanDerWaalsContact CG-CE 3.43Å; K1153-M1203 HydrophobicContact CG-SD 3.62Å; K1153-M1203 WeakPolarHBondContact O-CE 2.89Å |
| 1154 | M | 56.3 | Low | 60.6 | Low | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -141.6 | 7.4 | 144.3 | 137.5 | -103.6 | -80.7 | 0 | 0 | 115.5 | S575 M1132 D1133 S1134 A1135 F1136 R1137 T1152 V1156 T1157 | S575-M1154 VanDerWaalsContact C-CE 3.49Å; S575-M1154 WeakPolarHBondContact CA-SD 3.19Å; S575-M1154 PolarHBondContact N-SD 2.97Å; S575-M1154 WeakPolarHBondContact O-CE 3.03Å; S575-M1154 WeakPolarHBondContact OG-CG 3.29Å; S575-M1154 PolarHBondContact OG-O 3.4Å; S575-M1154 PolarHBondContact OG-SD 3.28Å; M1132-M1154 WeakPolarHBondContact O-CB 3.25Å; D1133-M1154 HydrophobicContact CB-CG 4.16Å; D1133-M1154 WeakPolarHBondContact O-CE 2.81Å; D1133-M1154 WeakPolarHBondContact OD1-CG 3.4Å; S1134-M1154 WeakPolarHBondContact O-CE 3.42Å; A1135-M1154 HydrophobicContact CB-CB 4.02Å; F1136-M1154 WeakPolarHBondContact CA-SD 3.15Å; F1136-M1154 VanDerWaalsContact CB-CA 3.44Å; F1136-M1154 HydrophobicContact CB-CB 3.43Å; F1136-M1154 VanDerWaalsContact CB-CB 3.43Å; F1136-M1154 HydrophobicContact CB-CE 4.48Å; F1136-M1154 HydrophobicContact CB-CG 3.42Å; F1136-M1154 VanDerWaalsContact CB-CG 3.42Å; F1136-M1154 HydrophobicContact CB-SD 3.19Å; F1136-M1154 WeakPolarHBondContact CB-SD 2.97Å; F1136-M1154 VanDerWaalsContact CD1-C 3.43Å; F1136-M1154 HydrophobicContact CD1-CG 3.93Å; F1136-M1154 VanDerWaalsContact CD1-O 3.25Å; F1136-M1154 WeakPolarHBondContact CD1-O 3.31Å; F1136-M1154 HydrophobicContact CD1-SD 3.61Å; F1136-M1154 HydrophobicContact CG-CB 4.48Å; F1136-M1154 HydrophobicContact CG-CG 4.19Å; F1136-M1154 HydrophobicContact CG-SD 3.83Å; F1136-M1154 PolarHBondContact N-SD 2.82Å; R1137-M1154 HydrophobicContact CB-CE 3.73Å; R1137-M1154 HydrophobicContact CB-SD 4.35Å; R1137-M1154 HydrophobicContact CG-CE 3.86Å; R1137-M1154 HydrophobicContact CG-SD 4Å; R1137-M1154 VanDerWaalsContact N-CE 3.34Å; R1137-M1154 PolarHBondContact N-SD 3.03Å; R1137-M1154 VanDerWaalsContact N-SD 3.45Å; T1152-M1154 CarbonylContact O-C 3.33Å; T1152-M1154 PolarHBondContact O-N 3.35Å; M1154-V1156 CarbonylContact O-C 3.5Å; M1154-V1156 PolarHBondContact O-N 3.33Å; M1154-V1156 VanDerWaalsContact O-N 3.08Å; M1154-T1157 PolarHBondContact O-N 3.33Å |
| 1155 | C | 63.5 | Low | 61.1 | Low | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.1 | -25.8 | 168.3 | -138.2 | 0 | 0 | 0 | 0 | 111.5 | F1136 T1152 R1160 V1163 A1164 C1167 | F1136-C1155 HydrophobicContact CD1-CB 4.45Å; F1136-C1155 HydrophobicContact CD2-CB 3.89Å; F1136-C1155 HydrophobicContact CE1-CB 4.36Å; F1136-C1155 HydrophobicContact CE2-CB 3.83Å; F1136-C1155 WeakPolarHBondContact CE2-SG 3.35Å; F1136-C1155 HydrophobicContact CG-CB 4.26Å; F1136-C1155 HydrophobicContact CZ-CB 4.07Å; F1136-C1155 WeakPolarHBondContact CZ-SG 3.16Å; T1152-C1155 HydrophobicContact CG2-CB 4.14Å; T1152-C1155 VanDerWaalsContact O-CB 3.28Å; T1152-C1155 WeakPolarHBondContact O-CB 3.06Å; T1152-C1155 PolarHBondContact O-N 2.82Å; C1155-R1160 CarbonylContact O-C 3.6Å; C1155-V1163 PolarHBondContact SG-O 2.89Å; C1155-A1164 HydrophobicContact CB-CB 4.24Å; C1155-A1164 WeakPolarHBondContact SG-CA 3.22Å; C1155-A1164 PolarHBondContact SG-N 2.79Å; C1155-C1167 HydrophobicContact CB-CB 3.58Å; C1155-C1167 WeakPolarHBondContact CB-SG 3.3Å; C1155-C1167 WeakPolarHBondContact SG-CB 3.34Å; C1155-C1167 CovalentContact SG-SG 2.05Å; C1155-C1167 PolarHBondContact SG-SG 3.09Å |
| 1156 | V | 66.2 | Low | 61.4 | Low | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -30.8 | -74.6 | 151.2 | -166.4 | 0 | 0 | 0 | 0 | 112.8 | M1132 T1152 M1154 C1159 A1194 L1197 A1198 I1201 | M1132-V1156 HydrophobicContact CE-CB 4.29Å; M1132-V1156 HydrophobicContact CE-CG1 4.39Å; M1132-V1156 HydrophobicContact CE-CG2 3.19Å; M1132-V1156 HydrophobicContact CG-CB 3.64Å; M1132-V1156 HydrophobicContact CG-CG1 3.71Å; M1132-V1156 HydrophobicContact CG-CG2 3.54Å; M1132-V1156 HydrophobicContact SD-CB 4.06Å; M1132-V1156 HydrophobicContact SD-CG1 3.75Å; M1132-V1156 HydrophobicContact SD-CG2 3.58Å; M1132-V1156 VanDerWaalsContact SD-CG2 3.58Å; T1152-V1156 WeakPolarHBondContact O-CG2 3.06Å; M1154-V1156 CarbonylContact O-C 3.5Å; M1154-V1156 PolarHBondContact O-N 3.33Å; M1154-V1156 VanDerWaalsContact O-N 3.08Å; V1156-C1159 WeakPolarHBondContact O-CA 3.38Å; V1156-C1159 PolarHBondContact O-N 2.85Å; V1156-A1194 WeakPolarHBondContact CG1-O 3.02Å; V1156-A1194 VanDerWaalsContact O-CB 3.3Å; V1156-A1194 WeakPolarHBondContact O-CB 2.99Å; V1156-L1197 VanDerWaalsContact CA-CD2 3.45Å; V1156-L1197 HydrophobicContact CB-CB 4.21Å; V1156-L1197 HydrophobicContact CB-CD2 4.33Å; V1156-L1197 HydrophobicContact CB-CG 4.1Å; V1156-L1197 HydrophobicContact CG1-CB 4.01Å; V1156-L1197 HydrophobicContact CG1-CG 4.42Å; V1156-L1197 HydrophobicContact CG2-CB 4.13Å; V1156-L1197 HydrophobicContact CG2-CD2 4.23Å; V1156-L1197 HydrophobicContact CG2-CG 3.67Å; V1156-L1197 VanDerWaalsContact N-CD2 3.29Å; V1156-A1198 HydrophobicContact CG1-CB 3.63Å; V1156-I1201 HydrophobicContact CG2-CD1 3.55Å |
| 1157 | T | 59 | Low | 61.9 | Low | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -0.4 | -136.8 | 20.7 | 0 | 0 | 0 | 0 | 113.7 | M1132 D1133 M1154 C1159 E1206 L1210 | M1132-T1157 HydrophobicContact CB-CG2 4.1Å; M1132-T1157 HydrophobicContact CG-CG2 4.13Å; M1132-T1157 WeakPolarHBondContact CG-OG1 3.43Å; D1133-T1157 WeakPolarHBondContact CA-OG1 3.19Å; D1133-T1157 HydrophobicContact CB-CG2 4.08Å; D1133-T1157 WeakPolarHBondContact CB-OG1 3.21Å; D1133-T1157 VanDerWaalsContact CG-C 3.47Å; D1133-T1157 VanDerWaalsContact OD1-C 3.31Å; D1133-T1157 VanDerWaalsContact OD1-CB 3.27Å; D1133-T1157 WeakPolarHBondContact OD1-CB 2.92Å; D1133-T1157 PolarHBondContact OD1-OG1 2.8Å; D1133-T1157 WeakPolarHBondContact OD2-CB 2.74Å; M1154-T1157 PolarHBondContact O-N 3.33Å; T1157-C1159 PolarHBondContact O-N 2.91Å; T1157-E1206 HydrophobicContact CG2-CB 3.43Å; T1157-E1206 VanDerWaalsContact CG2-CB 3.43Å; T1157-E1206 VanDerWaalsContact CG2-O 3.24Å; T1157-E1206 WeakPolarHBondContact CG2-O 3.28Å; T1157-L1210 HydrophobicContact CG2-CD1 3.51Å; T1157-L1210 HydrophobicContact CG2-CG 3.92Å; T1157-L1210 WeakPolarHBondContact O-CD2 3.43Å |
| 1158 | T | 56.6 | Low | 62.5 | Low | 42 Ų | 42 | 25.8 Ų | 25.8 | 26% | 0.258 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -13.6 | 153.7 | -10.6 | 0 | 0 | 0 | 0 | 112.9 | S575 D1133 F1136 R1160 | S575-T1158 WeakPolarHBondContact CB-OG1 3.25Å; S575-T1158 WeakPolarHBondContact OG-CA 3.34Å; S575-T1158 WeakPolarHBondContact OG-CB 3.28Å; S575-T1158 PolarHBondContact OG-N 3Å; S575-T1158 PolarHBondContact OG-OG1 3.26Å; D1133-T1158 PolarHBondContact OD1-N 3.12Å; F1136-T1158 WeakPolarHBondContact CE1-OG1 3.47Å; T1158-R1160 HydrophobicContact CG2-CB 4.29Å; T1158-R1160 HydrophobicContact CG2-CG 3.84Å; T1158-R1160 WeakPolarHBondContact OG1-CB 3.49Å |
| 1159 | C | 64.8 | Low | 62.5 | Low | 19 Ų | 19 | 26 Ų | 26 | 13% | 0.128 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 61.5 | 24.9 | -146.3 | -37.1 | 0 | 0 | 0 | 0 | 114.7 | V1156 T1157 L1161 L1190 E1191 A1194 | V1156-C1159 WeakPolarHBondContact O-CA 3.38Å; V1156-C1159 PolarHBondContact O-N 2.85Å; T1157-C1159 PolarHBondContact O-N 2.91Å; C1159-L1161 PolarHBondContact O-N 2.97Å; C1159-L1190 HydrophobicContact CB-CB 4.29Å; C1159-E1191 VanDerWaalsContact SG-CA 3.56Å; C1159-A1194 HydrophobicContact CB-CB 3.47Å; C1159-A1194 VanDerWaalsContact CB-CB 3.47Å; C1159-A1194 WeakPolarHBondContact SG-CB 3.11Å |
| 1160 | R | 59.2 | Low | 62.6 | Low | 97 Ų | 97 | 27.2 Ų | 27.2 | 37% | 0.366 | 14% | 0.142 | S | C | . | . | trans | -89.6 | 59.9 | 175.2 | -77.9 | -138.3 | -94.9 | -171 | -18.2 | 112.9 | N574 C1155 T1158 D1162 V1163 A1164 | N574-R1160 PolarHBondContact ND2-NH1 3.21Å; N574-R1160 PolarHBondContact ND2-NH2 2.97Å; C1155-R1160 CarbonylContact O-C 3.6Å; T1158-R1160 HydrophobicContact CG2-CB 4.29Å; T1158-R1160 HydrophobicContact CG2-CG 3.84Å; T1158-R1160 WeakPolarHBondContact OG1-CB 3.49Å; R1160-D1162 WeakPolarHBondContact CA-OD1 2.94Å; R1160-D1162 WeakPolarHBondContact CB-OD1 3.3Å; R1160-D1162 VanDerWaalsContact CD-OD1 3.22Å; R1160-D1162 WeakPolarHBondContact CD-OD1 2.88Å; R1160-D1162 WeakPolarHBondContact CG-OD1 3.43Å; R1160-D1162 PolarHBondContact O-N 3.01Å; R1160-V1163 HydrophobicContact CB-CB 4.35Å; R1160-V1163 HydrophobicContact CB-CG2 4.15Å; R1160-V1163 CarbonylContact O-C 3.42Å; R1160-V1163 WeakPolarHBondContact O-CA 3.41Å; R1160-V1163 PolarHBondContact O-N 3.39Å; R1160-A1164 PolarHBondContact O-N 2.93Å | ||
| 1161 | L | 69.5 | Low | 63 | Low | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.6 | -29.6 | 166.1 | -57.4 | 165.6 | 0 | 0 | 0 | 112.6 | E334 C1159 V1163 A1164 R1165 L1180 L1190 Q1193 A1194 L1197 | E334-L1161 HydrophobicContact CG-CB 3.76Å; E334-L1161 WeakPolarHBondContact OE1-CB 3.22Å; E334-L1161 WeakPolarHBondContact OE1-CD1 3.44Å; C1159-L1161 PolarHBondContact O-N 2.97Å; L1161-V1163 VanDerWaalsContact C-N 3.35Å; L1161-A1164 VanDerWaalsContact CA-CB 3.48Å; L1161-A1164 WeakPolarHBondContact O-CB 3.26Å; L1161-A1164 PolarHBondContact O-N 3.49Å; L1161-R1165 VanDerWaalsContact O-CD 3.22Å; L1161-R1165 WeakPolarHBondContact O-CD 3.42Å; L1161-R1165 VanDerWaalsContact O-CG 3.31Å; L1161-R1165 WeakPolarHBondContact O-CG 3.24Å; L1161-R1165 PolarHBondContact O-N 2.89Å; L1161-L1180 HydrophobicContact CD2-CD1 4.2Å; L1161-L1180 HydrophobicContact CD2-CD2 3.99Å; L1161-L1190 HydrophobicContact CD1-CD2 4.03Å; L1161-L1190 WeakPolarHBondContact CD1-O 3.4Å; L1161-Q1193 HydrophobicContact CD1-CB 3.29Å; L1161-Q1193 HydrophobicContact CD1-CG 4.37Å; L1161-A1194 HydrophobicContact CD1-CB 4.03Å; L1161-A1194 HydrophobicContact CD2-CB 4.12Å; L1161-A1194 HydrophobicContact CG-CB 4.08Å; L1161-L1197 HydrophobicContact CD2-CB 4.1Å; L1161-L1197 HydrophobicContact CD2-CD2 3.71Å |
| 1162 | D | 60.2 | Low | 63.3 | Low | 82 Ų | 82 | 32.8 Ų | 32.8 | 44% | 0.439 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -56.8 | -48.9 | 168.4 | 67 | -44.2 | 0 | 0 | 0 | 110.7 | R1160 R1165 | R1160-D1162 WeakPolarHBondContact CA-OD1 2.94Å; R1160-D1162 WeakPolarHBondContact CB-OD1 3.3Å; R1160-D1162 VanDerWaalsContact CD-OD1 3.22Å; R1160-D1162 WeakPolarHBondContact CD-OD1 2.88Å; R1160-D1162 WeakPolarHBondContact CG-OD1 3.43Å; R1160-D1162 PolarHBondContact O-N 3.01Å; D1162-R1165 WeakPolarHBondContact O-CD 3.3Å |
| 1163 | V | 65.3 | Low | 63.4 | Low | 6 Ų | 6 | 33.9 Ų | 33.9 | 4% | 0.036 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -78.2 | -27 | 174.1 | -166.1 | 0 | 0 | 0 | 0 | 110.5 | Q573 F1136 C1155 R1160 L1161 R1165 V1166 C1167 | Q573-V1163 HydrophobicContact CB-CG1 4.25Å; F1136-V1163 HydrophobicContact CE2-CB 4.49Å; F1136-V1163 HydrophobicContact CE2-CG1 3.91Å; F1136-V1163 HydrophobicContact CZ-CB 4Å; F1136-V1163 HydrophobicContact CZ-CG1 3.86Å; C1155-V1163 PolarHBondContact SG-O 2.89Å; R1160-V1163 HydrophobicContact CB-CB 4.35Å; R1160-V1163 HydrophobicContact CB-CG2 4.15Å; R1160-V1163 CarbonylContact O-C 3.42Å; R1160-V1163 WeakPolarHBondContact O-CA 3.41Å; R1160-V1163 PolarHBondContact O-N 3.39Å; L1161-V1163 VanDerWaalsContact C-N 3.35Å; V1163-R1165 PolarHBondContact O-N 3.25Å; V1163-V1166 HydrophobicContact CG1-CB 4.4Å; V1163-V1166 CarbonylContact O-C 3.47Å; V1163-V1166 VanDerWaalsContact O-CA 3.23Å; V1163-V1166 WeakPolarHBondContact O-CA 3.13Å; V1163-V1166 WeakPolarHBondContact O-CB 3.01Å; V1163-V1166 PolarHBondContact O-N 3Å; V1163-C1167 PolarHBondContact O-N 3.3Å; V1163-C1167 PolarHBondContact O-SG 2.87Å; V1163-C1167 VanDerWaalsContact O-SG 3.42Å |
| 1164 | A | 66.1 | Low | 63.8 | Low | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.017 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58 | -39 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | C1155 R1160 L1161 V1166 C1167 L1168 L1197 | C1155-A1164 HydrophobicContact CB-CB 4.24Å; C1155-A1164 WeakPolarHBondContact SG-CA 3.22Å; C1155-A1164 PolarHBondContact SG-N 2.79Å; R1160-A1164 PolarHBondContact O-N 2.93Å; L1161-A1164 VanDerWaalsContact CA-CB 3.48Å; L1161-A1164 WeakPolarHBondContact O-CB 3.26Å; L1161-A1164 PolarHBondContact O-N 3.49Å; A1164-V1166 PolarHBondContact O-N 3.36Å; A1164-C1167 PolarHBondContact O-N 2.92Å; A1164-C1167 VanDerWaalsContact O-N 3.12Å; A1164-L1168 HydrophobicContact CB-CD1 4.48Å; A1164-L1168 VanDerWaalsContact O-CB 3.24Å; A1164-L1168 WeakPolarHBondContact O-CB 2.92Å; A1164-L1168 WeakPolarHBondContact O-CD1 3.38Å; A1164-L1168 WeakPolarHBondContact O-CG 3.47Å; A1164-L1168 PolarHBondContact O-N 2.99Å; A1164-L1197 HydrophobicContact CB-CD1 4.46Å; A1164-L1197 HydrophobicContact CB-CD2 3.03Å; A1164-L1197 HydrophobicContact CB-CG 4.36Å |
| 1165 | R | 67.9 | Low | 64.2 | Low | 100 Ų | 100 | 36.1 Ų | 36.1 | 38% | 0.377 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -53.3 | -43.7 | 170.8 | -59.5 | 143.4 | 58.4 | 132.6 | 3.9 | 111.7 | P333 E334 S335 L1161 D1162 V1163 G1169 | P333-R1165 HydrophobicContact CB-CB 3.81Å; P333-R1165 HydrophobicContact CB-CG 3.59Å; E334-R1165 HydrophobicContact CB-CG 4.28Å; E334-R1165 HydrophobicContact CG-CG 4.17Å; E334-R1165 VanDerWaalsContact N-CG 3.3Å; S335-R1165 VanDerWaalsContact CA-CZ 3.48Å; L1161-R1165 VanDerWaalsContact O-CD 3.22Å; L1161-R1165 WeakPolarHBondContact O-CD 3.42Å; L1161-R1165 VanDerWaalsContact O-CG 3.31Å; L1161-R1165 WeakPolarHBondContact O-CG 3.24Å; L1161-R1165 PolarHBondContact O-N 2.89Å; D1162-R1165 WeakPolarHBondContact O-CD 3.3Å; V1163-R1165 PolarHBondContact O-N 3.25Å; R1165-G1169 PolarHBondContact O-N 3.12Å |
| 1166 | V | 62.9 | Low | 64.4 | Low | 64 Ų | 64 | 36.1 Ų | 36.1 | 39% | 0.388 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -69.2 | -45.3 | 175.6 | -167.5 | 0 | 0 | 0 | 0 | 110.5 | V1163 A1164 G1169 K1170 | V1163-V1166 HydrophobicContact CG1-CB 4.4Å; V1163-V1166 CarbonylContact O-C 3.47Å; V1163-V1166 VanDerWaalsContact O-CA 3.23Å; V1163-V1166 WeakPolarHBondContact O-CA 3.13Å; V1163-V1166 WeakPolarHBondContact O-CB 3.01Å; V1163-V1166 PolarHBondContact O-N 3Å; A1164-V1166 PolarHBondContact O-N 3.36Å; V1166-G1169 CarbonylContact O-C 3.6Å; V1166-G1169 PolarHBondContact O-N 2.97Å; V1166-K1170 HydrophobicContact CG1-CG 4.23Å; V1166-K1170 VanDerWaalsContact O-CB 3.29Å; V1166-K1170 WeakPolarHBondContact O-CB 3.31Å; V1166-K1170 WeakPolarHBondContact O-CG 3.2Å; V1166-K1170 PolarHBondContact O-N 3.49Å |
| 1167 | C | 67.6 | Low | 64.6 | Low | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -50.6 | -179.5 | -66.7 | 0 | 0 | 0 | 0 | 112 | F1136 T1152 C1155 V1163 A1164 G1169 K1170 I1171 | F1136-C1167 WeakPolarHBondContact CE2-SG 3.44Å; T1152-C1167 HydrophobicContact CG2-CB 3.55Å; T1152-C1167 VanDerWaalsContact OG1-CB 3.24Å; T1152-C1167 WeakPolarHBondContact OG1-CB 3.43Å; T1152-C1167 PolarHBondContact OG1-O 2.88Å; C1155-C1167 HydrophobicContact CB-CB 3.58Å; C1155-C1167 WeakPolarHBondContact CB-SG 3.3Å; C1155-C1167 WeakPolarHBondContact SG-CB 3.34Å; C1155-C1167 CovalentContact SG-SG 2.05Å; C1155-C1167 PolarHBondContact SG-SG 3.09Å; V1163-C1167 PolarHBondContact O-N 3.3Å; V1163-C1167 PolarHBondContact O-SG 2.87Å; V1163-C1167 VanDerWaalsContact O-SG 3.42Å; A1164-C1167 PolarHBondContact O-N 2.92Å; A1164-C1167 VanDerWaalsContact O-N 3.12Å; C1167-G1169 VanDerWaalsContact C-N 3.34Å; C1167-G1169 PolarHBondContact O-N 3.39Å; C1167-K1170 CarbonylContact O-C 3.41Å; C1167-K1170 WeakPolarHBondContact O-CA 2.73Å; C1167-K1170 PolarHBondContact O-N 3.14Å; C1167-I1171 PolarHBondContact O-N 3.27Å |
| 1168 | L | 67.6 | Low | 65.2 | Low | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.9 | -45.6 | 174.2 | -67.4 | 163.7 | 0 | 0 | 0 | 111.1 | P333 T1152 A1164 K1170 I1171 N1172 N1173 G1176 S1177 L1197 I1201 | P333-L1168 HydrophobicContact CB-CD1 3.83Å; T1152-L1168 HydrophobicContact CG2-CB 4.47Å; T1152-L1168 HydrophobicContact CG2-CD2 3.52Å; T1152-L1168 HydrophobicContact CG2-CG 3.56Å; T1152-L1168 PolarHBondContact OG1-N 2.92Å; A1164-L1168 HydrophobicContact CB-CD1 4.48Å; A1164-L1168 VanDerWaalsContact O-CB 3.24Å; A1164-L1168 WeakPolarHBondContact O-CB 2.92Å; A1164-L1168 WeakPolarHBondContact O-CD1 3.38Å; A1164-L1168 WeakPolarHBondContact O-CG 3.47Å; A1164-L1168 PolarHBondContact O-N 2.99Å; L1168-K1170 PolarHBondContact O-N 3.29Å; L1168-K1170 VanDerWaalsContact O-N 3.15Å; L1168-I1171 HydrophobicContact CD2-CD1 4.39Å; L1168-I1171 PolarHBondContact O-N 2.76Å; L1168-N1172 PolarHBondContact O-N 2.87Å; L1168-N1172 VanDerWaalsContact O-N 3.17Å; L1168-N1173 PolarHBondContact O-N 2.82Å; L1168-G1176 WeakPolarHBondContact CD1-O 3.46Å; L1168-G1176 VanDerWaalsContact CD2-CA 3.43Å; L1168-G1176 WeakPolarHBondContact CD2-O 3.19Å; L1168-S1177 WeakPolarHBondContact CB-OG 3.35Å; L1168-S1177 WeakPolarHBondContact CD1-OG 3.23Å; L1168-L1197 HydrophobicContact CD1-CD1 3.79Å; L1168-L1197 HydrophobicContact CD2-CD1 4.25Å; L1168-L1197 HydrophobicContact CG-CD1 4.31Å; L1168-I1201 HydrophobicContact CD2-CG1 4.49Å |
| 1169 | G | 63 | Low | 65.9 | Low | 44 Ų | 44 | 35 Ų | 35 | 45% | 0.454 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -74.8 | 17.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R1165 V1166 C1167 | R1165-G1169 PolarHBondContact O-N 3.12Å; V1166-G1169 CarbonylContact O-C 3.6Å; V1166-G1169 PolarHBondContact O-N 2.97Å; C1167-G1169 VanDerWaalsContact C-N 3.34Å; C1167-G1169 PolarHBondContact O-N 3.39Å |
| 1170 | K | 61.1 | Low | 66.3 | Low | 108 Ų | 108 | 34.1 Ų | 34.1 | 47% | 0.47 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -131.9 | -21.1 | 169.8 | -71.3 | -72.9 | 172.5 | -147 | 0 | 113 | W1148 V1166 C1167 L1168 | W1148-K1170 HydrophobicContact CB-CB 3.73Å; W1148-K1170 WeakPolarHBondContact CB-O 3.27Å; W1148-K1170 HydrophobicContact CD2-CB 3.3Å; W1148-K1170 HydrophobicContact CD2-CG 3.97Å; W1148-K1170 HydrophobicContact CE3-CB 3.25Å; W1148-K1170 HydrophobicContact CE3-CG 3.66Å; W1148-K1170 HydrophobicContact CG-CB 3.46Å; W1148-K1170 VanDerWaalsContact CG-CB 3.46Å; W1148-K1170 HydrophobicContact CH2-CG 4.3Å; W1148-K1170 HydrophobicContact CZ3-CB 3.94Å; W1148-K1170 HydrophobicContact CZ3-CG 3.78Å; V1166-K1170 HydrophobicContact CG1-CG 4.23Å; V1166-K1170 VanDerWaalsContact O-CB 3.29Å; V1166-K1170 WeakPolarHBondContact O-CB 3.31Å; V1166-K1170 WeakPolarHBondContact O-CG 3.2Å; V1166-K1170 PolarHBondContact O-N 3.49Å; C1167-K1170 CarbonylContact O-C 3.41Å; C1167-K1170 WeakPolarHBondContact O-CA 2.73Å; C1167-K1170 PolarHBondContact O-N 3.14Å; L1168-K1170 PolarHBondContact O-N 3.29Å; L1168-K1170 VanDerWaalsContact O-N 3.15Å |
| 1171 | I | 68.3 | Low | 66.9 | Low | 22 Ų | 22 | 30.7 Ų | 30.7 | 11% | 0.113 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.5 | -36.1 | 155.5 | -55.9 | 165.4 | 0 | 0 | 0 | 109.4 | W1148 Q1149 T1152 C1167 L1168 N1173 I1201 | W1148-I1171 HydrophobicContact CB-CG1 4.18Å; W1148-I1171 VanDerWaalsContact CB-N 3.31Å; W1148-I1171 WeakPolarHBondContact O-CG1 3.33Å; Q1149-I1171 HydrophobicContact CB-CD1 4.4Å; Q1149-I1171 HydrophobicContact CB-CG1 4.21Å; Q1149-I1171 HydrophobicContact CB-CG2 4.25Å; Q1149-I1171 HydrophobicContact CG-CD1 4.14Å; Q1149-I1171 HydrophobicContact CG-CG1 4.44Å; Q1149-I1171 HydrophobicContact CG-CG2 4.29Å; T1152-I1171 HydrophobicContact CG2-CD1 4.25Å; T1152-I1171 WeakPolarHBondContact OG1-CD1 3.09Å; T1152-I1171 VanDerWaalsContact OG1-CG1 3.26Å; T1152-I1171 WeakPolarHBondContact OG1-CG1 3.44Å; C1167-I1171 PolarHBondContact O-N 3.27Å; L1168-I1171 HydrophobicContact CD2-CD1 4.39Å; L1168-I1171 PolarHBondContact O-N 2.76Å; I1171-N1173 VanDerWaalsContact C-N 3.29Å; I1171-N1173 HydrophobicContact CB-CB 3.54Å; I1171-N1173 HydrophobicContact CD1-CB 3.38Å; I1171-N1173 HydrophobicContact CG1-CB 4Å; I1171-N1173 HydrophobicContact CG2-CB 3.47Å; I1171-N1173 VanDerWaalsContact CG2-CB 3.47Å; I1171-I1201 HydrophobicContact CD1-CG2 4.32Å |
| 1172 | N | 61.4 | Low | 67 | Low | 99 Ų | 99 | 30.7 Ų | 30.7 | 53% | 0.529 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 52.7 | -143.6 | -62.3 | 35.1 | 0 | 0 | 0 | 109.3 | E428 L1168 P1174 | E428-N1172 PolarHBondContact OE2-ND2 3.42Å; L1168-N1172 PolarHBondContact O-N 2.87Å; L1168-N1172 VanDerWaalsContact O-N 3.17Å; N1172-P1174 WeakPolarHBondContact O-CD 3.43Å |
| 1173 | N | 67 | Low | 67.6 | Low | 23 Ų | 23 | 27.2 Ų | 27.2 | 12% | 0.123 | 14% | 0.144 | C | C | . | . | trans | -106.1 | 73.3 | 162.1 | -178.1 | 11.2 | 0 | 0 | 0 | 106.3 | L1168 I1171 M1175 G1176 S1177 | L1168-N1173 PolarHBondContact O-N 2.82Å; I1171-N1173 VanDerWaalsContact C-N 3.29Å; I1171-N1173 HydrophobicContact CB-CB 3.54Å; I1171-N1173 HydrophobicContact CD1-CB 3.38Å; I1171-N1173 HydrophobicContact CG1-CB 4Å; I1171-N1173 HydrophobicContact CG2-CB 3.47Å; I1171-N1173 VanDerWaalsContact CG2-CB 3.47Å; N1173-M1175 PolarHBondContact O-N 3.29Å; N1173-M1175 VanDerWaalsContact OD1-C 3.31Å; N1173-M1175 VanDerWaalsContact OD1-CA 3.29Å; N1173-M1175 WeakPolarHBondContact OD1-CA 3.24Å; N1173-M1175 WeakPolarHBondContact OD1-CB 3.45Å; N1173-M1175 PolarHBondContact OD1-N 3.15Å; N1173-G1176 PolarHBondContact ND2-N 2.76Å; N1173-G1176 PolarHBondContact O-N 2.59Å; N1173-G1176 PolarHBondContact OD1-N 3Å; N1173-S1177 PolarHBondContact O-N 2.96Å | ||
| 1174 | P | 66.6 | Low | 67.8 | Low | 16 Ų | 16 | 30.5 Ų | 30.5 | 10% | 0.104 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 0.6 | 168.2 | 33.6 | -39.5 | 0 | 0 | 0 | 111.2 | W425 N427 N1172 S1177 K1178 | W425-P1174 VanDerWaalsContact CD1-O 3.24Å; W425-P1174 HydrophobicContact CD2-CB 3.89Å; W425-P1174 HydrophobicContact CD2-CG 4.18Å; W425-P1174 HydrophobicContact CE3-CB 3.95Å; W425-P1174 HydrophobicContact CE3-CG 4.2Å; W425-P1174 HydrophobicContact CH2-CB 3.91Å; W425-P1174 HydrophobicContact CZ2-CB 3.87Å; W425-P1174 WeakPolarHBondContact CZ2-O 3.02Å; W425-P1174 HydrophobicContact CZ3-CB 3.95Å; W425-P1174 PolarHBondContact NE1-O 3.22Å; N427-P1174 HydrophobicContact CB-CG 4.24Å; N427-P1174 VanDerWaalsContact ND2-CG 3.31Å; N427-P1174 WeakPolarHBondContact ND2-CG 3.22Å; N427-P1174 WeakPolarHBondContact OD1-CG 2.99Å; N1172-P1174 WeakPolarHBondContact O-CD 3.43Å; P1174-S1177 VanDerWaalsContact C-CA 3.47Å; P1174-S1177 CarbonylContact O-C 3.49Å; P1174-S1177 WeakPolarHBondContact O-CA 3.35Å; P1174-S1177 WeakPolarHBondContact O-CB 3.44Å; P1174-S1177 PolarHBondContact O-N 2.82Å; P1174-K1178 PolarHBondContact O-N 3.15Å |
| 1175 | M | 65 | Low | 68 | Low | 30 Ų | 30 | 32.5 Ų | 32.5 | 15% | 0.148 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | -15.9 | 175.9 | -178 | 78.6 | -85.5 | 0 | 0 | 117 | M362 T423 W425 N1173 S1177 M1179 Q1200 | M362-M1175 HydrophobicContact CE-CE 4.01Å; M362-M1175 HydrophobicContact CE-SD 4.35Å; T423-M1175 VanDerWaalsContact OG1-CE 3.3Å; T423-M1175 WeakPolarHBondContact OG1-CE 3.04Å; W425-M1175 HydrophobicContact CB-CB 4.47Å; W425-M1175 HydrophobicContact CB-SD 4.45Å; W425-M1175 VanDerWaalsContact CD1-SD 3.58Å; W425-M1175 HydrophobicContact CG-CB 4.3Å; W425-M1175 HydrophobicContact CG-SD 4.48Å; N1173-M1175 PolarHBondContact O-N 3.29Å; N1173-M1175 VanDerWaalsContact OD1-C 3.31Å; N1173-M1175 VanDerWaalsContact OD1-CA 3.29Å; N1173-M1175 WeakPolarHBondContact OD1-CA 3.24Å; N1173-M1175 WeakPolarHBondContact OD1-CB 3.45Å; N1173-M1175 PolarHBondContact OD1-N 3.15Å; M1175-S1177 VanDerWaalsContact C-C 3.48Å; M1175-S1177 CarbonylContact C-O 3.54Å; M1175-S1177 WeakPolarHBondContact CA-O 2.84Å; M1175-S1177 CarbonylContact O-C 3.39Å; M1175-M1179 HydrophobicContact CE-CG 3.34Å; M1175-M1179 HydrophobicContact CE-SD 3.58Å; M1175-M1179 VanDerWaalsContact CE-SD 3.58Å; M1175-Q1200 WeakPolarHBondContact O-CG 3.28Å; M1175-Q1200 PolarHBondContact O-NE2 3.44Å; M1175-Q1200 VanDerWaalsContact O-NE2 3.09Å; M1175-Q1200 PolarHBondContact O-OE1 3.17Å |
| 1176 | G | 68.3 | Low | 68.2 | Low | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -14.3 | 145.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I331 L1168 N1173 | I331-G1176 CarbonylContact C-O 3.57Å; I331-G1176 CarbonylContact O-C 3.52Å; I331-G1176 VanDerWaalsContact O-C 3.29Å; L1168-G1176 WeakPolarHBondContact CD1-O 3.46Å; L1168-G1176 VanDerWaalsContact CD2-CA 3.43Å; L1168-G1176 WeakPolarHBondContact CD2-O 3.19Å; N1173-G1176 PolarHBondContact ND2-N 2.76Å; N1173-G1176 PolarHBondContact O-N 2.59Å; N1173-G1176 PolarHBondContact OD1-N 3Å |
| 1177 | S | 68.7 | Low | 68.7 | Low | 5 Ų | 5 | 28.1 Ų | 28.1 | 4% | 0.035 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -85.7 | -160.9 | 149.3 | -75.4 | 0 | 0 | 0 | 0 | 108.4 | I331 I332 P333 L1168 N1173 P1174 M1175 M1179 | I331-S1177 CarbonylContact O-C 3.59Å; I332-S1177 VanDerWaalsContact CG2-C 3.48Å; P333-S1177 VanDerWaalsContact CB-OG 3.29Å; P333-S1177 WeakPolarHBondContact CB-OG 3.42Å; P333-S1177 WeakPolarHBondContact CD-OG 3.45Å; P333-S1177 WeakPolarHBondContact CG-OG 3.28Å; L1168-S1177 WeakPolarHBondContact CB-OG 3.35Å; L1168-S1177 WeakPolarHBondContact CD1-OG 3.23Å; N1173-S1177 PolarHBondContact O-N 2.96Å; P1174-S1177 VanDerWaalsContact C-CA 3.47Å; P1174-S1177 CarbonylContact O-C 3.49Å; P1174-S1177 WeakPolarHBondContact O-CA 3.35Å; P1174-S1177 WeakPolarHBondContact O-CB 3.44Å; P1174-S1177 PolarHBondContact O-N 2.82Å; M1175-S1177 VanDerWaalsContact C-C 3.48Å; M1175-S1177 CarbonylContact C-O 3.54Å; M1175-S1177 WeakPolarHBondContact CA-O 2.84Å; M1175-S1177 CarbonylContact O-C 3.39Å; S1177-M1179 VanDerWaalsContact C-N 3.27Å; S1177-M1179 PolarHBondContact O-N 2.99Å |
| 1178 | K | 73.3 | Confident | 68.8 | Low | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 52.1 | 4.3 | -167.1 | -118.5 | -103.3 | 163.6 | -129 | 0 | 121.5 | M330 I332 F358 M362 E364 W425 P1174 E1182 | M330-K1178 HydrophobicContact SD-CD 4.27Å; M330-K1178 PolarHBondContact SD-NZ 2.95Å; I332-K1178 HydrophobicContact CB-CB 4.35Å; I332-K1178 HydrophobicContact CB-CG 4.37Å; I332-K1178 HydrophobicContact CD1-CB 4.04Å; I332-K1178 HydrophobicContact CD1-CD 4.1Å; I332-K1178 HydrophobicContact CD1-CG 3.11Å; I332-K1178 VanDerWaalsContact CG1-C 3.45Å; I332-K1178 HydrophobicContact CG1-CB 4.02Å; I332-K1178 HydrophobicContact CG1-CG 3.49Å; I332-K1178 VanDerWaalsContact CG1-CG 3.49Å; I332-K1178 VanDerWaalsContact CG2-CA 3.41Å; I332-K1178 HydrophobicContact CG2-CB 3.6Å; I332-K1178 HydrophobicContact CG2-CG 3.86Å; F358-K1178 HydrophobicContact CD2-CD 4.39Å; F358-K1178 VanDerWaalsContact CE2-NZ 3.26Å; F358-K1178 HydrophobicContact CG-CD 4.5Å; F358-K1178 VanDerWaalsContact CG-CE 3.49Å; M362-K1178 HydrophobicContact CB-CB 4.49Å; M362-K1178 HydrophobicContact CB-CD 3.36Å; M362-K1178 HydrophobicContact CB-CG 4.21Å; M362-K1178 HydrophobicContact CE-CB 3.79Å; M362-K1178 HydrophobicContact CE-CD 3.81Å; M362-K1178 HydrophobicContact CE-CG 4.29Å; M362-K1178 HydrophobicContact CG-CB 3.57Å; M362-K1178 HydrophobicContact CG-CD 3.48Å; M362-K1178 VanDerWaalsContact CG-CD 3.48Å; M362-K1178 HydrophobicContact CG-CG 3.77Å; M362-K1178 HydrophobicContact SD-CB 3.6Å; M362-K1178 HydrophobicContact SD-CD 4.2Å; M362-K1178 HydrophobicContact SD-CG 4.34Å; E364-K1178 IonicContact OE2-NZ 2.8Å; W425-K1178 VanDerWaalsContact CE2-CB 3.45Å; W425-K1178 HydrophobicContact CZ2-CB 3.59Å; P1174-K1178 PolarHBondContact O-N 3.15Å; K1178-E1182 WeakPolarHBondContact CE-OE1 3.13Å; K1178-E1182 IonicContact NZ-OE1 2.82Å; K1178-E1182 PolarHBondContact NZ-OE1 3.39Å; K1178-E1182 IonicContact NZ-OE2 3.01Å; K1178-E1182 PolarHBondContact NZ-OE2 3.48Å |
| 1179 | M | 70.4 | Confident | 69.2 | Low | 15 Ų | 15 | 36 Ų | 36 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -131.1 | 0 | 171.6 | -48.4 | 176.2 | 30.7 | 0 | 0 | 119.9 | N329 M330 I331 I332 T423 M1175 S1177 R1181 E1182 Q1200 | N329-M1179 WeakPolarHBondContact O-CE 3.36Å; M330-M1179 VanDerWaalsContact C-CA 3.46Å; M330-M1179 VanDerWaalsContact CB-CA 3.41Å; M330-M1179 HydrophobicContact CB-CB 3.28Å; M330-M1179 HydrophobicContact CB-CE 4.34Å; M330-M1179 HydrophobicContact CB-CG 4.09Å; M330-M1179 HydrophobicContact CE-CG 3.91Å; M330-M1179 HydrophobicContact CG-CB 3.36Å; M330-M1179 HydrophobicContact CG-CE 3.95Å; M330-M1179 HydrophobicContact CG-CG 3.55Å; M330-M1179 HydrophobicContact CG-SD 4.29Å; M330-M1179 CarbonylContact O-C 3.58Å; M330-M1179 HydrophobicContact SD-CB 3.56Å; M330-M1179 VanDerWaalsContact SD-CB 3.56Å; M330-M1179 HydrophobicContact SD-CG 3.48Å; M330-M1179 WeakPolarHBondContact SD-CG 3.4Å; I331-M1179 HydrophobicContact CB-CB 3.79Å; I331-M1179 HydrophobicContact CB-CE 4.14Å; I331-M1179 HydrophobicContact CD1-CE 3.7Å; I331-M1179 HydrophobicContact CG1-CE 3.79Å; I331-M1179 WeakPolarHBondContact O-CA 3.39Å; I331-M1179 WeakPolarHBondContact O-CB 3.43Å; I331-M1179 PolarHBondContact O-N 3.31Å; I332-M1179 VanDerWaalsContact CG1-CA 3.42Å; I332-M1179 WeakPolarHBondContact CG1-O 3.44Å; T423-M1179 HydrophobicContact CG2-CG 4.3Å; T423-M1179 HydrophobicContact CG2-SD 3.8Å; T423-M1179 PolarHBondContact OG1-SD 3.42Å; M1175-M1179 HydrophobicContact CE-CG 3.34Å; M1175-M1179 HydrophobicContact CE-SD 3.58Å; M1175-M1179 VanDerWaalsContact CE-SD 3.58Å; S1177-M1179 VanDerWaalsContact C-N 3.27Å; S1177-M1179 PolarHBondContact O-N 2.99Å; M1179-R1181 VanDerWaalsContact C-N 3.25Å; M1179-R1181 CarbonylContact O-C 2.89Å; M1179-R1181 PolarHBondContact O-N 3.27Å; M1179-E1182 WeakPolarHBondContact O-CA 3.37Å; M1179-E1182 WeakPolarHBondContact O-CB 3.27Å; M1179-E1182 VanDerWaalsContact O-CG 3.29Å; M1179-E1182 WeakPolarHBondContact O-CG 3.26Å; M1179-E1182 PolarHBondContact O-N 2.56Å; M1179-Q1200 PolarHBondContact SD-NE2 3.21Å |
| 1180 | L | 72.4 | Confident | 69.8 | Low | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | S | Bend | 0 | 29.8 | 0 | -174.5 | -171.8 | 0 | 0 | 0 | 120.6 | M330 I331 I332 E334 K337 L1161 E1182 F1183 Q1193 E1196 L1197 | M330-L1180 WeakPolarHBondContact O-CA 3.49Å; M330-L1180 PolarHBondContact O-N 2.91Å; I331-L1180 HydrophobicContact CB-CB 4.48Å; I331-L1180 HydrophobicContact CG2-CB 4.4Å; I331-L1180 HydrophobicContact CG2-CD1 4.1Å; I332-L1180 CarbonylContact C-O 3.51Å; I332-L1180 VanDerWaalsContact CA-C 3.46Å; I332-L1180 VanDerWaalsContact N-C 3.25Å; I332-L1180 CarbonylContact O-C 3.29Å; I332-L1180 VanDerWaalsContact O-CB 3.31Å; I332-L1180 WeakPolarHBondContact O-CB 3.23Å; I332-L1180 WeakPolarHBondContact O-CD2 3.2Å; E334-L1180 HydrophobicContact CG-CD2 3.97Å; K337-L1180 WeakPolarHBondContact CE-O 3.3Å; K337-L1180 VanDerWaalsContact NZ-C 3.29Å; K337-L1180 PolarHBondContact NZ-O 2.95Å; L1161-L1180 HydrophobicContact CD2-CD1 4.2Å; L1161-L1180 HydrophobicContact CD2-CD2 3.99Å; L1180-E1182 VanDerWaalsContact C-N 3.26Å; L1180-F1183 HydrophobicContact CB-CB 3.88Å; L1180-F1183 HydrophobicContact CG-CB 4.23Å; L1180-Q1193 WeakPolarHBondContact CD1-O 3.41Å; L1180-E1196 HydrophobicContact CB-CB 4.42Å; L1180-E1196 HydrophobicContact CB-CG 3.85Å; L1180-E1196 HydrophobicContact CD1-CB 3.69Å; L1180-E1196 HydrophobicContact CD1-CG 3.87Å; L1180-E1196 HydrophobicContact CG-CB 4.18Å; L1180-E1196 HydrophobicContact CG-CG 4.18Å; L1180-L1197 HydrophobicContact CD1-CB 3.62Å; L1180-L1197 HydrophobicContact CD1-CD1 4.47Å | |
| 1181 | R | 72.1 | Confident | 70.5 | Confident | 26 Ų | 26 | 35.2 Ų | 35.2 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -108.3 | 23.6 | 133.2 | -165.2 | -160.1 | -34.8 | 161.2 | 11.3 | 106.8 | I332 P333 G336 K337 L340 M1179 | I332-R1181 VanDerWaalsContact CA-N 3.28Å; I332-R1181 HydrophobicContact CB-CB 3.29Å; I332-R1181 HydrophobicContact CD1-CB 3.37Å; I332-R1181 HydrophobicContact CD1-CG 4.2Å; I332-R1181 HydrophobicContact CG1-CB 3.3Å; I332-R1181 HydrophobicContact CG2-CB 3.83Å; P333-R1181 WeakPolarHBondContact O-CB 3.27Å; P333-R1181 WeakPolarHBondContact O-CD 3.39Å; P333-R1181 VanDerWaalsContact O-CG 3.25Å; P333-R1181 WeakPolarHBondContact O-CG 3.38Å; P333-R1181 PolarHBondContact O-NE 3.38Å; G336-R1181 VanDerWaalsContact O-CD 3.22Å; G336-R1181 WeakPolarHBondContact O-CD 3.38Å; G336-R1181 WeakPolarHBondContact O-CG 3.41Å; K337-R1181 WeakPolarHBondContact CA-O 3.34Å; K337-R1181 HydrophobicContact CB-CG 4.45Å; K337-R1181 VanDerWaalsContact CD-CA 3.42Å; K337-R1181 WeakPolarHBondContact CD-O 3.44Å; K337-R1181 HydrophobicContact CG-CB 4.34Å; K337-R1181 HydrophobicContact CG-CG 4.2Å; L340-R1181 HydrophobicContact CD1-CB 4.26Å; L340-R1181 HydrophobicContact CD1-CG 3.87Å; M1179-R1181 VanDerWaalsContact C-N 3.25Å; M1179-R1181 CarbonylContact O-C 2.89Å; M1179-R1181 PolarHBondContact O-N 3.27Å |
| 1182 | E | 72.5 | Confident | 70.8 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -130.1 | -37.8 | 161.8 | -60.6 | 159.2 | 156.1 | 0 | 0 | 114.2 | P328 M330 I332 L340 F358 K1178 M1179 L1180 K1184 S1185 K1186 | P328-E1182 VanDerWaalsContact CB-CD 3.47Å; P328-E1182 HydrophobicContact CB-CG 4.42Å; P328-E1182 WeakPolarHBondContact CB-OE2 3.25Å; P328-E1182 HydrophobicContact CG-CB 3.85Å; P328-E1182 HydrophobicContact CG-CG 3.71Å; P328-E1182 WeakPolarHBondContact CG-OE1 3.28Å; M330-E1182 WeakPolarHBondContact CB-OE2 3.2Å; I332-E1182 HydrophobicContact CD1-CG 4.43Å; L340-E1182 HydrophobicContact CD2-CG 3.61Å; L340-E1182 WeakPolarHBondContact CD2-OE1 3.29Å; F358-E1182 WeakPolarHBondContact CD1-OE1 3.39Å; F358-E1182 WeakPolarHBondContact CE1-OE1 3.22Å; K1178-E1182 WeakPolarHBondContact CE-OE1 3.13Å; K1178-E1182 IonicContact NZ-OE1 2.82Å; K1178-E1182 PolarHBondContact NZ-OE1 3.39Å; K1178-E1182 IonicContact NZ-OE2 3.01Å; K1178-E1182 PolarHBondContact NZ-OE2 3.48Å; M1179-E1182 WeakPolarHBondContact O-CA 3.37Å; M1179-E1182 WeakPolarHBondContact O-CB 3.27Å; M1179-E1182 VanDerWaalsContact O-CG 3.29Å; M1179-E1182 WeakPolarHBondContact O-CG 3.26Å; M1179-E1182 PolarHBondContact O-N 2.56Å; L1180-E1182 VanDerWaalsContact C-N 3.26Å; E1182-K1184 PolarHBondContact O-N 2.73Å; E1182-S1185 WeakPolarHBondContact CA-OG 3.23Å; E1182-S1185 CarbonylContact O-C 3.43Å; E1182-S1185 WeakPolarHBondContact O-CA 3.37Å; E1182-S1185 PolarHBondContact O-N 2.7Å; E1182-S1185 PolarHBondContact O-OG 3.06Å; E1182-K1186 PolarHBondContact O-N 3.07Å |
| 1183 | F | 71.5 | Confident | 71.6 | Confident | 9 Ų | 9 | 29.5 Ų | 29.5 | 4% | 0.039 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 34.1 | 172 | -119.1 | -92.2 | 0 | 0 | 0 | 119.6 | M330 K337 S389 L1180 K1186 E1187 Q1193 E1196 | M330-F1183 VanDerWaalsContact O-CB 3.23Å; M330-F1183 WeakPolarHBondContact O-CB 3.49Å; M330-F1183 WeakPolarHBondContact O-CD2 3.45Å; M330-F1183 PolarHBondContact O-N 3.32Å; K337-F1183 VanDerWaalsContact NZ-C 3.31Å; S389-F1183 VanDerWaalsContact O-CE1 3.3Å; S389-F1183 WeakPolarHBondContact O-CE1 3.46Å; L1180-F1183 HydrophobicContact CB-CB 3.88Å; L1180-F1183 HydrophobicContact CG-CB 4.23Å; F1183-K1186 HydrophobicContact CD2-CD 3.95Å; F1183-K1186 HydrophobicContact CE2-CD 4Å; F1183-E1187 HydrophobicContact CD1-CB 3.74Å; F1183-E1187 HydrophobicContact CD1-CG 3.46Å; F1183-E1187 VanDerWaalsContact CD1-CG 3.46Å; F1183-E1187 HydrophobicContact CE1-CB 4.01Å; F1183-E1187 HydrophobicContact CE1-CG 3.29Å; F1183-E1187 HydrophobicContact CG-CB 4.5Å; F1183-E1187 HydrophobicContact CG-CG 4.14Å; F1183-E1187 HydrophobicContact CZ-CG 3.93Å; F1183-Q1193 WeakPolarHBondContact O-CG 3.05Å; F1183-E1196 HydrophobicContact CB-CB 3.95Å; F1183-E1196 HydrophobicContact CB-CG 3.51Å; F1183-E1196 HydrophobicContact CD1-CB 3.74Å; F1183-E1196 HydrophobicContact CD1-CG 3.83Å; F1183-E1196 HydrophobicContact CD2-CG 3.74Å; F1183-E1196 WeakPolarHBondContact CD2-OE1 3.29Å; F1183-E1196 HydrophobicContact CE1-CB 4.41Å; F1183-E1196 HydrophobicContact CE2-CG 4.38Å; F1183-E1196 WeakPolarHBondContact CE2-OE1 3.42Å; F1183-E1196 HydrophobicContact CG-CB 3.83Å; F1183-E1196 VanDerWaalsContact CG-CD 3.49Å; F1183-E1196 HydrophobicContact CG-CG 3.39Å |
| 1184 | K | 70 | Confident | 72.1 | Confident | 75 Ų | 75 | 28.4 Ų | 28.4 | 33% | 0.326 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -157.1 | 4.2 | 174.1 | 176.5 | -176.7 | -161.6 | 157.7 | 0 | 109 | E334 K337 E1182 E1187 Q1193 | E334-K1184 WeakPolarHBondContact OE1-CD 3.16Å; E334-K1184 IonicContact OE1-NZ 3.96Å; E334-K1184 PolarHBondContact OE1-NZ 3.13Å; E334-K1184 IonicContact OE2-NZ 3.17Å; E334-K1184 PolarHBondContact OE2-NZ 3.41Å; E334-K1184 VanDerWaalsContact OE2-NZ 3.08Å; K337-K1184 HydrophobicContact CD-CB 3.38Å; K337-K1184 HydrophobicContact CD-CG 4.26Å; K337-K1184 HydrophobicContact CG-CB 3.82Å; K337-K1184 HydrophobicContact CG-CD 4.03Å; K337-K1184 HydrophobicContact CG-CG 4.21Å; K337-K1184 VanDerWaalsContact NZ-N 3.17Å; E1182-K1184 PolarHBondContact O-N 2.73Å; K1184-E1187 VanDerWaalsContact CA-O 3.26Å; K1184-E1187 WeakPolarHBondContact CA-O 3.49Å; K1184-Q1193 VanDerWaalsContact CB-CD 3.47Å; K1184-Q1193 HydrophobicContact CB-CG 3.73Å; K1184-Q1193 HydrophobicContact CG-CG 4.34Å; K1184-Q1193 VanDerWaalsContact CG-NE2 3.32Å |
| 1185 | S | 71.5 | Confident | 72.5 | Confident | 44 Ų | 44 | 27.7 Ų | 27.7 | 31% | 0.308 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -34.1 | 158 | 67.2 | 0 | 0 | 0 | 0 | 110.2 | T311 E1182 | T311-S1185 WeakPolarHBondContact CB-OG 3.48Å; T311-S1185 WeakPolarHBondContact CG2-OG 3.24Å; T311-S1185 PolarHBondContact OG1-OG 2.84Å; E1182-S1185 WeakPolarHBondContact CA-OG 3.23Å; E1182-S1185 CarbonylContact O-C 3.43Å; E1182-S1185 WeakPolarHBondContact O-CA 3.37Å; E1182-S1185 PolarHBondContact O-N 2.7Å; E1182-S1185 PolarHBondContact O-OG 3.06Å |
| 1186 | K | 71.1 | Confident | 73 | Confident | 44 Ų | 44 | 26.4 Ų | 26.4 | 19% | 0.191 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -62.4 | -59 | 153.4 | -72 | -174.7 | 145 | 171.4 | 0 | 110.4 | A327 P328 E1182 F1183 | A327-K1186 HydrophobicContact CB-CD 4.32Å; A327-K1186 HydrophobicContact CB-CG 4.15Å; A327-K1186 WeakPolarHBondContact O-CE 3.4Å; A327-K1186 PolarHBondContact O-NZ 2.58Å; P328-K1186 WeakPolarHBondContact O-CD 3.42Å; P328-K1186 WeakPolarHBondContact O-CE 3.14Å; P328-K1186 PolarHBondContact O-NZ 3.05Å; E1182-K1186 PolarHBondContact O-N 3.07Å; F1183-K1186 HydrophobicContact CD2-CD 3.95Å; F1183-K1186 HydrophobicContact CE2-CD 4Å |
| 1187 | E | 74.3 | Confident | 73.1 | Confident | 28 Ų | 28 | 26.4 Ų | 26.4 | 13% | 0.131 | 14% | 0.136 | C | C | . | . | trans | -130.9 | 108.1 | -148.6 | -63.2 | -45.3 | -160.4 | 0 | 0 | 115.8 | Q390 N391 F1183 K1184 Q1193 | Q390-E1187 VanDerWaalsContact C-CG 3.44Å; Q390-E1187 WeakPolarHBondContact O-CB 3.42Å; Q390-E1187 WeakPolarHBondContact O-CG 3.35Å; N391-E1187 WeakPolarHBondContact CA-OE2 3.33Å; N391-E1187 HydrophobicContact CB-CB 3.66Å; N391-E1187 HydrophobicContact CB-CG 3.98Å; N391-E1187 WeakPolarHBondContact CB-OE2 3.35Å; N391-E1187 PolarHBondContact N-OE1 3.07Å; N391-E1187 PolarHBondContact N-OE2 3.08Å; F1183-E1187 HydrophobicContact CD1-CB 3.74Å; F1183-E1187 HydrophobicContact CD1-CG 3.46Å; F1183-E1187 VanDerWaalsContact CD1-CG 3.46Å; F1183-E1187 HydrophobicContact CE1-CB 4.01Å; F1183-E1187 HydrophobicContact CE1-CG 3.29Å; F1183-E1187 HydrophobicContact CG-CB 4.5Å; F1183-E1187 HydrophobicContact CG-CG 4.14Å; F1183-E1187 HydrophobicContact CZ-CG 3.93Å; K1184-E1187 VanDerWaalsContact CA-O 3.26Å; K1184-E1187 WeakPolarHBondContact CA-O 3.49Å; E1187-Q1193 PolarHBondContact O-NE2 3.02Å | ||
| 1188 | P | 68.8 | Low | 73.4 | Confident | 95 Ų | 95 | 26.2 Ų | 26.2 | 62% | 0.617 | 14% | 0.135 | S | C | * | . | trans | -77.8 | -24.7 | -164.9 | 25.7 | -37 | 0 | 0 | 0 | 120 | Q1193 | P1188-Q1193 PolarHBondContact O-NE2 2.05Š| ||
| 1189 | E | 76.2 | Confident | 73.2 | Confident | 71 Ų | 71 | 29.1 Ų | 29.1 | 33% | 0.332 | 15% | 0.15 | S | C | . | . | trans | -71.6 | 143.4 | -179 | -85 | 109.9 | -120.6 | 0 | 0 | 112.1 | N391 E1191 A1192 Q1193 C1214 R1216 | N391-E1189 WeakPolarHBondContact ND2-CB 3.47Å; N391-E1189 PolarHBondContact ND2-N 3.35Å; N391-E1189 PolarHBondContact ND2-OE1 2.75Å; N391-E1189 PolarHBondContact ND2-OE2 3.12Å; N391-E1189 PolarHBondContact OD1-OE2 2.8Å; E1189-E1191 VanDerWaalsContact C-N 3.32Å; E1189-A1192 HydrophobicContact CB-CB 3.83Å; E1189-A1192 WeakPolarHBondContact O-CB 3.36Å; E1189-Q1193 WeakPolarHBondContact O-CB 3.33Å; E1189-Q1193 WeakPolarHBondContact O-CG 3.29Å; E1189-Q1193 PolarHBondContact O-N 2.77Å; E1189-Q1193 PolarHBondContact O-NE2 3.19Å; E1189-C1214 HydrophobicContact CB-CB 3.64Å; E1189-C1214 HydrophobicContact CG-CB 3.68Å; E1189-R1216 WeakPolarHBondContact OE2-CD 3.16Å; E1189-R1216 WeakPolarHBondContact OE2-CG 3.37Å | ||
| 1190 | L | 75.6 | Confident | 73.3 | Confident | 82 Ų | 82 | 30.6 Ų | 30.6 | 43% | 0.429 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -70.6 | -33.7 | -178.8 | -82.6 | 167 | 0 | 0 | 0 | 111.2 | C1159 L1161 Q1193 A1194 | C1159-L1190 HydrophobicContact CB-CB 4.29Å; L1161-L1190 HydrophobicContact CD1-CD2 4.03Å; L1161-L1190 WeakPolarHBondContact CD1-O 3.4Å; L1190-Q1193 WeakPolarHBondContact O-CB 3.01Å; L1190-A1194 WeakPolarHBondContact O-CA 3.2Å; L1190-A1194 WeakPolarHBondContact O-CB 3.42Å; L1190-A1194 PolarHBondContact O-N 2.73Å |
| 1191 | E | 75.1 | Confident | 72.9 | Confident | 55 Ų | 55 | 31 Ų | 31 | 26% | 0.257 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -74 | -41.8 | -177.8 | -53.6 | 67.1 | -153.8 | 0 | 0 | 109.7 | C1159 E1189 A1194 G1195 L1210 Q1213 C1214 | C1159-E1191 VanDerWaalsContact SG-CA 3.56Å; E1189-E1191 VanDerWaalsContact C-N 3.32Å; E1191-A1194 PolarHBondContact O-N 3.01Å; E1191-G1195 PolarHBondContact O-N 2.81Å; E1191-L1210 HydrophobicContact CB-CB 4.15Å; E1191-L1210 WeakPolarHBondContact CB-O 3.37Å; E1191-L1210 WeakPolarHBondContact O-CB 3.47Å; E1191-Q1213 HydrophobicContact CB-CB 4.07Å; E1191-Q1213 HydrophobicContact CG-CB 3.88Å; E1191-C1214 HydrophobicContact CB-CB 3.98Å |
| 1192 | A | 75.3 | Confident | 72.3 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.8 | -61.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111 | S389 Q390 N391 E1189 A1194 G1195 E1196 C1214 | S389-A1192 VanDerWaalsContact CB-O 3.24Å; S389-A1192 WeakPolarHBondContact CB-O 3.35Å; S389-A1192 CarbonylContact O-C 3.48Å; S389-A1192 VanDerWaalsContact O-CA 3.23Å; S389-A1192 WeakPolarHBondContact O-CA 3.18Å; S389-A1192 VanDerWaalsContact O-CB 3.25Å; S389-A1192 WeakPolarHBondContact O-CB 3.17Å; S389-A1192 PolarHBondContact OG-O 3.42Å; Q390-A1192 HydrophobicContact CB-CB 3.98Å; Q390-A1192 WeakPolarHBondContact O-CB 3.39Å; N391-A1192 WeakPolarHBondContact OD1-CB 3.46Å; E1189-A1192 HydrophobicContact CB-CB 3.83Å; E1189-A1192 WeakPolarHBondContact O-CB 3.36Å; A1192-A1194 PolarHBondContact O-N 3.04Å; A1192-G1195 PolarHBondContact O-N 3.31Å; A1192-G1195 VanDerWaalsContact O-N 3.13Å; A1192-E1196 PolarHBondContact O-N 3.23Å; A1192-C1214 PolarHBondContact N-SG 3.32Å; A1192-C1214 VanDerWaalsContact N-SG 3.37Å |
| 1193 | Q | 77.1 | Confident | 71.9 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -50.3 | -37.4 | 175.4 | -75.4 | 151.7 | 42.4 | 0 | 0 | 113.7 | L1161 L1180 F1183 K1184 E1187 P1188 E1189 L1190 E1196 L1197 | L1161-Q1193 HydrophobicContact CD1-CB 3.29Å; L1161-Q1193 HydrophobicContact CD1-CG 4.37Å; L1180-Q1193 WeakPolarHBondContact CD1-O 3.41Å; F1183-Q1193 WeakPolarHBondContact O-CG 3.05Å; K1184-Q1193 VanDerWaalsContact CB-CD 3.47Å; K1184-Q1193 HydrophobicContact CB-CG 3.73Å; K1184-Q1193 HydrophobicContact CG-CG 4.34Å; K1184-Q1193 VanDerWaalsContact CG-NE2 3.32Å; E1187-Q1193 PolarHBondContact O-NE2 3.02Å; P1188-Q1193 PolarHBondContact O-NE2 2.05Å; E1189-Q1193 WeakPolarHBondContact O-CB 3.33Å; E1189-Q1193 WeakPolarHBondContact O-CG 3.29Å; E1189-Q1193 PolarHBondContact O-N 2.77Å; E1189-Q1193 PolarHBondContact O-NE2 3.19Å; L1190-Q1193 WeakPolarHBondContact O-CB 3.01Å; Q1193-E1196 VanDerWaalsContact O-CB 3.28Å; Q1193-E1196 WeakPolarHBondContact O-CB 3.1Å; Q1193-E1196 PolarHBondContact O-N 3.23Å; Q1193-L1197 PolarHBondContact O-N 2.64Å |
| 1194 | A | 78.9 | Confident | 71.6 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -75.9 | -39.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1156 C1159 L1161 L1190 E1191 A1192 E1196 L1197 L1210 | V1156-A1194 WeakPolarHBondContact CG1-O 3.02Å; V1156-A1194 VanDerWaalsContact O-CB 3.3Å; V1156-A1194 WeakPolarHBondContact O-CB 2.99Å; C1159-A1194 HydrophobicContact CB-CB 3.47Å; C1159-A1194 VanDerWaalsContact CB-CB 3.47Å; C1159-A1194 WeakPolarHBondContact SG-CB 3.11Å; L1161-A1194 HydrophobicContact CD1-CB 4.03Å; L1161-A1194 HydrophobicContact CD2-CB 4.12Å; L1161-A1194 HydrophobicContact CG-CB 4.08Å; L1190-A1194 WeakPolarHBondContact O-CA 3.2Å; L1190-A1194 WeakPolarHBondContact O-CB 3.42Å; L1190-A1194 PolarHBondContact O-N 2.73Å; E1191-A1194 PolarHBondContact O-N 3.01Å; A1192-A1194 PolarHBondContact O-N 3.04Å; A1194-E1196 PolarHBondContact O-N 3.27Å; A1194-E1196 VanDerWaalsContact O-N 3.1Å; A1194-L1197 WeakPolarHBondContact O-CB 3.47Å; A1194-L1197 PolarHBondContact O-N 2.81Å; A1194-L1210 HydrophobicContact CB-CD1 3.31Å |
| 1195 | G | 74.7 | Confident | 71.3 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -53.6 | -23.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S388 E1191 A1192 A1198 | S388-G1195 WeakPolarHBondContact CB-O 3.48Å; E1191-G1195 PolarHBondContact O-N 2.81Å; A1192-G1195 PolarHBondContact O-N 3.31Å; A1192-G1195 VanDerWaalsContact O-N 3.13Å; G1195-A1198 WeakPolarHBondContact O-CA 3.16Å; G1195-A1198 WeakPolarHBondContact O-CB 3.38Å; G1195-A1198 PolarHBondContact O-N 2.81Å |
| 1196 | E | 75.9 | Confident | 71 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.019 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -77.9 | -40.4 | -168.9 | 176.6 | 71.6 | 161.8 | 0 | 0 | 109 | M330 I331 S388 S389 L1180 F1183 A1192 Q1193 A1194 A1198 L1199 | M330-E1196 WeakPolarHBondContact CA-OE1 3.49Å; M330-E1196 PolarHBondContact N-OE1 2.87Å; I331-E1196 HydrophobicContact CB-CG 3.91Å; I331-E1196 HydrophobicContact CG1-CG 3.5Å; I331-E1196 VanDerWaalsContact CG1-CG 3.5Å; I331-E1196 VanDerWaalsContact CG1-O 3.24Å; I331-E1196 WeakPolarHBondContact CG1-O 3.16Å; I331-E1196 WeakPolarHBondContact CG1-OE1 3.36Å; I331-E1196 HydrophobicContact CG2-CG 4.11Å; I331-E1196 WeakPolarHBondContact CG2-O 3.33Å; I331-E1196 PolarHBondContact N-OE1 3.11Å; S388-E1196 WeakPolarHBondContact CA-OE2 3.34Å; S388-E1196 WeakPolarHBondContact CB-OE2 3.24Å; S388-E1196 WeakPolarHBondContact OG-CA 2.93Å; S388-E1196 PolarHBondContact OG-O 3.01Å; S388-E1196 PolarHBondContact OG-OE2 3.23Å; S389-E1196 PolarHBondContact N-OE2 3.13Å; S389-E1196 WeakPolarHBondContact OG-CA 3.31Å; S389-E1196 WeakPolarHBondContact OG-CB 2.98Å; S389-E1196 PolarHBondContact OG-N 2.88Å; L1180-E1196 HydrophobicContact CB-CB 4.42Å; L1180-E1196 HydrophobicContact CB-CG 3.85Å; L1180-E1196 HydrophobicContact CD1-CB 3.69Å; L1180-E1196 HydrophobicContact CD1-CG 3.87Å; L1180-E1196 HydrophobicContact CG-CB 4.18Å; L1180-E1196 HydrophobicContact CG-CG 4.18Å; F1183-E1196 HydrophobicContact CB-CB 3.95Å; F1183-E1196 HydrophobicContact CB-CG 3.51Å; F1183-E1196 HydrophobicContact CD1-CB 3.74Å; F1183-E1196 HydrophobicContact CD1-CG 3.83Å; F1183-E1196 HydrophobicContact CD2-CG 3.74Å; F1183-E1196 WeakPolarHBondContact CD2-OE1 3.29Å; F1183-E1196 HydrophobicContact CE1-CB 4.41Å; F1183-E1196 HydrophobicContact CE2-CG 4.38Å; F1183-E1196 WeakPolarHBondContact CE2-OE1 3.42Å; F1183-E1196 HydrophobicContact CG-CB 3.83Å; F1183-E1196 VanDerWaalsContact CG-CD 3.49Å; F1183-E1196 HydrophobicContact CG-CG 3.39Å; A1192-E1196 PolarHBondContact O-N 3.23Å; Q1193-E1196 VanDerWaalsContact O-CB 3.28Å; Q1193-E1196 WeakPolarHBondContact O-CB 3.1Å; Q1193-E1196 PolarHBondContact O-N 3.23Å; A1194-E1196 PolarHBondContact O-N 3.27Å; A1194-E1196 VanDerWaalsContact O-N 3.1Å; E1196-A1198 PolarHBondContact O-N 3Å; E1196-L1199 PolarHBondContact O-N 2.54Å |
| 1197 | L | 70.6 | Confident | 71.2 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -54.8 | -17.4 | 169.4 | -168.2 | 51.3 | 0 | 0 | 0 | 112.2 | I331 V1156 L1161 A1164 L1168 L1180 Q1193 A1194 I1201 | I331-L1197 HydrophobicContact CG2-CD1 4.49Å; V1156-L1197 VanDerWaalsContact CA-CD2 3.45Å; V1156-L1197 HydrophobicContact CB-CB 4.21Å; V1156-L1197 HydrophobicContact CB-CD2 4.33Å; V1156-L1197 HydrophobicContact CB-CG 4.1Å; V1156-L1197 HydrophobicContact CG1-CB 4.01Å; V1156-L1197 HydrophobicContact CG1-CG 4.42Å; V1156-L1197 HydrophobicContact CG2-CB 4.13Å; V1156-L1197 HydrophobicContact CG2-CD2 4.23Å; V1156-L1197 HydrophobicContact CG2-CG 3.67Å; V1156-L1197 VanDerWaalsContact N-CD2 3.29Å; L1161-L1197 HydrophobicContact CD2-CB 4.1Å; L1161-L1197 HydrophobicContact CD2-CD2 3.71Å; A1164-L1197 HydrophobicContact CB-CD1 4.46Å; A1164-L1197 HydrophobicContact CB-CD2 3.03Å; A1164-L1197 HydrophobicContact CB-CG 4.36Å; L1168-L1197 HydrophobicContact CD1-CD1 3.79Å; L1168-L1197 HydrophobicContact CD2-CD1 4.25Å; L1168-L1197 HydrophobicContact CG-CD1 4.31Å; L1180-L1197 HydrophobicContact CD1-CB 3.62Å; L1180-L1197 HydrophobicContact CD1-CD1 4.47Å; Q1193-L1197 PolarHBondContact O-N 2.64Å; A1194-L1197 WeakPolarHBondContact O-CB 3.47Å; A1194-L1197 PolarHBondContact O-N 2.81Å; L1197-I1201 HydrophobicContact CD1-CD1 3.64Å; L1197-I1201 HydrophobicContact CD1-CG1 4.17Å; L1197-I1201 HydrophobicContact CG-CD1 3.79Å; L1197-I1201 WeakPolarHBondContact O-CD1 3.16Å; L1197-I1201 WeakPolarHBondContact O-CG1 3.42Å |
| 1198 | A | 73.4 | Confident | 71 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71.2 | -47 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | M1132 V1156 G1195 E1196 Q1200 G1202 M1203 A1207 | M1132-A1198 HydrophobicContact CE-CB 4.44Å; M1132-A1198 WeakPolarHBondContact CE-O 3.13Å; M1132-A1198 WeakPolarHBondContact SD-CA 3.03Å; M1132-A1198 HydrophobicContact SD-CB 3.41Å; M1132-A1198 WeakPolarHBondContact SD-CB 3.12Å; M1132-A1198 VanDerWaalsContact SD-O 3.39Å; V1156-A1198 HydrophobicContact CG1-CB 3.63Å; G1195-A1198 WeakPolarHBondContact O-CA 3.16Å; G1195-A1198 WeakPolarHBondContact O-CB 3.38Å; G1195-A1198 PolarHBondContact O-N 2.81Å; E1196-A1198 PolarHBondContact O-N 3Å; A1198-Q1200 VanDerWaalsContact C-N 3.32Å; A1198-Q1200 PolarHBondContact O-N 3.3Å; A1198-G1202 PolarHBondContact O-N 3.42Å; A1198-M1203 PolarHBondContact O-N 3.11Å; A1198-A1207 HydrophobicContact CB-CB 3.77Å |
| 1199 | L | 68.7 | Low | 71.1 | Confident | 61 Ų | 61 | 24.3 Ų | 24.3 | 32% | 0.319 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -60.3 | -40.8 | 178 | -91.4 | -174.7 | 0 | 0 | 0 | 112.4 | I331 T387 S388 E1196 I1201 G1202 T1204 | I331-L1199 HydrophobicContact CD1-CB 3.36Å; I331-L1199 HydrophobicContact CD1-CD1 4.23Å; I331-L1199 HydrophobicContact CD1-CG 4.43Å; T387-L1199 VanDerWaalsContact C-CG 3.45Å; T387-L1199 WeakPolarHBondContact O-CG 3.39Å; S388-L1199 VanDerWaalsContact OG-CB 3.25Å; S388-L1199 WeakPolarHBondContact OG-CB 3.3Å; S388-L1199 VanDerWaalsContact OG-CD1 3.31Å; S388-L1199 WeakPolarHBondContact OG-CD1 3.47Å; S388-L1199 WeakPolarHBondContact OG-CG 3.45Å; E1196-L1199 PolarHBondContact O-N 2.54Å; L1199-I1201 VanDerWaalsContact C-N 3.32Å; L1199-I1201 PolarHBondContact O-N 3.15Å; L1199-G1202 PolarHBondContact O-N 3.32Å; L1199-T1204 HydrophobicContact CD2-CG2 3.79Å |
| 1200 | Q | 72.5 | Confident | 71.1 | Confident | 47 Ų | 47 | 21 Ų | 21 | 22% | 0.22 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66 | -39.6 | -168.6 | -100 | -64 | -23 | 0 | 0 | 113.7 | I331 M1175 M1179 A1198 | I331-Q1200 HydrophobicContact CB-CB 4.11Å; I331-Q1200 HydrophobicContact CB-CG 3.27Å; I331-Q1200 HydrophobicContact CD1-CB 4.17Å; I331-Q1200 HydrophobicContact CD1-CG 3.52Å; I331-Q1200 HydrophobicContact CG1-CG 3.89Å; I331-Q1200 HydrophobicContact CG2-CB 3.45Å; I331-Q1200 VanDerWaalsContact CG2-CB 3.45Å; I331-Q1200 HydrophobicContact CG2-CG 3.18Å; M1175-Q1200 WeakPolarHBondContact O-CG 3.28Å; M1175-Q1200 PolarHBondContact O-NE2 3.44Å; M1175-Q1200 VanDerWaalsContact O-NE2 3.09Å; M1175-Q1200 PolarHBondContact O-OE1 3.17Å; M1179-Q1200 PolarHBondContact SD-NE2 3.21Å; A1198-Q1200 VanDerWaalsContact C-N 3.32Å; A1198-Q1200 PolarHBondContact O-N 3.3Å |
| 1201 | I | 65.8 | Low | 71.3 | Confident | 8 Ų | 8 | 17.1 Ų | 17.1 | 4% | 0.041 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -97.9 | -18.5 | -173 | -22.3 | 149.1 | 0 | 0 | 0 | 108.7 | M1132 Q1149 T1152 K1153 V1156 L1168 I1171 L1197 L1199 | M1132-I1201 HydrophobicContact CE-CB 3.82Å; M1132-I1201 HydrophobicContact CE-CD1 4.04Å; M1132-I1201 HydrophobicContact CE-CG1 4.32Å; Q1149-I1201 HydrophobicContact CG-CG2 4.48Å; T1152-I1201 HydrophobicContact CG2-CD1 3.25Å; T1152-I1201 HydrophobicContact CG2-CG1 4.12Å; T1152-I1201 VanDerWaalsContact O-CD1 3.22Å; T1152-I1201 WeakPolarHBondContact O-CD1 3.37Å; K1153-I1201 HydrophobicContact CB-CB 4.39Å; K1153-I1201 HydrophobicContact CB-CG2 4.08Å; K1153-I1201 HydrophobicContact CD-CG2 4.46Å; K1153-I1201 WeakPolarHBondContact CD-O 3.47Å; K1153-I1201 HydrophobicContact CG-CB 3.6Å; K1153-I1201 HydrophobicContact CG-CG2 3.24Å; K1153-I1201 VanDerWaalsContact CG-O 3.24Å; K1153-I1201 WeakPolarHBondContact CG-O 3.19Å; V1156-I1201 HydrophobicContact CG2-CD1 3.55Å; L1168-I1201 HydrophobicContact CD2-CG1 4.49Å; I1171-I1201 HydrophobicContact CD1-CG2 4.32Å; L1197-I1201 HydrophobicContact CD1-CD1 3.64Å; L1197-I1201 HydrophobicContact CD1-CG1 4.17Å; L1197-I1201 HydrophobicContact CG-CD1 3.79Å; L1197-I1201 WeakPolarHBondContact O-CD1 3.16Å; L1197-I1201 WeakPolarHBondContact O-CG1 3.42Å; L1199-I1201 VanDerWaalsContact C-N 3.32Å; L1199-I1201 PolarHBondContact O-N 3.15Å |
| 1202 | G | 58.1 | Low | 71.3 | Confident | 24 Ų | 24 | 17.6 Ų | 17.6 | 25% | 0.247 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 125.9 | 28.9 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | A1198 L1199 | A1198-G1202 PolarHBondContact O-N 3.42Å; L1199-G1202 PolarHBondContact O-N 3.32Å |
| 1203 | M | 65.5 | Low | 71.1 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -140.2 | 86.8 | -172.7 | -52.9 | 80.6 | 76.3 | 0 | 0 | 114.7 | Y1126 G1130 E1131 M1132 K1153 A1198 D1205 | Y1126-M1203 WeakPolarHBondContact O-CG 2.91Å; G1130-M1203 VanDerWaalsContact C-CG 3.47Å; G1130-M1203 CarbonylContact O-C 3.59Å; G1130-M1203 WeakPolarHBondContact O-CA 3.09Å; G1130-M1203 VanDerWaalsContact O-CB 3.24Å; G1130-M1203 WeakPolarHBondContact O-CB 3.02Å; E1131-M1203 VanDerWaalsContact C-CG 3.47Å; E1131-M1203 VanDerWaalsContact O-CG 3.3Å; E1131-M1203 WeakPolarHBondContact O-CG 2.95Å; M1132-M1203 VanDerWaalsContact CA-CE 3.46Å; M1132-M1203 HydrophobicContact CB-CB 3.67Å; M1132-M1203 HydrophobicContact CB-CE 3.87Å; M1132-M1203 HydrophobicContact CE-CB 4.2Å; M1132-M1203 HydrophobicContact CE-CE 3.13Å; M1132-M1203 HydrophobicContact CE-SD 3.47Å; M1132-M1203 WeakPolarHBondContact CE-SD 3.39Å; M1132-M1203 HydrophobicContact CG-CB 4.04Å; M1132-M1203 HydrophobicContact CG-CE 3.48Å; M1132-M1203 VanDerWaalsContact CG-CE 3.48Å; M1132-M1203 HydrophobicContact SD-CB 3.44Å; M1132-M1203 WeakPolarHBondContact SD-CB 3.25Å; M1132-M1203 HydrophobicContact SD-CE 3.51Å; M1132-M1203 VanDerWaalsContact SD-CE 3.51Å; M1132-M1203 HydrophobicContact SD-CG 4.3Å; M1132-M1203 HydrophobicContact SD-SD 3.97Å; K1153-M1203 HydrophobicContact CB-CE 3.28Å; K1153-M1203 HydrophobicContact CB-SD 4.17Å; K1153-M1203 HydrophobicContact CD-CE 3.3Å; K1153-M1203 HydrophobicContact CD-SD 3.03Å; K1153-M1203 WeakPolarHBondContact CD-SD 2.8Å; K1153-M1203 HydrophobicContact CG-CE 3.43Å; K1153-M1203 VanDerWaalsContact CG-CE 3.43Å; K1153-M1203 HydrophobicContact CG-SD 3.62Å; K1153-M1203 WeakPolarHBondContact O-CE 2.89Å; A1198-M1203 PolarHBondContact O-N 3.11Å; M1203-D1205 VanDerWaalsContact C-N 3.31Å; M1203-D1205 PolarHBondContact O-N 3.37Å | ||
| 1204 | T | 64.5 | Low | 71 | Confident | 24 Ų | 24 | 23.2 Ų | 23.2 | 15% | 0.147 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -48.1 | -36.5 | 171.4 | 34.6 | 0 | 0 | 0 | 0 | 115.6 | L1199 E1206 A1207 E1208 L1223 L1227 | L1199-T1204 HydrophobicContact CD2-CG2 3.79Å; T1204-E1206 PolarHBondContact O-N 3.12Å; T1204-A1207 WeakPolarHBondContact O-CB 3.18Å; T1204-A1207 PolarHBondContact O-N 3.38Å; T1204-E1208 PolarHBondContact O-N 3.25Å; T1204-L1223 HydrophobicContact CG2-CD1 3.86Å; T1204-L1223 WeakPolarHBondContact O-CD1 3.45Å; T1204-L1223 WeakPolarHBondContact O-CD2 3.26Å; T1204-L1227 WeakPolarHBondContact OG1-CD2 3.48Å |
| 1205 | D | 62.5 | Low | 70.8 | Confident | 52 Ų | 52 | 28.5 Ų | 28.5 | 28% | 0.278 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.2 | -33.4 | -169.8 | -82 | -42.6 | 0 | 0 | 0 | 114.9 | G1130 M1203 E1208 L1227 | G1130-D1205 VanDerWaalsContact O-CB 3.3Å; G1130-D1205 WeakPolarHBondContact O-CB 3.47Å; G1130-D1205 PolarHBondContact O-N 3.42Å; G1130-D1205 VanDerWaalsContact O-N 3.1Å; M1203-D1205 VanDerWaalsContact C-N 3.31Å; M1203-D1205 PolarHBondContact O-N 3.37Å; D1205-E1208 WeakPolarHBondContact O-CB 3.44Å; D1205-E1208 PolarHBondContact O-N 3.26Å; D1205-L1227 VanDerWaalsContact OD1-CD1 3.31Å; D1205-L1227 WeakPolarHBondContact OD1-CD1 3.11Å |
| 1206 | E | 66.6 | Low | 70.9 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -103.3 | 2.5 | 175.3 | -63.7 | 98 | 122 | 0 | 0 | 113.3 | G577 F578 E1131 M1132 D1133 T1157 T1204 E1208 Q1209 L1210 | G577-E1206 VanDerWaalsContact O-CD 3.31Å; G577-E1206 WeakPolarHBondContact O-CG 3.42Å; F578-E1206 PolarHBondContact N-OE1 2.98Å; E1131-E1206 VanDerWaalsContact CA-OE2 3.22Å; E1131-E1206 WeakPolarHBondContact CA-OE2 3.24Å; M1132-E1206 HydrophobicContact CB-CB 3.93Å; M1132-E1206 PolarHBondContact N-OE1 2.66Å; M1132-E1206 PolarHBondContact N-OE2 3.02Å; D1133-E1206 WeakPolarHBondContact CA-OE1 3.09Å; D1133-E1206 HydrophobicContact CB-CB 4.01Å; D1133-E1206 HydrophobicContact CB-CG 3.87Å; D1133-E1206 PolarHBondContact N-OE1 3.25Å; T1157-E1206 HydrophobicContact CG2-CB 3.43Å; T1157-E1206 VanDerWaalsContact CG2-CB 3.43Å; T1157-E1206 VanDerWaalsContact CG2-O 3.24Å; T1157-E1206 WeakPolarHBondContact CG2-O 3.28Å; T1204-E1206 PolarHBondContact O-N 3.12Å; E1206-E1208 PolarHBondContact O-N 3.36Å; E1206-Q1209 HydrophobicContact CB-CG 4.47Å; E1206-Q1209 HydrophobicContact CG-CG 4.13Å; E1206-L1210 WeakPolarHBondContact O-CG 3.18Å; E1206-L1210 PolarHBondContact O-N 3.12Å |
| 1207 | A | 74.4 | Confident | 71.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -54 | -43.5 | 145.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | A1198 T1204 Q1209 L1210 F1211 L1223 | A1198-A1207 HydrophobicContact CB-CB 3.77Å; T1204-A1207 WeakPolarHBondContact O-CB 3.18Å; T1204-A1207 PolarHBondContact O-N 3.38Å; A1207-Q1209 VanDerWaalsContact C-N 3.3Å; A1207-Q1209 PolarHBondContact O-N 2.9Å; A1207-L1210 PolarHBondContact O-N 3.31Å; A1207-F1211 VanDerWaalsContact C-CG 3.45Å; A1207-F1211 HydrophobicContact CB-CD2 3.92Å; A1207-F1211 HydrophobicContact CB-CE2 3.73Å; A1207-F1211 HydrophobicContact CB-CG 4.46Å; A1207-F1211 HydrophobicContact CB-CZ 4.47Å; A1207-F1211 WeakPolarHBondContact O-CA 3.19Å; A1207-F1211 WeakPolarHBondContact O-CB 3.49Å; A1207-F1211 WeakPolarHBondContact O-CD1 3.19Å; A1207-F1211 VanDerWaalsContact O-CD2 3.26Å; A1207-F1211 WeakPolarHBondContact O-CD2 3.36Å; A1207-F1211 WeakPolarHBondContact O-CG 3.44Å; A1207-F1211 PolarHBondContact O-N 3.07Å; A1207-L1223 HydrophobicContact CB-CD1 4.41Å; A1207-L1223 HydrophobicContact CB-CD2 4.06Å |
| 1208 | E | 69.5 | Low | 71.6 | Confident | 9 Ų | 9 | 31 Ų | 31 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.2 | -38.6 | -177.5 | -148.8 | 158.6 | -94.4 | 0 | 0 | 114.6 | T1204 D1205 E1206 F1211 I1212 L1223 H1224 L1227 N1229 K1232 | T1204-E1208 PolarHBondContact O-N 3.25Å; D1205-E1208 WeakPolarHBondContact O-CB 3.44Å; D1205-E1208 PolarHBondContact O-N 3.26Å; E1206-E1208 PolarHBondContact O-N 3.36Å; E1208-F1211 WeakPolarHBondContact O-CB 3.4Å; E1208-I1212 WeakPolarHBondContact O-CB 2.99Å; E1208-I1212 WeakPolarHBondContact O-CD1 3.49Å; E1208-I1212 VanDerWaalsContact O-CG1 3.23Å; E1208-I1212 WeakPolarHBondContact O-CG1 3.08Å; E1208-I1212 PolarHBondContact O-N 3.04Å; E1208-L1223 HydrophobicContact CB-CD2 3.24Å; E1208-L1223 HydrophobicContact CG-CD2 3.62Å; E1208-H1224 VanDerWaalsContact CG-CE1 3.43Å; E1208-H1224 WeakPolarHBondContact CG-CE1 3.43Å; E1208-H1224 IonicContact OE1-CE1 2.77Å; E1208-H1224 PolarHBondContact OE1-CE1 3.04Å; E1208-H1224 VanDerWaalsContact OE1-CE1 3.27Å; E1208-H1224 IonicContact OE1-CG 2.73Å; E1208-H1224 IonicContact OE1-ND1 3.12Å; E1208-H1224 PolarHBondContact OE1-ND1 2.93Å; E1208-H1224 IonicContact OE2-CE1 3.25Å; E1208-H1224 PolarHBondContact OE2-CE1 2.9Å; E1208-H1224 IonicContact OE2-ND1 2.7Å; E1208-H1224 PolarHBondContact OE2-ND1 3.09Å; E1208-L1227 WeakPolarHBondContact OE1-CD1 3.37Å; E1208-N1229 PolarHBondContact OE1-ND2 3.5Å; E1208-N1229 PolarHBondContact OE2-ND2 2.49Å; E1208-K1232 WeakPolarHBondContact OE2-CD 2.96Å; E1208-K1232 WeakPolarHBondContact OE2-CE 3.34Å; E1208-K1232 IonicContact OE2-NZ 2.75Å; E1208-K1232 PolarHBondContact OE2-NZ 3.08Å |
| 1209 | Q | 71.8 | Confident | 72 | Confident | 71 Ų | 71 | 31.1 Ų | 31.1 | 33% | 0.332 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -77.8 | -40.5 | -172.9 | -60.4 | -173.2 | 19.3 | 0 | 0 | 110.2 | G577 E1206 A1207 F1211 I1212 Q1213 | G577-Q1209 PolarHBondContact O-NE2 2.77Å; G577-Q1209 PolarHBondContact O-OE1 2.73Å; E1206-Q1209 HydrophobicContact CB-CG 4.47Å; E1206-Q1209 HydrophobicContact CG-CG 4.13Å; A1207-Q1209 VanDerWaalsContact C-N 3.3Å; A1207-Q1209 PolarHBondContact O-N 2.9Å; Q1209-F1211 VanDerWaalsContact C-N 3.33Å; Q1209-I1212 PolarHBondContact O-N 2.77Å; Q1209-Q1213 WeakPolarHBondContact O-CG 3.2Å; Q1209-Q1213 PolarHBondContact O-N 2.97Å; Q1209-Q1213 VanDerWaalsContact O-N 3.12Å; Q1209-Q1213 PolarHBondContact O-NE2 2.68Å |
| 1210 | L | 76 | Confident | 72.4 | Confident | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -74.1 | -31.1 | 174 | -53.6 | -171.5 | 0 | 0 | 0 | 112.1 | T1157 E1191 A1194 E1206 A1207 I1212 Q1213 C1214 | T1157-L1210 HydrophobicContact CG2-CD1 3.51Å; T1157-L1210 HydrophobicContact CG2-CG 3.92Å; T1157-L1210 WeakPolarHBondContact O-CD2 3.43Å; E1191-L1210 HydrophobicContact CB-CB 4.15Å; E1191-L1210 WeakPolarHBondContact CB-O 3.37Å; E1191-L1210 WeakPolarHBondContact O-CB 3.47Å; A1194-L1210 HydrophobicContact CB-CD1 3.31Å; E1206-L1210 WeakPolarHBondContact O-CG 3.18Å; E1206-L1210 PolarHBondContact O-N 3.12Å; A1207-L1210 PolarHBondContact O-N 3.31Å; L1210-I1212 VanDerWaalsContact C-N 3.29Å; L1210-I1212 PolarHBondContact O-N 3.38Å; L1210-Q1213 VanDerWaalsContact CD2-OE1 3.31Å; L1210-Q1213 PolarHBondContact O-N 2.9Å; L1210-Q1213 VanDerWaalsContact O-N 3.15Å; L1210-C1214 PolarHBondContact O-N 2.91Å; L1210-C1214 PolarHBondContact O-SG 3.46Å |
| 1211 | F | 80.1 | Confident | 72.8 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.5 | -42.9 | 170 | -78.5 | -20.8 | 0 | 0 | 0 | 113.1 | S389 Q390 A1207 E1208 Q1209 R1216 L1219 V1220 L1223 | S389-F1211 VanDerWaalsContact CA-CZ 3.43Å; Q390-F1211 HydrophobicContact CB-CE1 4.43Å; Q390-F1211 HydrophobicContact CG-CD1 3.94Å; Q390-F1211 HydrophobicContact CG-CE1 3.47Å; Q390-F1211 VanDerWaalsContact CG-CE1 3.47Å; Q390-F1211 HydrophobicContact CG-CZ 4.43Å; Q390-F1211 VanDerWaalsContact NE2-CG 3.31Å; Q390-F1211 PolarHBondContact NE2-O 3.17Å; A1207-F1211 VanDerWaalsContact C-CG 3.45Å; A1207-F1211 HydrophobicContact CB-CD2 3.92Å; A1207-F1211 HydrophobicContact CB-CE2 3.73Å; A1207-F1211 HydrophobicContact CB-CG 4.46Å; A1207-F1211 HydrophobicContact CB-CZ 4.47Å; A1207-F1211 WeakPolarHBondContact O-CA 3.19Å; A1207-F1211 WeakPolarHBondContact O-CB 3.49Å; A1207-F1211 WeakPolarHBondContact O-CD1 3.19Å; A1207-F1211 VanDerWaalsContact O-CD2 3.26Å; A1207-F1211 WeakPolarHBondContact O-CD2 3.36Å; A1207-F1211 WeakPolarHBondContact O-CG 3.44Å; A1207-F1211 PolarHBondContact O-N 3.07Å; E1208-F1211 WeakPolarHBondContact O-CB 3.4Å; Q1209-F1211 VanDerWaalsContact C-N 3.33Å; F1211-R1216 WeakPolarHBondContact O-CB 3.48Å; F1211-R1216 PolarHBondContact O-N 2.84Å; F1211-L1219 VanDerWaalsContact CD2-O 3.24Å; F1211-L1219 WeakPolarHBondContact CD2-O 3.4Å; F1211-L1219 HydrophobicContact CE1-CB 3.7Å; F1211-L1219 HydrophobicContact CE1-CD1 4.42Å; F1211-L1219 HydrophobicContact CE2-CB 4.18Å; F1211-L1219 VanDerWaalsContact CE2-O 3.22Å; F1211-L1219 WeakPolarHBondContact CE2-O 2.92Å; F1211-L1219 HydrophobicContact CZ-CB 3.46Å; F1211-L1219 VanDerWaalsContact CZ-CB 3.46Å; F1211-L1219 HydrophobicContact CZ-CD1 4.21Å; F1211-L1219 HydrophobicContact CZ-CG 4.46Å; F1211-V1220 HydrophobicContact CB-CB 4.45Å; F1211-V1220 HydrophobicContact CB-CG2 3.7Å; F1211-V1220 WeakPolarHBondContact O-CG2 3.37Å; F1211-L1223 HydrophobicContact CD2-CB 3.66Å; F1211-L1223 HydrophobicContact CD2-CD2 3.46Å; F1211-L1223 VanDerWaalsContact CD2-CD2 3.46Å; F1211-L1223 HydrophobicContact CD2-CG 4.11Å; F1211-L1223 HydrophobicContact CE2-CB 3.54Å; F1211-L1223 HydrophobicContact CE2-CD1 4.22Å; F1211-L1223 HydrophobicContact CE2-CD2 3.79Å; F1211-L1223 HydrophobicContact CE2-CG 4.04Å |
| 1212 | I | 74.1 | Confident | 73.4 | Confident | 64 Ų | 64 | 30.4 Ų | 30.4 | 33% | 0.328 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -70 | -43.1 | 175.1 | -73.8 | 168.3 | 0 | 0 | 0 | 110 | E1208 Q1209 L1210 C1214 N1215 W1217 V1220 | E1208-I1212 WeakPolarHBondContact O-CB 2.99Å; E1208-I1212 WeakPolarHBondContact O-CD1 3.49Å; E1208-I1212 VanDerWaalsContact O-CG1 3.23Å; E1208-I1212 WeakPolarHBondContact O-CG1 3.08Å; E1208-I1212 PolarHBondContact O-N 3.04Å; Q1209-I1212 PolarHBondContact O-N 2.77Å; L1210-I1212 VanDerWaalsContact C-N 3.29Å; L1210-I1212 PolarHBondContact O-N 3.38Å; I1212-C1214 VanDerWaalsContact C-N 3.33Å; I1212-C1214 PolarHBondContact O-N 3.36Å; I1212-N1215 PolarHBondContact O-N 2.78Å; I1212-W1217 HydrophobicContact CB-CH2 4.25Å; I1212-W1217 HydrophobicContact CB-CZ3 4.37Å; I1212-W1217 HydrophobicContact CG1-CH2 4.09Å; I1212-W1217 HydrophobicContact CG1-CZ3 3.74Å; I1212-W1217 HydrophobicContact CG2-CH2 3.67Å; I1212-W1217 HydrophobicContact CG2-CZ2 4.37Å; I1212-W1217 HydrophobicContact CG2-CZ3 4.23Å; I1212-V1220 HydrophobicContact CB-CG2 4.37Å; I1212-V1220 HydrophobicContact CD1-CG1 4.18Å; I1212-V1220 HydrophobicContact CG1-CB 4.35Å; I1212-V1220 HydrophobicContact CG1-CG1 3.66Å; I1212-V1220 HydrophobicContact CG1-CG2 3.67Å |
| 1213 | Q | 72.1 | Confident | 74.4 | Confident | 109 Ų | 109 | 29.3 Ų | 29.3 | 51% | 0.509 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -60.1 | -33.7 | -172.5 | -76 | 165.9 | 36.1 | 0 | 0 | 114.9 | E1191 Q1209 L1210 N1215 | E1191-Q1213 HydrophobicContact CB-CB 4.07Å; E1191-Q1213 HydrophobicContact CG-CB 3.88Å; Q1209-Q1213 WeakPolarHBondContact O-CG 3.2Å; Q1209-Q1213 PolarHBondContact O-N 2.97Å; Q1209-Q1213 VanDerWaalsContact O-N 3.12Å; Q1209-Q1213 PolarHBondContact O-NE2 2.68Å; L1210-Q1213 VanDerWaalsContact CD2-OE1 3.31Å; L1210-Q1213 PolarHBondContact O-N 2.9Å; L1210-Q1213 VanDerWaalsContact O-N 3.15Å; Q1213-N1215 VanDerWaalsContact C-N 3.32Å |
| 1214 | C | 75.4 | Confident | 74.9 | Confident | 10 Ų | 10 | 29.3 Ų | 29.3 | 7% | 0.068 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 4.8 | 176.6 | 43 | 0 | 0 | 0 | 0 | 114.3 | Q390 E1189 E1191 A1192 L1210 I1212 R1216 | Q390-C1214 PolarHBondContact OE1-SG 2.88Å; E1189-C1214 HydrophobicContact CB-CB 3.64Å; E1189-C1214 HydrophobicContact CG-CB 3.68Å; E1191-C1214 HydrophobicContact CB-CB 3.98Å; A1192-C1214 PolarHBondContact N-SG 3.32Å; A1192-C1214 VanDerWaalsContact N-SG 3.37Å; L1210-C1214 PolarHBondContact O-N 2.91Å; L1210-C1214 PolarHBondContact O-SG 3.46Å; I1212-C1214 VanDerWaalsContact C-N 3.33Å; I1212-C1214 PolarHBondContact O-N 3.36Å; C1214-R1216 HydrophobicContact CB-CB 4.49Å; C1214-R1216 HydrophobicContact CB-CG 3.69Å; C1214-R1216 WeakPolarHBondContact SG-CG 3.46Å |
| 1215 | N | 75.2 | Confident | 75.3 | Confident | 111 Ų | 111 | 31.3 Ų | 31.3 | 59% | 0.594 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 37.9 | -177.2 | -50.6 | -83.4 | 0 | 0 | 0 | 113.8 | I1212 Q1213 W1217 | I1212-N1215 PolarHBondContact O-N 2.78Å; Q1213-N1215 VanDerWaalsContact C-N 3.32Å; N1215-W1217 VanDerWaalsContact C-NE1 3.32Å; N1215-W1217 PolarHBondContact O-N 2.91Å; N1215-W1217 PolarHBondContact O-NE1 3.39Å |
| 1216 | R | 77 | Confident | 75.8 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 3% | 0.03 | 15% | 0.153 | C | C | . | . | trans | -110.7 | 59.1 | -160.6 | -78.7 | -52.3 | -40.1 | -155.5 | -14.7 | 112.8 | Q390 N391 L392 E1189 F1211 C1214 D1218 L1219 V1220 | Q390-R1216 HydrophobicContact CB-CB 3.81Å; Q390-R1216 HydrophobicContact CB-CG 3.86Å; Q390-R1216 HydrophobicContact CG-CB 3.47Å; Q390-R1216 VanDerWaalsContact CG-CB 3.47Å; Q390-R1216 HydrophobicContact CG-CG 4.11Å; Q390-R1216 PolarHBondContact NE2-O 3.48Å; Q390-R1216 VanDerWaalsContact OE1-CB 3.25Å; N391-R1216 VanDerWaalsContact C-NH2 3.34Å; N391-R1216 VanDerWaalsContact CA-NH1 3.31Å; N391-R1216 PolarHBondContact O-NH1 2.77Å; N391-R1216 WeakPolarHBondContact OD1-CD 3.27Å; N391-R1216 WeakPolarHBondContact OD1-CG 2.78Å; L392-R1216 VanDerWaalsContact C-NH1 3.27Å; L392-R1216 VanDerWaalsContact N-NH2 3.1Å; L392-R1216 PolarHBondContact O-NH2 3.32Å; E1189-R1216 WeakPolarHBondContact OE2-CD 3.16Å; E1189-R1216 WeakPolarHBondContact OE2-CG 3.37Å; F1211-R1216 WeakPolarHBondContact O-CB 3.48Å; F1211-R1216 PolarHBondContact O-N 2.84Å; C1214-R1216 HydrophobicContact CB-CB 4.49Å; C1214-R1216 HydrophobicContact CB-CG 3.69Å; C1214-R1216 WeakPolarHBondContact SG-CG 3.46Å; R1216-D1218 VanDerWaalsContact C-OD1 3.26Å; R1216-D1218 IonicContact CZ-OD1 2.67Å; R1216-D1218 IonicContact CZ-OD2 2.74Å; R1216-D1218 IonicContact NE-OD1 3.86Å; R1216-D1218 PolarHBondContact NE-OD1 3.5Å; R1216-D1218 IonicContact NH2-OD1 2.77Å; R1216-D1218 PolarHBondContact NH2-OD1 3Å; R1216-D1218 IonicContact NH2-OD2 3.31Å; R1216-D1218 PolarHBondContact NH2-OD2 3.01Å; R1216-D1218 PolarHBondContact O-N 3.42Å; R1216-D1218 VanDerWaalsContact O-N 3.1Å; R1216-L1219 PolarHBondContact O-N 2.92Å; R1216-V1220 PolarHBondContact O-N 3.02Å | ||
| 1217 | W | 79.5 | Confident | 75.7 | Confident | 28 Ų | 28 | 33.7 Ų | 33.7 | 11% | 0.106 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66 | -23.7 | -159.5 | -57 | 100.5 | 0 | 0 | 0 | 114.4 | I1212 N1215 L1219 V1220 I1221 T1236 H1240 N1241 | I1212-W1217 HydrophobicContact CB-CH2 4.25Å; I1212-W1217 HydrophobicContact CB-CZ3 4.37Å; I1212-W1217 HydrophobicContact CG1-CH2 4.09Å; I1212-W1217 HydrophobicContact CG1-CZ3 3.74Å; I1212-W1217 HydrophobicContact CG2-CH2 3.67Å; I1212-W1217 HydrophobicContact CG2-CZ2 4.37Å; I1212-W1217 HydrophobicContact CG2-CZ3 4.23Å; N1215-W1217 VanDerWaalsContact C-NE1 3.32Å; N1215-W1217 PolarHBondContact O-N 2.91Å; N1215-W1217 PolarHBondContact O-NE1 3.39Å; W1217-L1219 VanDerWaalsContact C-N 3.27Å; W1217-L1219 PolarHBondContact O-N 3.35Å; W1217-V1220 HydrophobicContact CD2-CG2 4.24Å; W1217-V1220 HydrophobicContact CE3-CB 3.91Å; W1217-V1220 HydrophobicContact CE3-CG1 3.78Å; W1217-V1220 HydrophobicContact CE3-CG2 3.69Å; W1217-V1220 HydrophobicContact CZ3-CG1 3.99Å; W1217-V1220 HydrophobicContact CZ3-CG2 4.17Å; W1217-I1221 VanDerWaalsContact O-CB 3.23Å; W1217-I1221 WeakPolarHBondContact O-CB 3.4Å; W1217-I1221 VanDerWaalsContact O-CD1 3.3Å; W1217-I1221 WeakPolarHBondContact O-CD1 2.94Å; W1217-I1221 VanDerWaalsContact O-CG1 3.23Å; W1217-I1221 WeakPolarHBondContact O-CG1 3.1Å; W1217-I1221 PolarHBondContact O-N 3.12Å; W1217-T1236 HydrophobicContact CE3-CG2 4.06Å; W1217-T1236 HydrophobicContact CZ3-CG2 3.66Å; W1217-H1240 HydrophobicContact CB-CB 3.87Å; W1217-H1240 VanDerWaalsContact CD1-CB 3.44Å; W1217-H1240 HydrophobicContact CD2-CB 3.27Å; W1217-H1240 AromaticContact CD2-CD2 3.68Å; W1217-H1240 AromaticContact CD2-CG 3.55Å; W1217-H1240 AromaticContact CE2-CD2 3.61Å; W1217-H1240 AromaticContact CE2-CG 3.39Å; W1217-H1240 AromaticContact CE2-ND1 3.79Å; W1217-H1240 HydrophobicContact CE3-CB 3.87Å; W1217-H1240 AromaticContact CE3-CD2 3.55Å; W1217-H1240 AromaticContact CE3-CG 3.91Å; W1217-H1240 HydrophobicContact CG-CB 3.23Å; W1217-H1240 AromaticContact CH2-CD2 3.27Å; W1217-H1240 WeakPolarHBondContact CH2-CD2 3.43Å; W1217-H1240 AromaticContact CH2-CG 3.95Å; W1217-H1240 AromaticContact CH2-NE2 3.37Å; W1217-H1240 WeakPolarHBondContact CH2-NE2 3.21Å; W1217-H1240 HydrophobicContact CZ2-CB 4.27Å; W1217-H1240 AromaticContact CZ2-CD2 3.44Å; W1217-H1240 VanDerWaalsContact CZ2-CD2 3.44Å; W1217-H1240 WeakPolarHBondContact CZ2-CD2 3.48Å; W1217-H1240 AromaticContact CZ2-CE1 3.73Å; W1217-H1240 AromaticContact CZ2-CG 3.63Å; W1217-H1240 AromaticContact CZ2-ND1 3.8Å; W1217-H1240 AromaticContact CZ2-NE2 3.53Å; W1217-H1240 AromaticContact CZ3-CD2 3.34Å; W1217-H1240 WeakPolarHBondContact CZ3-CD2 3.23Å; W1217-H1240 AromaticContact CZ3-NE2 3.9Å; W1217-H1240 AromaticContact NE1-CG 3.78Å; W1217-H1240 AromaticContact NE1-ND1 3.98Å; W1217-N1241 HydrophobicContact CB-CB 3.87Å |
| 1218 | D | 79.7 | Confident | 75.2 | Confident | 22 Ų | 22 | 34.9 Ų | 34.9 | 12% | 0.118 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -50.6 | -44.1 | 169.1 | 64.9 | -39.6 | 0 | 0 | 0 | 113.2 | C393 R1216 R1222 | C393-D1218 HydrophobicContact CB-CB 3.69Å; C393-D1218 WeakPolarHBondContact CB-OD1 3.5Å; R1216-D1218 VanDerWaalsContact C-OD1 3.26Å; R1216-D1218 IonicContact CZ-OD1 2.67Å; R1216-D1218 IonicContact CZ-OD2 2.74Å; R1216-D1218 IonicContact NE-OD1 3.86Å; R1216-D1218 PolarHBondContact NE-OD1 3.5Å; R1216-D1218 IonicContact NH2-OD1 2.77Å; R1216-D1218 PolarHBondContact NH2-OD1 3Å; R1216-D1218 IonicContact NH2-OD2 3.31Å; R1216-D1218 PolarHBondContact NH2-OD2 3.01Å; R1216-D1218 PolarHBondContact O-N 3.42Å; R1216-D1218 VanDerWaalsContact O-N 3.1Å; D1218-R1222 VanDerWaalsContact O-CB 3.3Å; D1218-R1222 WeakPolarHBondContact O-CB 3.22Å; D1218-R1222 PolarHBondContact O-N 2.92Å |
| 1219 | L | 81.9 | Confident | 75.4 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -105.8 | -11 | -179.1 | -34.3 | -157.7 | 0 | 0 | 0 | 115.9 | T387 Q390 F1211 R1216 W1217 I1221 R1222 L1223 | T387-L1219 HydrophobicContact CG2-CB 4.41Å; Q390-L1219 HydrophobicContact CB-CD1 4.46Å; Q390-L1219 HydrophobicContact CB-CG 4.25Å; Q390-L1219 HydrophobicContact CG-CB 3.46Å; Q390-L1219 VanDerWaalsContact CG-CB 3.46Å; Q390-L1219 HydrophobicContact CG-CD1 3.92Å; Q390-L1219 HydrophobicContact CG-CG 3.39Å; F1211-L1219 VanDerWaalsContact CD2-O 3.24Å; F1211-L1219 WeakPolarHBondContact CD2-O 3.4Å; F1211-L1219 HydrophobicContact CE1-CB 3.7Å; F1211-L1219 HydrophobicContact CE1-CD1 4.42Å; F1211-L1219 HydrophobicContact CE2-CB 4.18Å; F1211-L1219 VanDerWaalsContact CE2-O 3.22Å; F1211-L1219 WeakPolarHBondContact CE2-O 2.92Å; F1211-L1219 HydrophobicContact CZ-CB 3.46Å; F1211-L1219 VanDerWaalsContact CZ-CB 3.46Å; F1211-L1219 HydrophobicContact CZ-CD1 4.21Å; F1211-L1219 HydrophobicContact CZ-CG 4.46Å; R1216-L1219 PolarHBondContact O-N 2.92Å; W1217-L1219 VanDerWaalsContact C-N 3.27Å; W1217-L1219 PolarHBondContact O-N 3.35Å; L1219-I1221 PolarHBondContact O-N 3.42Å; L1219-R1222 HydrophobicContact CB-CB 4.14Å; L1219-R1222 HydrophobicContact CD2-CB 3.88Å; L1219-R1222 HydrophobicContact CD2-CG 4.37Å; L1219-R1222 VanDerWaalsContact CD2-NE 3.27Å; L1219-L1223 WeakPolarHBondContact O-CB 3.17Å; L1219-L1223 PolarHBondContact O-N 2.93Å |
| 1220 | V | 78.2 | Confident | 75.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -51.4 | -49.2 | 151.4 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | F1211 I1212 R1216 W1217 L1223 H1224 T1236 | F1211-V1220 HydrophobicContact CB-CB 4.45Å; F1211-V1220 HydrophobicContact CB-CG2 3.7Å; F1211-V1220 WeakPolarHBondContact O-CG2 3.37Å; I1212-V1220 HydrophobicContact CB-CG2 4.37Å; I1212-V1220 HydrophobicContact CD1-CG1 4.18Å; I1212-V1220 HydrophobicContact CG1-CB 4.35Å; I1212-V1220 HydrophobicContact CG1-CG1 3.66Å; I1212-V1220 HydrophobicContact CG1-CG2 3.67Å; R1216-V1220 PolarHBondContact O-N 3.02Å; W1217-V1220 HydrophobicContact CD2-CG2 4.24Å; W1217-V1220 HydrophobicContact CE3-CB 3.91Å; W1217-V1220 HydrophobicContact CE3-CG1 3.78Å; W1217-V1220 HydrophobicContact CE3-CG2 3.69Å; W1217-V1220 HydrophobicContact CZ3-CG1 3.99Å; W1217-V1220 HydrophobicContact CZ3-CG2 4.17Å; V1220-L1223 WeakPolarHBondContact O-CB 3.36Å; V1220-L1223 PolarHBondContact O-N 2.76Å; V1220-H1224 WeakPolarHBondContact CG1-NE2 3.34Å; V1220-H1224 WeakPolarHBondContact O-CB 3.5Å; V1220-H1224 PolarHBondContact O-CD2 2.89Å; V1220-H1224 PolarHBondContact O-N 3.01Å; V1220-T1236 HydrophobicContact CG1-CG2 3.81Å |
| 1221 | I | 79.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -72.1 | -47 | 178.9 | -73.4 | 163.1 | 0 | 0 | 0 | 112.8 | W1217 L1219 L1223 H1224 Q1225 A1237 N1241 L1244 I1248 | W1217-I1221 VanDerWaalsContact O-CB 3.23Å; W1217-I1221 WeakPolarHBondContact O-CB 3.4Å; W1217-I1221 VanDerWaalsContact O-CD1 3.3Å; W1217-I1221 WeakPolarHBondContact O-CD1 2.94Å; W1217-I1221 VanDerWaalsContact O-CG1 3.23Å; W1217-I1221 WeakPolarHBondContact O-CG1 3.1Å; W1217-I1221 PolarHBondContact O-N 3.12Å; L1219-I1221 PolarHBondContact O-N 3.42Å; I1221-L1223 PolarHBondContact O-N 3.44Å; I1221-H1224 CarbonylContact O-C 3.58Å; I1221-H1224 PolarHBondContact O-N 3.17Å; I1221-H1224 VanDerWaalsContact O-N 3.12Å; I1221-Q1225 HydrophobicContact CG2-CG 4.36Å; I1221-Q1225 VanDerWaalsContact CG2-NE2 3.32Å; I1221-Q1225 WeakPolarHBondContact O-CB 3.12Å; I1221-Q1225 WeakPolarHBondContact O-CG 3.5Å; I1221-Q1225 PolarHBondContact O-N 2.77Å; I1221-A1237 HydrophobicContact CD1-CB 3.69Å; I1221-A1237 HydrophobicContact CG1-CB 4.49Å; I1221-N1241 HydrophobicContact CD1-CB 3.65Å; I1221-L1244 HydrophobicContact CB-CD1 4.04Å; I1221-L1244 HydrophobicContact CD1-CB 4.09Å; I1221-L1244 HydrophobicContact CD1-CD1 3.97Å; I1221-L1244 HydrophobicContact CG2-CB 4Å; I1221-L1244 HydrophobicContact CG2-CD1 3.64Å; I1221-L1244 HydrophobicContact CG2-CG 4.39Å; I1221-I1248 HydrophobicContact CB-CD1 4.15Å; I1221-I1248 HydrophobicContact CD1-CD1 3.9Å; I1221-I1248 HydrophobicContact CG1-CD1 3.81Å; I1221-I1248 HydrophobicContact CG2-CD1 3.3Å; I1221-I1248 HydrophobicContact CG2-CG1 3.69Å |
| 1222 | R | 79.7 | Confident | 75.1 | Confident | 101 Ų | 101 | 40.2 Ų | 40.2 | 38% | 0.381 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.9 | -25 | 177.3 | -166.8 | -157.1 | -87.3 | 170.8 | 10.7 | 111.2 | L386 T387 D1218 L1219 S1226 | L386-R1222 HydrophobicContact CB-CG 4.28Å; L386-R1222 HydrophobicContact CD2-CG 4.28Å; T387-R1222 HydrophobicContact CG2-CB 3.47Å; T387-R1222 VanDerWaalsContact CG2-CB 3.47Å; T387-R1222 HydrophobicContact CG2-CG 3.23Å; T387-R1222 WeakPolarHBondContact CG2-O 3.23Å; D1218-R1222 VanDerWaalsContact O-CB 3.3Å; D1218-R1222 WeakPolarHBondContact O-CB 3.22Å; D1218-R1222 PolarHBondContact O-N 2.92Å; L1219-R1222 HydrophobicContact CB-CB 4.14Å; L1219-R1222 HydrophobicContact CD2-CB 3.88Å; L1219-R1222 HydrophobicContact CD2-CG 4.37Å; L1219-R1222 VanDerWaalsContact CD2-NE 3.27Å; R1222-S1226 PolarHBondContact O-N 3.05Å; R1222-S1226 PolarHBondContact O-OG 3.45Å |
| 1223 | L | 77.5 | Confident | 75.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -78.5 | -48.6 | 167.9 | -173.1 | 69.3 | 0 | 0 | 0 | 114.2 | T387 T1204 A1207 E1208 F1211 L1219 V1220 I1221 Q1225 S1226 L1227 | T387-L1223 WeakPolarHBondContact OG1-CA 2.9Å; T387-L1223 WeakPolarHBondContact OG1-CB 3.31Å; T387-L1223 WeakPolarHBondContact OG1-CD1 3.46Å; T387-L1223 PolarHBondContact OG1-N 3.37Å; T1204-L1223 HydrophobicContact CG2-CD1 3.86Å; T1204-L1223 WeakPolarHBondContact O-CD1 3.45Å; T1204-L1223 WeakPolarHBondContact O-CD2 3.26Å; A1207-L1223 HydrophobicContact CB-CD1 4.41Å; A1207-L1223 HydrophobicContact CB-CD2 4.06Å; E1208-L1223 HydrophobicContact CB-CD2 3.24Å; E1208-L1223 HydrophobicContact CG-CD2 3.62Å; F1211-L1223 HydrophobicContact CD2-CB 3.66Å; F1211-L1223 HydrophobicContact CD2-CD2 3.46Å; F1211-L1223 VanDerWaalsContact CD2-CD2 3.46Å; F1211-L1223 HydrophobicContact CD2-CG 4.11Å; F1211-L1223 HydrophobicContact CE2-CB 3.54Å; F1211-L1223 HydrophobicContact CE2-CD1 4.22Å; F1211-L1223 HydrophobicContact CE2-CD2 3.79Å; F1211-L1223 HydrophobicContact CE2-CG 4.04Å; L1219-L1223 WeakPolarHBondContact O-CB 3.17Å; L1219-L1223 PolarHBondContact O-N 2.93Å; V1220-L1223 WeakPolarHBondContact O-CB 3.36Å; V1220-L1223 PolarHBondContact O-N 2.76Å; I1221-L1223 PolarHBondContact O-N 3.44Å; L1223-Q1225 PolarHBondContact O-N 3.48Å; L1223-Q1225 VanDerWaalsContact O-N 3.08Å; L1223-S1226 WeakPolarHBondContact CA-OG 3.1Å; L1223-S1226 CarbonylContact O-C 3.44Å; L1223-S1226 PolarHBondContact O-N 3.22Å; L1223-S1226 PolarHBondContact O-OG 2.69Å; L1223-S1226 VanDerWaalsContact O-OG 3.13Å; L1223-L1227 HydrophobicContact CD1-CD1 3.83Å; L1223-L1227 HydrophobicContact CD1-CG 3.84Å; L1223-L1227 HydrophobicContact CD2-CD1 3.78Å; L1223-L1227 HydrophobicContact CG-CD1 3.54Å; L1223-L1227 HydrophobicContact CG-CG 3.95Å; L1223-L1227 WeakPolarHBondContact O-CB 3.49Å; L1223-L1227 PolarHBondContact O-N 3.36Å |
| 1224 | H | 76 | Confident | 75.8 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.2 | -28.5 | 176 | -62.4 | -52.3 | 0 | 0 | 0 | 110.6 | E1208 V1220 I1221 G1228 N1229 K1232 A1233 T1236 | E1208-H1224 VanDerWaalsContact CG-CE1 3.43Å; E1208-H1224 WeakPolarHBondContact CG-CE1 3.43Å; E1208-H1224 IonicContact OE1-CE1 2.77Å; E1208-H1224 PolarHBondContact OE1-CE1 3.04Å; E1208-H1224 VanDerWaalsContact OE1-CE1 3.27Å; E1208-H1224 IonicContact OE1-CG 2.73Å; E1208-H1224 IonicContact OE1-ND1 3.12Å; E1208-H1224 PolarHBondContact OE1-ND1 2.93Å; E1208-H1224 IonicContact OE2-CE1 3.25Å; E1208-H1224 PolarHBondContact OE2-CE1 2.9Å; E1208-H1224 IonicContact OE2-ND1 2.7Å; E1208-H1224 PolarHBondContact OE2-ND1 3.09Å; V1220-H1224 WeakPolarHBondContact CG1-NE2 3.34Å; V1220-H1224 WeakPolarHBondContact O-CB 3.5Å; V1220-H1224 PolarHBondContact O-CD2 2.89Å; V1220-H1224 PolarHBondContact O-N 3.01Å; I1221-H1224 CarbonylContact O-C 3.58Å; I1221-H1224 PolarHBondContact O-N 3.17Å; I1221-H1224 VanDerWaalsContact O-N 3.12Å; H1224-G1228 CarbonylContact O-C 3.59Å; H1224-G1228 WeakPolarHBondContact O-CA 3.29Å; H1224-G1228 PolarHBondContact O-N 2.94Å; H1224-G1228 VanDerWaalsContact O-N 3.11Å; H1224-N1229 HydrophobicContact CB-CB 4.02Å; H1224-N1229 PolarHBondContact O-N 3.41Å; H1224-K1232 WeakPolarHBondContact CE1-CB 3.49Å; H1224-A1233 HydrophobicContact CB-CB 3.32Å; H1224-A1233 WeakPolarHBondContact CD2-CA 3.48Å; H1224-A1233 PolarHBondContact CD2-N 3.09Å; H1224-A1233 VanDerWaalsContact CD2-N 3.32Å; H1224-T1236 PolarHBondContact CD2-OG1 3.44Å; H1224-T1236 VanDerWaalsContact CD2-OG1 3.27Å; H1224-T1236 WeakPolarHBondContact NE2-CG2 3.34Å; H1224-T1236 PolarHBondContact NE2-OG1 3Å |
| 1225 | Q | 74.5 | Confident | 75.9 | Confident | 66 Ų | 66 | 35.6 Ų | 35.6 | 31% | 0.308 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.4 | -43.5 | 167.8 | -72.5 | 167.8 | 4.8 | 0 | 0 | 113.9 | I1221 L1223 W1230 | I1221-Q1225 HydrophobicContact CG2-CG 4.36Å; I1221-Q1225 VanDerWaalsContact CG2-NE2 3.32Å; I1221-Q1225 WeakPolarHBondContact O-CB 3.12Å; I1221-Q1225 WeakPolarHBondContact O-CG 3.5Å; I1221-Q1225 PolarHBondContact O-N 2.77Å; L1223-Q1225 PolarHBondContact O-N 3.48Å; L1223-Q1225 VanDerWaalsContact O-N 3.08Å; Q1225-W1230 HydrophobicContact CB-CH2 3.82Å; Q1225-W1230 HydrophobicContact CB-CZ3 4.1Å; Q1225-W1230 HydrophobicContact CG-CH2 3.72Å; Q1225-W1230 HydrophobicContact CG-CZ3 3.53Å; Q1225-W1230 WeakPolarHBondContact O-CZ2 3.19Å |
| 1226 | S | 72.2 | Confident | 76.1 | Confident | 52 Ų | 52 | 30.9 Ų | 30.9 | 36% | 0.364 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -80.6 | -24.7 | -179.5 | 64.5 | 0 | 0 | 0 | 0 | 114.5 | L386 T387 R1222 L1223 | L386-S1226 WeakPolarHBondContact O-CB 3.48Å; L386-S1226 PolarHBondContact O-OG 3.09Å; T387-S1226 PolarHBondContact N-OG 3.02Å; T387-S1226 PolarHBondContact OG1-OG 2.69Å; R1222-S1226 PolarHBondContact O-N 3.05Å; R1222-S1226 PolarHBondContact O-OG 3.45Å; L1223-S1226 WeakPolarHBondContact CA-OG 3.1Å; L1223-S1226 CarbonylContact O-C 3.44Å; L1223-S1226 PolarHBondContact O-N 3.22Å; L1223-S1226 PolarHBondContact O-OG 2.69Å; L1223-S1226 VanDerWaalsContact O-OG 3.13Å |
| 1227 | L | 65.4 | Low | 76.4 | Confident | 50 Ų | 50 | 30.5 Ų | 30.5 | 26% | 0.262 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -85 | -20.5 | 172.7 | -76.6 | 175.1 | 0 | 0 | 0 | 113.4 | T1204 D1205 E1208 L1223 N1229 | T1204-L1227 WeakPolarHBondContact OG1-CD2 3.48Å; D1205-L1227 VanDerWaalsContact OD1-CD1 3.31Å; D1205-L1227 WeakPolarHBondContact OD1-CD1 3.11Å; E1208-L1227 WeakPolarHBondContact OE1-CD1 3.37Å; L1223-L1227 HydrophobicContact CD1-CD1 3.83Å; L1223-L1227 HydrophobicContact CD1-CG 3.84Å; L1223-L1227 HydrophobicContact CD2-CD1 3.78Å; L1223-L1227 HydrophobicContact CG-CD1 3.54Å; L1223-L1227 HydrophobicContact CG-CG 3.95Å; L1223-L1227 WeakPolarHBondContact O-CB 3.49Å; L1223-L1227 PolarHBondContact O-N 3.36Å; L1227-N1229 VanDerWaalsContact C-N 3.3Å; L1227-N1229 HydrophobicContact CB-CB 4.16Å; L1227-N1229 VanDerWaalsContact CD1-ND2 3.3Å; L1227-N1229 WeakPolarHBondContact CD1-ND2 3.38Å |
| 1228 | G | 63 | Low | 76.3 | Confident | 26 Ų | 26 | 34 Ų | 34 | 27% | 0.268 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 19.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | H1224 W1230 | H1224-G1228 CarbonylContact O-C 3.59Å; H1224-G1228 WeakPolarHBondContact O-CA 3.29Å; H1224-G1228 PolarHBondContact O-N 2.94Å; H1224-G1228 VanDerWaalsContact O-N 3.11Å; G1228-W1230 VanDerWaalsContact C-CD1 3.41Å; G1228-W1230 VanDerWaalsContact CA-NE1 3.31Å; G1228-W1230 PolarHBondContact O-N 3.18Å |
| 1229 | N | 74.6 | Confident | 76.1 | Confident | 39 Ų | 39 | 39 Ų | 39 | 21% | 0.209 | 20% | 0.199 | C | C | . | . | trans | -74.9 | 44.3 | 176.2 | -90.4 | -24.5 | 0 | 0 | 0 | 112.3 | E1208 H1224 L1227 S1231 K1232 A1233 | E1208-N1229 PolarHBondContact OE1-ND2 3.5Å; E1208-N1229 PolarHBondContact OE2-ND2 2.49Å; H1224-N1229 HydrophobicContact CB-CB 4.02Å; H1224-N1229 PolarHBondContact O-N 3.41Å; L1227-N1229 VanDerWaalsContact C-N 3.3Å; L1227-N1229 HydrophobicContact CB-CB 4.16Å; L1227-N1229 VanDerWaalsContact CD1-ND2 3.3Å; L1227-N1229 WeakPolarHBondContact CD1-ND2 3.38Å; N1229-S1231 PolarHBondContact O-N 2.9Å; N1229-K1232 HydrophobicContact CB-CD 4.04Å; N1229-K1232 HydrophobicContact CB-CG 4.44Å; N1229-K1232 PolarHBondContact ND2-NZ 2.93Å; N1229-K1232 WeakPolarHBondContact O-CA 3.32Å; N1229-K1232 VanDerWaalsContact O-CB 3.3Å; N1229-K1232 WeakPolarHBondContact O-CB 3.41Å; N1229-K1232 PolarHBondContact O-N 3.45Å; N1229-A1233 PolarHBondContact O-N 3.25Å | ||
| 1230 | W | 76.5 | Confident | 75.8 | Confident | 19 Ų | 19 | 43 Ų | 43 | 7% | 0.072 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.5 | -33.7 | -161.3 | -68.3 | 113.9 | 0 | 0 | 0 | 117 | Q1225 G1228 K1232 A1233 L1234 I1248 A1251 Y1252 E1255 | Q1225-W1230 HydrophobicContact CB-CH2 3.82Å; Q1225-W1230 HydrophobicContact CB-CZ3 4.1Å; Q1225-W1230 HydrophobicContact CG-CH2 3.72Å; Q1225-W1230 HydrophobicContact CG-CZ3 3.53Å; Q1225-W1230 WeakPolarHBondContact O-CZ2 3.19Å; G1228-W1230 VanDerWaalsContact C-CD1 3.41Å; G1228-W1230 VanDerWaalsContact CA-NE1 3.31Å; G1228-W1230 PolarHBondContact O-N 3.18Å; W1230-K1232 VanDerWaalsContact C-N 3.31Å; W1230-A1233 HydrophobicContact CE3-CB 4.46Å; W1230-A1233 VanDerWaalsContact O-CB 3.25Å; W1230-A1233 WeakPolarHBondContact O-CB 2.97Å; W1230-A1233 PolarHBondContact O-N 2.81Å; W1230-L1234 WeakPolarHBondContact O-CG 3.23Å; W1230-L1234 PolarHBondContact O-N 3.43Å; W1230-I1248 HydrophobicContact CE3-CG2 3.98Å; W1230-I1248 HydrophobicContact CZ3-CG2 4.41Å; W1230-A1251 HydrophobicContact CE3-CB 4.01Å; W1230-A1251 HydrophobicContact CH2-CB 3.19Å; W1230-A1251 HydrophobicContact CZ2-CB 3.77Å; W1230-A1251 HydrophobicContact CZ3-CB 3.29Å; W1230-Y1252 VanDerWaalsContact CB-CB 3.47Å; W1230-Y1252 HydrophobicContact CB-CD1 4.22Å; W1230-Y1252 HydrophobicContact CB-CD2 3.05Å; W1230-Y1252 HydrophobicContact CB-CE2 3.74Å; W1230-Y1252 HydrophobicContact CB-CG 3.32Å; W1230-Y1252 VanDerWaalsContact CG-CA 3.45Å; W1230-Y1252 AromaticContact CG-CD2 3.79Å; W1230-Y1252 HydrophobicContact CG-CD2 3.79Å; W1230-Y1252 HydrophobicContact CG-CG 4.19Å; W1230-E1255 HydrophobicContact CZ2-CG 4.42Å; W1230-E1255 VanDerWaalsContact NE1-CD 3.33Å; W1230-E1255 VanDerWaalsContact NE1-CG 3.31Å; W1230-E1255 PolarHBondContact NE1-OE2 3.41Å |
| 1231 | S | 71.5 | Confident | 75.4 | Confident | 49 Ų | 49 | 44 Ų | 44 | 34% | 0.343 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66 | -35.6 | 172.3 | 44.5 | 0 | 0 | 0 | 0 | 111.8 | N1229 L1234 I1235 Y1252 | N1229-S1231 PolarHBondContact O-N 2.9Å; S1231-L1234 PolarHBondContact O-N 3.07Å; S1231-I1235 WeakPolarHBondContact O-CD1 3.12Å; S1231-I1235 VanDerWaalsContact O-CG1 3.26Å; S1231-I1235 WeakPolarHBondContact O-CG1 3.41Å; S1231-I1235 PolarHBondContact O-N 2.94Å; S1231-Y1252 WeakPolarHBondContact CB-OH 3.36Å |
| 1232 | K | 73.9 | Confident | 75.3 | Confident | 87 Ų | 87 | 52.4 Ų | 52.4 | 38% | 0.378 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.6 | -41.6 | 170.4 | -50.8 | -179.5 | -170.8 | 161.1 | 0 | 110.9 | E1208 H1224 N1229 W1230 L1234 I1235 T1236 | E1208-K1232 WeakPolarHBondContact OE2-CD 2.96Å; E1208-K1232 WeakPolarHBondContact OE2-CE 3.34Å; E1208-K1232 IonicContact OE2-NZ 2.75Å; E1208-K1232 PolarHBondContact OE2-NZ 3.08Å; H1224-K1232 WeakPolarHBondContact CE1-CB 3.49Å; N1229-K1232 HydrophobicContact CB-CD 4.04Å; N1229-K1232 HydrophobicContact CB-CG 4.44Å; N1229-K1232 PolarHBondContact ND2-NZ 2.93Å; N1229-K1232 WeakPolarHBondContact O-CA 3.32Å; N1229-K1232 VanDerWaalsContact O-CB 3.3Å; N1229-K1232 WeakPolarHBondContact O-CB 3.41Å; N1229-K1232 PolarHBondContact O-N 3.45Å; W1230-K1232 VanDerWaalsContact C-N 3.31Å; K1232-L1234 PolarHBondContact O-N 3.08Å; K1232-I1235 PolarHBondContact O-N 2.78Å; K1232-T1236 WeakPolarHBondContact O-CB 3.44Å; K1232-T1236 VanDerWaalsContact O-CG2 3.31Å; K1232-T1236 WeakPolarHBondContact O-CG2 3.28Å; K1232-T1236 PolarHBondContact O-N 2.8Å; K1232-T1236 PolarHBondContact O-OG1 3.18Å |
| 1233 | A | 82.3 | Confident | 75.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -51.4 | -44.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | H1224 N1229 W1230 T1236 A1237 I1248 | H1224-A1233 HydrophobicContact CB-CB 3.32Å; H1224-A1233 WeakPolarHBondContact CD2-CA 3.48Å; H1224-A1233 PolarHBondContact CD2-N 3.09Å; H1224-A1233 VanDerWaalsContact CD2-N 3.32Å; N1229-A1233 PolarHBondContact O-N 3.25Å; W1230-A1233 HydrophobicContact CE3-CB 4.46Å; W1230-A1233 VanDerWaalsContact O-CB 3.25Å; W1230-A1233 WeakPolarHBondContact O-CB 2.97Å; W1230-A1233 PolarHBondContact O-N 2.81Å; A1233-T1236 PolarHBondContact O-OG1 2.86Å; A1233-T1236 VanDerWaalsContact O-OG1 3.12Å; A1233-A1237 VanDerWaalsContact O-CB 3.29Å; A1233-A1237 WeakPolarHBondContact O-CB 3.32Å; A1233-A1237 PolarHBondContact O-N 2.86Å; A1233-I1248 HydrophobicContact CB-CB 4.34Å; A1233-I1248 HydrophobicContact CB-CD1 4.11Å; A1233-I1248 HydrophobicContact CB-CG1 4.24Å; A1233-I1248 HydrophobicContact CB-CG2 3.15Å; A1233-I1248 WeakPolarHBondContact O-CD1 3.43Å |
| 1234 | L | 78.5 | Confident | 75.2 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.6 | -55.4 | 178.1 | -75 | -176.3 | 0 | 0 | 0 | 112.8 | W1230 S1231 K1232 T1236 A1237 E1238 L1245 I1248 H1249 Y1252 H1268 | W1230-L1234 WeakPolarHBondContact O-CG 3.23Å; W1230-L1234 PolarHBondContact O-N 3.43Å; S1231-L1234 PolarHBondContact O-N 3.07Å; K1232-L1234 PolarHBondContact O-N 3.08Å; L1234-T1236 PolarHBondContact O-N 3.1Å; L1234-A1237 CarbonylContact O-C 3.58Å; L1234-A1237 WeakPolarHBondContact O-CA 3.14Å; L1234-A1237 WeakPolarHBondContact O-CB 2.91Å; L1234-A1237 PolarHBondContact O-N 3.46Å; L1234-E1238 WeakPolarHBondContact O-CB 3.36Å; L1234-E1238 PolarHBondContact O-N 2.89Å; L1234-L1245 HydrophobicContact CD2-CD1 3.78Å; L1234-L1245 WeakPolarHBondContact O-CD1 3.35Å; L1234-I1248 HydrophobicContact CD2-CB 3.84Å; L1234-I1248 HydrophobicContact CD2-CG2 3.46Å; L1234-I1248 VanDerWaalsContact CD2-CG2 3.46Å; L1234-I1248 HydrophobicContact CG-CG2 3.78Å; L1234-H1249 WeakPolarHBondContact CD1-ND1 3.1Å; L1234-H1249 HydrophobicContact CD2-CB 3.85Å; L1234-H1249 WeakPolarHBondContact CD2-CE1 3.46Å; L1234-H1249 WeakPolarHBondContact CD2-ND1 3.42Å; L1234-Y1252 HydrophobicContact CD1-CD1 3.47Å; L1234-Y1252 VanDerWaalsContact CD1-CD1 3.47Å; L1234-Y1252 HydrophobicContact CD1-CE1 4.12Å; L1234-Y1252 HydrophobicContact CD1-CG 4.42Å; L1234-Y1252 HydrophobicContact CG-CD1 4.32Å; L1234-H1268 WeakPolarHBondContact CD1-ND1 3.16Å |
| 1235 | I | 77 | Confident | 75.4 | Confident | 82 Ų | 82 | 55 Ų | 55 | 42% | 0.421 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.3 | -40.7 | -176.5 | -69 | 165.8 | 0 | 0 | 0 | 109.8 | S1231 K1232 E1238 Q1239 | S1231-I1235 WeakPolarHBondContact O-CD1 3.12Å; S1231-I1235 VanDerWaalsContact O-CG1 3.26Å; S1231-I1235 WeakPolarHBondContact O-CG1 3.41Å; S1231-I1235 PolarHBondContact O-N 2.94Å; K1232-I1235 PolarHBondContact O-N 2.78Å; I1235-E1238 PolarHBondContact O-N 2.85Å; I1235-Q1239 HydrophobicContact CG2-CG 4.47Å; I1235-Q1239 WeakPolarHBondContact O-CB 3.17Å; I1235-Q1239 WeakPolarHBondContact O-CG 3.22Å; I1235-Q1239 PolarHBondContact O-N 2.84Å |
| 1236 | T | 80 | Confident | 75.8 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.1 | -28.3 | 176.1 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | W1217 V1220 H1224 K1232 A1233 L1234 H1240 N1241 | W1217-T1236 HydrophobicContact CE3-CG2 4.06Å; W1217-T1236 HydrophobicContact CZ3-CG2 3.66Å; V1220-T1236 HydrophobicContact CG1-CG2 3.81Å; H1224-T1236 PolarHBondContact CD2-OG1 3.44Å; H1224-T1236 VanDerWaalsContact CD2-OG1 3.27Å; H1224-T1236 WeakPolarHBondContact NE2-CG2 3.34Å; H1224-T1236 PolarHBondContact NE2-OG1 3Å; K1232-T1236 WeakPolarHBondContact O-CB 3.44Å; K1232-T1236 VanDerWaalsContact O-CG2 3.31Å; K1232-T1236 WeakPolarHBondContact O-CG2 3.28Å; K1232-T1236 PolarHBondContact O-N 2.8Å; K1232-T1236 PolarHBondContact O-OG1 3.18Å; A1233-T1236 PolarHBondContact O-OG1 2.86Å; A1233-T1236 VanDerWaalsContact O-OG1 3.12Å; L1234-T1236 PolarHBondContact O-N 3.1Å; T1236-H1240 WeakPolarHBondContact O-CA 2.82Å; T1236-H1240 VanDerWaalsContact O-CB 3.29Å; T1236-H1240 WeakPolarHBondContact O-CB 3.26Å; T1236-H1240 PolarHBondContact O-N 3.17Å; T1236-N1241 PolarHBondContact O-N 3.09Å |
| 1237 | A | 82.1 | Confident | 76.2 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -73 | -49 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1221 A1233 L1234 Q1239 H1240 N1241 R1242 L1245 I1248 | I1221-A1237 HydrophobicContact CD1-CB 3.69Å; I1221-A1237 HydrophobicContact CG1-CB 4.49Å; A1233-A1237 VanDerWaalsContact O-CB 3.29Å; A1233-A1237 WeakPolarHBondContact O-CB 3.32Å; A1233-A1237 PolarHBondContact O-N 2.86Å; L1234-A1237 CarbonylContact O-C 3.58Å; L1234-A1237 WeakPolarHBondContact O-CA 3.14Å; L1234-A1237 WeakPolarHBondContact O-CB 2.91Å; L1234-A1237 PolarHBondContact O-N 3.46Å; A1237-Q1239 PolarHBondContact O-N 3.29Å; A1237-H1240 PolarHBondContact O-N 2.68Å; A1237-N1241 VanDerWaalsContact CA-O 3.28Å; A1237-N1241 WeakPolarHBondContact CA-O 3Å; A1237-N1241 VanDerWaalsContact CB-O 3.26Å; A1237-N1241 WeakPolarHBondContact CB-O 3.21Å; A1237-N1241 CarbonylContact O-C 3.51Å; A1237-N1241 PolarHBondContact O-N 2.67Å; A1237-R1242 VanDerWaalsContact O-CA 3.22Å; A1237-R1242 WeakPolarHBondContact O-CA 3.37Å; A1237-R1242 PolarHBondContact O-N 3.02Å; A1237-L1245 HydrophobicContact CB-CB 3.86Å; A1237-L1245 HydrophobicContact CB-CD1 3.87Å; A1237-I1248 HydrophobicContact CB-CD1 3.45Å; A1237-I1248 VanDerWaalsContact CB-CD1 3.45Å |
| 1238 | E | 77.5 | Confident | 76.8 | Confident | 103 Ų | 103 | 57.2 Ų | 57.2 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -55.3 | -35.4 | 177 | -114.1 | 160.9 | -142.6 | 0 | 0 | 111.8 | L1234 I1235 L1245 H1249 | L1234-E1238 WeakPolarHBondContact O-CB 3.36Å; L1234-E1238 PolarHBondContact O-N 2.89Å; I1235-E1238 PolarHBondContact O-N 2.85Å; E1238-L1245 HydrophobicContact CB-CD1 4.05Å; E1238-L1245 HydrophobicContact CG-CD1 3.68Å; E1238-L1245 HydrophobicContact CG-CD2 3.84Å; E1238-L1245 HydrophobicContact CG-CG 4.42Å; E1238-H1249 IonicContact OE1-CE1 3.81Å; E1238-H1249 IonicContact OE1-NE2 3.67Å |
| 1239 | Q | 76 | Confident | 77.9 | Confident | 125 Ų | 125 | 56.1 Ų | 56.1 | 58% | 0.584 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -92.3 | -30.1 | -178.1 | -67.4 | 171.2 | -6.5 | 0 | 0 | 114.1 | I1235 A1237 | I1235-Q1239 HydrophobicContact CG2-CG 4.47Å; I1235-Q1239 WeakPolarHBondContact O-CB 3.17Å; I1235-Q1239 WeakPolarHBondContact O-CG 3.22Å; I1235-Q1239 PolarHBondContact O-N 2.84Å; A1237-Q1239 PolarHBondContact O-N 3.29Å |
| 1240 | H | 74.7 | Confident | 78.3 | Confident | 88 Ų | 88 | 57.9 Ų | 57.9 | 41% | 0.407 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -145.9 | -9.6 | -165.4 | -50.3 | -72.7 | 0 | 0 | 0 | 117.7 | W1217 T1236 A1237 | W1217-H1240 HydrophobicContact CB-CB 3.87Å; W1217-H1240 VanDerWaalsContact CD1-CB 3.44Å; W1217-H1240 HydrophobicContact CD2-CB 3.27Å; W1217-H1240 AromaticContact CD2-CD2 3.68Å; W1217-H1240 AromaticContact CD2-CG 3.55Å; W1217-H1240 AromaticContact CE2-CD2 3.61Å; W1217-H1240 AromaticContact CE2-CG 3.39Å; W1217-H1240 AromaticContact CE2-ND1 3.79Å; W1217-H1240 HydrophobicContact CE3-CB 3.87Å; W1217-H1240 AromaticContact CE3-CD2 3.55Å; W1217-H1240 AromaticContact CE3-CG 3.91Å; W1217-H1240 HydrophobicContact CG-CB 3.23Å; W1217-H1240 AromaticContact CH2-CD2 3.27Å; W1217-H1240 WeakPolarHBondContact CH2-CD2 3.43Å; W1217-H1240 AromaticContact CH2-CG 3.95Å; W1217-H1240 AromaticContact CH2-NE2 3.37Å; W1217-H1240 WeakPolarHBondContact CH2-NE2 3.21Å; W1217-H1240 HydrophobicContact CZ2-CB 4.27Å; W1217-H1240 AromaticContact CZ2-CD2 3.44Å; W1217-H1240 VanDerWaalsContact CZ2-CD2 3.44Å; W1217-H1240 WeakPolarHBondContact CZ2-CD2 3.48Å; W1217-H1240 AromaticContact CZ2-CE1 3.73Å; W1217-H1240 AromaticContact CZ2-CG 3.63Å; W1217-H1240 AromaticContact CZ2-ND1 3.8Å; W1217-H1240 AromaticContact CZ2-NE2 3.53Å; W1217-H1240 AromaticContact CZ3-CD2 3.34Å; W1217-H1240 WeakPolarHBondContact CZ3-CD2 3.23Å; W1217-H1240 AromaticContact CZ3-NE2 3.9Å; W1217-H1240 AromaticContact NE1-CG 3.78Å; W1217-H1240 AromaticContact NE1-ND1 3.98Å; T1236-H1240 WeakPolarHBondContact O-CA 2.82Å; T1236-H1240 VanDerWaalsContact O-CB 3.29Å; T1236-H1240 WeakPolarHBondContact O-CB 3.26Å; T1236-H1240 PolarHBondContact O-N 3.17Å; A1237-H1240 PolarHBondContact O-N 2.68Å |
| 1241 | N | 71.4 | Confident | 78.7 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 10% | 0.102 | 28% | 0.278 | C | S | . | . | trans | -155.2 | 76.8 | 173 | -174.9 | -37.1 | 0 | 0 | 0 | 109 | W1217 I1221 T1236 A1237 M1243 L1244 | W1217-N1241 HydrophobicContact CB-CB 3.87Å; I1221-N1241 HydrophobicContact CD1-CB 3.65Å; T1236-N1241 PolarHBondContact O-N 3.09Å; A1237-N1241 VanDerWaalsContact CA-O 3.28Å; A1237-N1241 WeakPolarHBondContact CA-O 3Å; A1237-N1241 VanDerWaalsContact CB-O 3.26Å; A1237-N1241 WeakPolarHBondContact CB-O 3.21Å; A1237-N1241 CarbonylContact O-C 3.51Å; A1237-N1241 PolarHBondContact O-N 2.67Å; N1241-M1243 PolarHBondContact O-N 2.97Å; N1241-L1244 PolarHBondContact O-N 2.75Å; N1241-L1244 WeakPolarHBondContact OD1-CG 2.85Å; N1241-L1244 PolarHBondContact OD1-N 3.48Å | ||
| 1242 | R | 76.6 | Confident | 79.1 | Confident | 178 Ų | 178 | 56.9 Ų | 56.9 | 67% | 0.672 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -19.6 | -166.8 | -167.3 | 175.3 | 173.2 | -155.8 | -1 | 112.9 | A1237 L1245 | A1237-R1242 VanDerWaalsContact O-CA 3.22Å; A1237-R1242 WeakPolarHBondContact O-CA 3.37Å; A1237-R1242 PolarHBondContact O-N 3.02Å; R1242-L1245 HydrophobicContact CG-CD2 4.38Å; R1242-L1245 WeakPolarHBondContact O-CB 3.36Å; R1242-L1245 PolarHBondContact O-N 3.26Å |
| 1243 | M | 78.7 | Confident | 79.7 | Confident | 73 Ų | 73 | 52.7 Ų | 52.7 | 36% | 0.36 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -41 | 174.8 | -62.5 | -51.3 | -63.9 | 0 | 0 | 113 | I396 D398 N1241 L1245 | I396-M1243 HydrophobicContact CG2-CE 4.03Å; I396-M1243 HydrophobicContact CG2-CG 4.05Å; I396-M1243 HydrophobicContact CG2-SD 4.41Å; I396-M1243 WeakPolarHBondContact O-CG 3.3Å; D398-M1243 WeakPolarHBondContact O-CE 3.45Å; N1241-M1243 PolarHBondContact O-N 2.97Å; M1243-L1245 VanDerWaalsContact C-N 3.29Å; M1243-L1245 PolarHBondContact O-N 2.62Å |
| 1244 | L | 76.6 | Confident | 79.6 | Confident | 60 Ų | 60 | 56.7 Ų | 56.7 | 31% | 0.314 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -17.1 | -179 | -66.3 | 173.7 | 0 | 0 | 0 | 112.9 | I1221 N1241 R1246 G1247 I1248 | I1221-L1244 HydrophobicContact CB-CD1 4.04Å; I1221-L1244 HydrophobicContact CD1-CB 4.09Å; I1221-L1244 HydrophobicContact CD1-CD1 3.97Å; I1221-L1244 HydrophobicContact CG2-CB 4Å; I1221-L1244 HydrophobicContact CG2-CD1 3.64Å; I1221-L1244 HydrophobicContact CG2-CG 4.39Å; N1241-L1244 PolarHBondContact O-N 2.75Å; N1241-L1244 WeakPolarHBondContact OD1-CG 2.85Å; N1241-L1244 PolarHBondContact OD1-N 3.48Å; L1244-R1246 VanDerWaalsContact C-N 3.32Å; L1244-R1246 PolarHBondContact O-N 2.75Å; L1244-R1246 VanDerWaalsContact O-N 3.11Å; L1244-G1247 PolarHBondContact O-N 2.92Å; L1244-I1248 HydrophobicContact CB-CD1 3.9Å; L1244-I1248 HydrophobicContact CB-CG1 4.36Å; L1244-I1248 VanDerWaalsContact O-CG1 3.23Å; L1244-I1248 WeakPolarHBondContact O-CG1 3.47Å; L1244-I1248 PolarHBondContact O-N 3.02Å |
| 1245 | L | 81.4 | Confident | 79.4 | Confident | 23 Ų | 23 | 58.7 Ų | 58.7 | 12% | 0.12 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -45.7 | -47.1 | -173.9 | -176.7 | 65.3 | 0 | 0 | 0 | 114.2 | L1234 A1237 E1238 R1242 M1243 I1248 H1249 | L1234-L1245 HydrophobicContact CD2-CD1 3.78Å; L1234-L1245 WeakPolarHBondContact O-CD1 3.35Å; A1237-L1245 HydrophobicContact CB-CB 3.86Å; A1237-L1245 HydrophobicContact CB-CD1 3.87Å; E1238-L1245 HydrophobicContact CB-CD1 4.05Å; E1238-L1245 HydrophobicContact CG-CD1 3.68Å; E1238-L1245 HydrophobicContact CG-CD2 3.84Å; E1238-L1245 HydrophobicContact CG-CG 4.42Å; R1242-L1245 HydrophobicContact CG-CD2 4.38Å; R1242-L1245 WeakPolarHBondContact O-CB 3.36Å; R1242-L1245 PolarHBondContact O-N 3.26Å; M1243-L1245 VanDerWaalsContact C-N 3.29Å; M1243-L1245 PolarHBondContact O-N 2.62Å; L1245-I1248 PolarHBondContact O-N 2.74Å; L1245-H1249 VanDerWaalsContact CD1-NE2 3.34Å; L1245-H1249 WeakPolarHBondContact CD1-NE2 3.38Å; L1245-H1249 VanDerWaalsContact CG-NE2 3.34Å; L1245-H1249 WeakPolarHBondContact CG-NE2 3.31Å; L1245-H1249 PolarHBondContact O-CD2 3.38Å; L1245-H1249 PolarHBondContact O-N 3.48Å |
| 1246 | R | 81.3 | Confident | 79.5 | Confident | 168 Ų | 168 | 55.4 Ų | 55.4 | 63% | 0.634 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -67.9 | -46.3 | -179.9 | -71.2 | 178.8 | 175.1 | 171.9 | -3.3 | 113.3 | L1244 I1248 H1249 Y1250 | L1244-R1246 VanDerWaalsContact C-N 3.32Å; L1244-R1246 PolarHBondContact O-N 2.75Å; L1244-R1246 VanDerWaalsContact O-N 3.11Å; R1246-I1248 PolarHBondContact O-N 3.29Å; R1246-H1249 PolarHBondContact O-N 3.06Å; R1246-Y1250 WeakPolarHBondContact O-CB 3.21Å; R1246-Y1250 PolarHBondContact O-N 2.94Å |
| 1247 | G | 81.7 | Confident | 79.5 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 47% | 0.474 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.7 | -30.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1244 A1251 | L1244-G1247 PolarHBondContact O-N 2.92Å; G1247-A1251 PolarHBondContact O-N 3.44Å |
| 1248 | I | 78.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -75 | -50.4 | 172.2 | -61.4 | 165.3 | 0 | 0 | 0 | 112.4 | I1221 W1230 A1233 L1234 A1237 L1244 L1245 R1246 Y1250 A1251 Y1252 | I1221-I1248 HydrophobicContact CB-CD1 4.15Å; I1221-I1248 HydrophobicContact CD1-CD1 3.9Å; I1221-I1248 HydrophobicContact CG1-CD1 3.81Å; I1221-I1248 HydrophobicContact CG2-CD1 3.3Å; I1221-I1248 HydrophobicContact CG2-CG1 3.69Å; W1230-I1248 HydrophobicContact CE3-CG2 3.98Å; W1230-I1248 HydrophobicContact CZ3-CG2 4.41Å; A1233-I1248 HydrophobicContact CB-CB 4.34Å; A1233-I1248 HydrophobicContact CB-CD1 4.11Å; A1233-I1248 HydrophobicContact CB-CG1 4.24Å; A1233-I1248 HydrophobicContact CB-CG2 3.15Å; A1233-I1248 WeakPolarHBondContact O-CD1 3.43Å; L1234-I1248 HydrophobicContact CD2-CB 3.84Å; L1234-I1248 HydrophobicContact CD2-CG2 3.46Å; L1234-I1248 VanDerWaalsContact CD2-CG2 3.46Å; L1234-I1248 HydrophobicContact CG-CG2 3.78Å; A1237-I1248 HydrophobicContact CB-CD1 3.45Å; A1237-I1248 VanDerWaalsContact CB-CD1 3.45Å; L1244-I1248 HydrophobicContact CB-CD1 3.9Å; L1244-I1248 HydrophobicContact CB-CG1 4.36Å; L1244-I1248 VanDerWaalsContact O-CG1 3.23Å; L1244-I1248 WeakPolarHBondContact O-CG1 3.47Å; L1244-I1248 PolarHBondContact O-N 3.02Å; L1245-I1248 PolarHBondContact O-N 2.74Å; R1246-I1248 PolarHBondContact O-N 3.29Å; I1248-Y1250 PolarHBondContact O-N 3.5Å; I1248-Y1250 VanDerWaalsContact O-N 3.13Å; I1248-A1251 CarbonylContact O-C 3.47Å; I1248-A1251 PolarHBondContact O-N 3.19Å; I1248-A1251 VanDerWaalsContact O-N 3.09Å; I1248-Y1252 WeakPolarHBondContact O-CB 3.08Å; I1248-Y1252 PolarHBondContact O-N 3.2Å |
| 1249 | H | 85.1 | Confident | 78.9 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.019 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.7 | -36.5 | 179.6 | -77 | -66.8 | 0 | 0 | 0 | 109.9 | L1234 E1238 L1245 R1246 A1253 Q1271 S1272 | L1234-H1249 WeakPolarHBondContact CD1-ND1 3.1Å; L1234-H1249 HydrophobicContact CD2-CB 3.85Å; L1234-H1249 WeakPolarHBondContact CD2-CE1 3.46Å; L1234-H1249 WeakPolarHBondContact CD2-ND1 3.42Å; E1238-H1249 IonicContact OE1-CE1 3.81Å; E1238-H1249 IonicContact OE1-NE2 3.67Å; L1245-H1249 VanDerWaalsContact CD1-NE2 3.34Å; L1245-H1249 WeakPolarHBondContact CD1-NE2 3.38Å; L1245-H1249 VanDerWaalsContact CG-NE2 3.34Å; L1245-H1249 WeakPolarHBondContact CG-NE2 3.31Å; L1245-H1249 PolarHBondContact O-CD2 3.38Å; L1245-H1249 PolarHBondContact O-N 3.48Å; R1246-H1249 PolarHBondContact O-N 3.06Å; H1249-A1253 WeakPolarHBondContact O-CB 3.3Å; H1249-A1253 PolarHBondContact O-N 2.85Å; H1249-Q1271 HydrophobicContact CB-CB 4.5Å; H1249-Q1271 PolarHBondContact CD2-O 2.69Å; H1249-Q1271 WeakPolarHBondContact CE1-CB 2.96Å; H1249-Q1271 PolarHBondContact CE1-OE1 3.1Å; H1249-Q1271 WeakPolarHBondContact ND1-CB 3.33Å; H1249-Q1271 PolarHBondContact ND1-OE1 3.2Å; H1249-Q1271 VanDerWaalsContact ND1-OE1 3.08Å; H1249-S1272 VanDerWaalsContact CB-CA 3.41Å; H1249-S1272 VanDerWaalsContact CB-N 3.32Å |
| 1250 | Y | 84.2 | Confident | 78.8 | Confident | 75 Ų | 75 | 57.1 Ų | 57.1 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.5 | -56.9 | 176.9 | 167.4 | -115 | 0 | 0 | 0 | 110.7 | R1246 I1248 Y1252 A1253 K1254 S1272 T1274 E1278 | R1246-Y1250 WeakPolarHBondContact O-CB 3.21Å; R1246-Y1250 PolarHBondContact O-N 2.94Å; I1248-Y1250 PolarHBondContact O-N 3.5Å; I1248-Y1250 VanDerWaalsContact O-N 3.13Å; Y1250-Y1252 VanDerWaalsContact C-N 3.35Å; Y1250-A1253 PolarHBondContact O-N 3.42Å; Y1250-K1254 HydrophobicContact CE1-CD 4.1Å; Y1250-K1254 VanDerWaalsContact O-CB 3.32Å; Y1250-K1254 WeakPolarHBondContact O-CB 3.22Å; Y1250-K1254 PolarHBondContact O-N 3.12Å; Y1250-K1254 WeakPolarHBondContact OH-CE 3.21Å; Y1250-K1254 PolarHBondContact OH-NZ 3.36Å; Y1250-S1272 VanDerWaalsContact N-CB 3.29Å; Y1250-T1274 HydrophobicContact CD2-CG2 3.65Å; Y1250-T1274 WeakPolarHBondContact CD2-OG1 3.47Å; Y1250-T1274 HydrophobicContact CE2-CG2 4.46Å; Y1250-T1274 HydrophobicContact CG-CG2 4.26Å; Y1250-E1278 HydrophobicContact CE2-CG 4.38Å; Y1250-E1278 VanDerWaalsContact CE2-OE1 3.26Å; Y1250-E1278 WeakPolarHBondContact CE2-OE1 3.39Å; Y1250-E1278 PolarHBondContact OH-OE1 3.23Å |
| 1251 | A | 83 | Confident | 78.9 | Confident | 18 Ų | 18 | 55.3 Ų | 55.3 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -76.5 | -21.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | W1230 G1247 I1248 K1254 E1255 | W1230-A1251 HydrophobicContact CE3-CB 4.01Å; W1230-A1251 HydrophobicContact CH2-CB 3.19Å; W1230-A1251 HydrophobicContact CZ2-CB 3.77Å; W1230-A1251 HydrophobicContact CZ3-CB 3.29Å; G1247-A1251 PolarHBondContact O-N 3.44Å; I1248-A1251 CarbonylContact O-C 3.47Å; I1248-A1251 PolarHBondContact O-N 3.19Å; I1248-A1251 VanDerWaalsContact O-N 3.09Å; A1251-K1254 WeakPolarHBondContact O-CB 3.13Å; A1251-E1255 WeakPolarHBondContact O-CG 3.21Å; A1251-E1255 PolarHBondContact O-N 3.44Å; A1251-E1255 VanDerWaalsContact O-N 3.15Å |
| 1252 | Y | 81.5 | Confident | 79.3 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 11% | 0.114 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.8 | -57.2 | 165.5 | -172.1 | -169.2 | 0 | 0 | 0 | 110.1 | W1230 S1231 L1234 I1248 Y1250 K1254 E1255 L1256 H1268 | W1230-Y1252 VanDerWaalsContact CB-CB 3.47Å; W1230-Y1252 HydrophobicContact CB-CD1 4.22Å; W1230-Y1252 HydrophobicContact CB-CD2 3.05Å; W1230-Y1252 HydrophobicContact CB-CE2 3.74Å; W1230-Y1252 HydrophobicContact CB-CG 3.32Å; W1230-Y1252 VanDerWaalsContact CG-CA 3.45Å; W1230-Y1252 AromaticContact CG-CD2 3.79Å; W1230-Y1252 HydrophobicContact CG-CD2 3.79Å; W1230-Y1252 HydrophobicContact CG-CG 4.19Å; S1231-Y1252 WeakPolarHBondContact CB-OH 3.36Å; L1234-Y1252 HydrophobicContact CD1-CD1 3.47Å; L1234-Y1252 VanDerWaalsContact CD1-CD1 3.47Å; L1234-Y1252 HydrophobicContact CD1-CE1 4.12Å; L1234-Y1252 HydrophobicContact CD1-CG 4.42Å; L1234-Y1252 HydrophobicContact CG-CD1 4.32Å; I1248-Y1252 WeakPolarHBondContact O-CB 3.08Å; I1248-Y1252 PolarHBondContact O-N 3.2Å; Y1250-Y1252 VanDerWaalsContact C-N 3.35Å; Y1252-K1254 VanDerWaalsContact C-N 3.27Å; Y1252-K1254 PolarHBondContact O-N 3.42Å; Y1252-E1255 CarbonylContact O-C 3.57Å; Y1252-E1255 WeakPolarHBondContact O-CA 3.3Å; Y1252-E1255 PolarHBondContact O-N 3.33Å; Y1252-L1256 HydrophobicContact CD1-CD1 3.78Å; Y1252-L1256 HydrophobicContact CD2-CD1 3.51Å; Y1252-L1256 HydrophobicContact CD2-CD2 4.3Å; Y1252-L1256 HydrophobicContact CD2-CG 3.53Å; Y1252-L1256 HydrophobicContact CE1-CD1 3.7Å; Y1252-L1256 HydrophobicContact CE2-CD1 3.44Å; Y1252-L1256 VanDerWaalsContact CE2-CD1 3.44Å; Y1252-L1256 HydrophobicContact CE2-CD2 3.6Å; Y1252-L1256 HydrophobicContact CE2-CG 3.34Å; Y1252-L1256 HydrophobicContact CG-CD1 3.74Å; Y1252-L1256 HydrophobicContact CG-CG 4.25Å; Y1252-L1256 PolarHBondContact O-N 2.82Å; Y1252-H1268 HydrophobicContact CD1-CB 3.68Å; Y1252-H1268 AromaticContact CD1-CD2 3.59Å; Y1252-H1268 AromaticContact CD1-CG 3.31Å; Y1252-H1268 AromaticContact CD1-ND1 3.65Å; Y1252-H1268 HydrophobicContact CE1-CB 4.27Å; Y1252-H1268 AromaticContact CE1-CD2 3.23Å; Y1252-H1268 WeakPolarHBondContact CE1-CD2 3.39Å; Y1252-H1268 AromaticContact CE1-CE1 3.64Å; Y1252-H1268 AromaticContact CE1-CG 3.46Å; Y1252-H1268 VanDerWaalsContact CE1-CG 3.46Å; Y1252-H1268 AromaticContact CE1-ND1 3.72Å; Y1252-H1268 AromaticContact CE1-NE2 3.33Å; Y1252-H1268 VanDerWaalsContact CE1-NE2 3.33Å; Y1252-H1268 WeakPolarHBondContact CE1-NE2 3.42Å; Y1252-H1268 HydrophobicContact CG-CB 4.31Å |
| 1253 | A | 85 | Confident | 79.6 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.7 | -28.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | H1249 Y1250 E1255 L1256 E1257 H1268 Y1269 | H1249-A1253 WeakPolarHBondContact O-CB 3.3Å; H1249-A1253 PolarHBondContact O-N 2.85Å; Y1250-A1253 PolarHBondContact O-N 3.42Å; A1253-E1255 PolarHBondContact O-N 2.92Å; A1253-L1256 PolarHBondContact O-N 3.33Å; A1253-E1257 WeakPolarHBondContact O-CB 3.39Å; A1253-E1257 PolarHBondContact O-N 3.19Å; A1253-H1268 HydrophobicContact CB-CB 3.86Å; A1253-Y1269 VanDerWaalsContact C-OH 3.29Å; A1253-Y1269 HydrophobicContact CB-CD1 3.07Å; A1253-Y1269 HydrophobicContact CB-CD2 3.72Å; A1253-Y1269 HydrophobicContact CB-CE1 3.33Å; A1253-Y1269 HydrophobicContact CB-CE2 3.96Å; A1253-Y1269 HydrophobicContact CB-CG 3.26Å; A1253-Y1269 WeakPolarHBondContact O-CE2 3.24Å; A1253-Y1269 PolarHBondContact O-OH 3.21Å; A1253-Y1269 VanDerWaalsContact O-OH 3.08Å |
| 1254 | K | 80.3 | Confident | 79.6 | Confident | 83 Ų | 83 | 54.8 Ų | 54.8 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -52.5 | -35.8 | 162.8 | -164.7 | 174.3 | -165.8 | 161.9 | 0 | 113 | Y1250 A1251 Y1252 S1258 Y1269 | Y1250-K1254 HydrophobicContact CE1-CD 4.1Å; Y1250-K1254 VanDerWaalsContact O-CB 3.32Å; Y1250-K1254 WeakPolarHBondContact O-CB 3.22Å; Y1250-K1254 PolarHBondContact O-N 3.12Å; Y1250-K1254 WeakPolarHBondContact OH-CE 3.21Å; Y1250-K1254 PolarHBondContact OH-NZ 3.36Å; A1251-K1254 WeakPolarHBondContact O-CB 3.13Å; Y1252-K1254 VanDerWaalsContact C-N 3.27Å; Y1252-K1254 PolarHBondContact O-N 3.42Å; K1254-S1258 PolarHBondContact O-N 2.75Å; K1254-Y1269 WeakPolarHBondContact CA-OH 3.32Å; K1254-Y1269 VanDerWaalsContact N-CE1 3.28Å; K1254-Y1269 PolarHBondContact N-OH 3Å |
| 1255 | E | 74.2 | Confident | 79.9 | Confident | 46 Ų | 46 | 51.9 Ų | 51.9 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -92.8 | -28.9 | 178.8 | -61.9 | -133.9 | 160.4 | 0 | 0 | 113.2 | R383 W1230 A1251 Y1252 A1253 E1257 S1258 V1259 | R383-E1255 IonicContact CZ-OE1 3.8Å; R383-E1255 IonicContact NE-OE1 2.86Å; R383-E1255 IonicContact NH2-OE1 2.67Å; R383-E1255 PolarHBondContact NH2-OE1 3.07Å; W1230-E1255 HydrophobicContact CZ2-CG 4.42Å; W1230-E1255 VanDerWaalsContact NE1-CD 3.33Å; W1230-E1255 VanDerWaalsContact NE1-CG 3.31Å; W1230-E1255 PolarHBondContact NE1-OE2 3.41Å; A1251-E1255 WeakPolarHBondContact O-CG 3.21Å; A1251-E1255 PolarHBondContact O-N 3.44Å; A1251-E1255 VanDerWaalsContact O-N 3.15Å; Y1252-E1255 CarbonylContact O-C 3.57Å; Y1252-E1255 WeakPolarHBondContact O-CA 3.3Å; Y1252-E1255 PolarHBondContact O-N 3.33Å; A1253-E1255 PolarHBondContact O-N 2.92Å; E1255-E1257 VanDerWaalsContact C-N 3.3Å; E1255-E1257 PolarHBondContact O-N 2.62Å; E1255-S1258 WeakPolarHBondContact CA-OG 3.46Å; E1255-S1258 CarbonylContact O-C 3.58Å; E1255-S1258 WeakPolarHBondContact O-CA 3.46Å; E1255-S1258 WeakPolarHBondContact O-CB 3.41Å; E1255-S1258 PolarHBondContact O-N 3.32Å; E1255-S1258 PolarHBondContact O-OG 2.59Å; E1255-V1259 WeakPolarHBondContact O-CB 3.3Å; E1255-V1259 VanDerWaalsContact O-CG2 3.27Å; E1255-V1259 WeakPolarHBondContact O-CG2 3.3Å; E1255-V1259 PolarHBondContact O-N 3.21Å |
| 1256 | L | 79.7 | Confident | 80 | Confident | 13 Ų | 13 | 51.6 Ų | 51.6 | 7% | 0.068 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.5 | -34.9 | 166.6 | -71.3 | 160.4 | 0 | 0 | 0 | 111.9 | Y1252 A1253 V1259 G1260 D1261 Q1264 A1265 H1268 | Y1252-L1256 HydrophobicContact CD1-CD1 3.78Å; Y1252-L1256 HydrophobicContact CD2-CD1 3.51Å; Y1252-L1256 HydrophobicContact CD2-CD2 4.3Å; Y1252-L1256 HydrophobicContact CD2-CG 3.53Å; Y1252-L1256 HydrophobicContact CE1-CD1 3.7Å; Y1252-L1256 HydrophobicContact CE2-CD1 3.44Å; Y1252-L1256 VanDerWaalsContact CE2-CD1 3.44Å; Y1252-L1256 HydrophobicContact CE2-CD2 3.6Å; Y1252-L1256 HydrophobicContact CE2-CG 3.34Å; Y1252-L1256 HydrophobicContact CG-CD1 3.74Å; Y1252-L1256 HydrophobicContact CG-CG 4.25Å; Y1252-L1256 PolarHBondContact O-N 2.82Å; A1253-L1256 PolarHBondContact O-N 3.33Å; L1256-V1259 CarbonylContact O-C 3.52Å; L1256-V1259 PolarHBondContact O-N 3.01Å; L1256-G1260 PolarHBondContact O-N 3.15Å; L1256-D1261 HydrophobicContact CD2-CB 4.32Å; L1256-D1261 PolarHBondContact O-N 2.92Å; L1256-Q1264 HydrophobicContact CD1-CB 4.37Å; L1256-Q1264 HydrophobicContact CD2-CB 4.25Å; L1256-A1265 HydrophobicContact CB-CB 3.5Å; L1256-A1265 VanDerWaalsContact CB-CB 3.5Å; L1256-H1268 HydrophobicContact CD1-CB 3.88Å; L1256-H1268 VanDerWaalsContact CD1-CD2 3.44Å; L1256-H1268 WeakPolarHBondContact CD1-CD2 3.31Å |
| 1257 | E | 80.5 | Confident | 80.2 | Confident | 31 Ų | 31 | 48.7 Ų | 48.7 | 15% | 0.145 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.5 | -38.5 | 168.6 | 179.6 | 174.5 | 177.5 | 0 | 0 | 111.3 | A1253 E1255 V1259 G1260 Y1269 R1281 M1282 | A1253-E1257 WeakPolarHBondContact O-CB 3.39Å; A1253-E1257 PolarHBondContact O-N 3.19Å; E1255-E1257 VanDerWaalsContact C-N 3.3Å; E1255-E1257 PolarHBondContact O-N 2.62Å; E1257-V1259 PolarHBondContact O-N 3.09Å; E1257-G1260 PolarHBondContact O-N 2.93Å; E1257-Y1269 HydrophobicContact CB-CE2 4.11Å; E1257-Y1269 PolarHBondContact OE2-OH 3.32Å; E1257-R1281 WeakPolarHBondContact OE1-CG 3.23Å; E1257-R1281 IonicContact OE1-CZ 2.74Å; E1257-R1281 IonicContact OE1-NE 3.12Å; E1257-R1281 IonicContact OE1-NH1 3.94Å; E1257-R1281 PolarHBondContact OE1-NH1 3.07Å; E1257-R1281 IonicContact OE1-NH2 2.6Å; E1257-R1281 IonicContact OE2-CZ 2.72Å; E1257-R1281 IonicContact OE2-NE 2.81Å; E1257-R1281 IonicContact OE2-NH1 3.06Å; E1257-R1281 PolarHBondContact OE2-NH1 2.79Å; E1257-R1281 IonicContact OE2-NH2 3.08Å; E1257-R1281 PolarHBondContact OE2-NH2 3.07Å; E1257-M1282 HydrophobicContact CB-CB 4.47Å; E1257-M1282 HydrophobicContact CB-CG 4.32Å; E1257-M1282 HydrophobicContact CB-SD 3.82Å; E1257-M1282 VanDerWaalsContact CD-CB 3.46Å; E1257-M1282 HydrophobicContact CG-CB 3.76Å; E1257-M1282 HydrophobicContact CG-CG 3.78Å; E1257-M1282 HydrophobicContact CG-SD 3.97Å; E1257-M1282 VanDerWaalsContact OE1-CA 3.29Å; E1257-M1282 WeakPolarHBondContact OE1-CA 3.17Å; E1257-M1282 PolarHBondContact OE1-N 2.72Å |
| 1258 | S | 73.7 | Confident | 80.3 | Confident | 88 Ų | 88 | 47.9 Ų | 47.9 | 62% | 0.615 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -65.5 | -27.7 | 173.6 | 85.7 | 0 | 0 | 0 | 0 | 113.2 | K1254 E1255 | K1254-S1258 PolarHBondContact O-N 2.75Å; E1255-S1258 WeakPolarHBondContact CA-OG 3.46Å; E1255-S1258 CarbonylContact O-C 3.58Å; E1255-S1258 WeakPolarHBondContact O-CA 3.46Å; E1255-S1258 WeakPolarHBondContact O-CB 3.41Å; E1255-S1258 PolarHBondContact O-N 3.32Å; E1255-S1258 PolarHBondContact O-OG 2.59Å |
| 1259 | V | 73.3 | Confident | 80.7 | Confident | 112 Ų | 112 | 47.9 Ų | 47.9 | 68% | 0.679 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -81.6 | -20.3 | 172 | 165.6 | 0 | 0 | 0 | 0 | 111.7 | E1255 L1256 E1257 | E1255-V1259 WeakPolarHBondContact O-CB 3.3Å; E1255-V1259 VanDerWaalsContact O-CG2 3.27Å; E1255-V1259 WeakPolarHBondContact O-CG2 3.3Å; E1255-V1259 PolarHBondContact O-N 3.21Å; L1256-V1259 CarbonylContact O-C 3.52Å; L1256-V1259 PolarHBondContact O-N 3.01Å; E1257-V1259 PolarHBondContact O-N 3.09Å |
| 1260 | G | 73.4 | Confident | 80.6 | Confident | 46 Ų | 46 | 49.3 Ų | 49.3 | 47% | 0.474 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 18.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | L1256 E1257 I1262 | L1256-G1260 PolarHBondContact O-N 3.15Å; E1257-G1260 PolarHBondContact O-N 2.93Å; G1260-I1262 VanDerWaalsContact C-N 3.26Å; G1260-I1262 WeakPolarHBondContact O-CG1 3.49Å; G1260-I1262 PolarHBondContact O-N 3.04Å |
| 1261 | D | 76.2 | Confident | 80.6 | Confident | 50 Ų | 50 | 50 Ų | 50 | 27% | 0.267 | 27% | 0.268 | S | S | . | . | trans | -77.4 | 86.1 | 167.2 | -167.9 | -35.7 | 0 | 0 | 0 | 109.3 | L1256 Q1263 Q1264 A1265 | L1256-D1261 HydrophobicContact CD2-CB 4.32Å; L1256-D1261 PolarHBondContact O-N 2.92Å; D1261-Q1263 PolarHBondContact O-N 2.74Å; D1261-Q1263 PolarHBondContact OD1-N 3.24Å; D1261-Q1263 VanDerWaalsContact OD1-N 3.08Å; D1261-Q1264 HydrophobicContact CB-CB 4.36Å; D1261-Q1264 PolarHBondContact O-N 2.8Å; D1261-Q1264 PolarHBondContact OD1-N 3.46Å; D1261-Q1264 PolarHBondContact OD2-NE2 3.29Å; D1261-A1265 WeakPolarHBondContact O-CB 3.49Å; D1261-A1265 PolarHBondContact O-N 3.25Å | ||
| 1262 | I | 79.6 | Confident | 80.6 | Confident | 49 Ų | 49 | 49.8 Ų | 49.8 | 25% | 0.251 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.1 | -27.8 | -174.4 | -63.1 | -167.7 | 0 | 0 | 0 | 112.8 | G1260 I1266 M1282 L1283 | G1260-I1262 VanDerWaalsContact C-N 3.26Å; G1260-I1262 WeakPolarHBondContact O-CG1 3.49Å; G1260-I1262 PolarHBondContact O-N 3.04Å; I1262-I1266 WeakPolarHBondContact O-CB 3.06Å; I1262-I1266 WeakPolarHBondContact O-CD1 3.21Å; I1262-I1266 WeakPolarHBondContact O-CG1 3.39Å; I1262-M1282 HydrophobicContact CB-CG 4.4Å; I1262-M1282 HydrophobicContact CB-SD 4.27Å; I1262-M1282 HydrophobicContact CD1-CG 4.36Å; I1262-M1282 HydrophobicContact CG1-CG 3.87Å; I1262-M1282 HydrophobicContact CG1-SD 4.16Å; I1262-M1282 HydrophobicContact CG2-CE 4.16Å; I1262-M1282 HydrophobicContact CG2-CG 4.28Å; I1262-M1282 HydrophobicContact CG2-SD 4.41Å; I1262-M1282 VanDerWaalsContact O-CE 3.22Å; I1262-M1282 WeakPolarHBondContact O-CE 3.32Å; I1262-L1283 HydrophobicContact CG2-CD1 4.02Å; I1262-L1283 HydrophobicContact CG2-CD2 3.37Å; I1262-L1283 HydrophobicContact CG2-CG 3.39Å |
| 1263 | Q | 83.1 | Confident | 80.5 | Confident | 127 Ų | 127 | 50.3 Ų | 50.3 | 59% | 0.593 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -91 | -29.3 | -176.3 | -68.4 | -174 | -46.5 | 0 | 0 | 112.6 | D1261 I1266 | D1261-Q1263 PolarHBondContact O-N 2.74Å; D1261-Q1263 PolarHBondContact OD1-N 3.24Å; D1261-Q1263 VanDerWaalsContact OD1-N 3.08Å; Q1263-I1266 WeakPolarHBondContact O-CB 3.3Å; Q1263-I1266 VanDerWaalsContact O-CG2 3.27Å; Q1263-I1266 WeakPolarHBondContact O-CG2 3.44Å |
| 1264 | Q | 78.6 | Confident | 80.4 | Confident | 82 Ų | 82 | 51.7 Ų | 51.7 | 38% | 0.383 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -88.6 | -35.5 | 174.9 | -67.5 | -174.9 | 67.6 | 0 | 0 | 113.2 | L1256 D1261 I1266 E1267 H1268 | L1256-Q1264 HydrophobicContact CD1-CB 4.37Å; L1256-Q1264 HydrophobicContact CD2-CB 4.25Å; D1261-Q1264 HydrophobicContact CB-CB 4.36Å; D1261-Q1264 PolarHBondContact O-N 2.8Å; D1261-Q1264 PolarHBondContact OD1-N 3.46Å; D1261-Q1264 PolarHBondContact OD2-NE2 3.29Å; Q1264-I1266 PolarHBondContact O-N 2.88Å; Q1264-E1267 PolarHBondContact O-N 2.91Å; Q1264-H1268 PolarHBondContact O-CD2 2.84Å; Q1264-H1268 VanDerWaalsContact O-CD2 3.26Å; Q1264-H1268 PolarHBondContact O-N 3.28Å |
| 1265 | A | 83.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -54.9 | -36.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L1256 D1261 Y1269 M1282 | L1256-A1265 HydrophobicContact CB-CB 3.5Å; L1256-A1265 VanDerWaalsContact CB-CB 3.5Å; D1261-A1265 WeakPolarHBondContact O-CB 3.49Å; D1261-A1265 PolarHBondContact O-N 3.25Å; A1265-Y1269 HydrophobicContact CB-CD2 4.12Å; A1265-Y1269 HydrophobicContact CB-CE2 4.06Å; A1265-Y1269 WeakPolarHBondContact O-CB 3.25Å; A1265-Y1269 WeakPolarHBondContact O-CD2 3.4Å; A1265-Y1269 VanDerWaalsContact O-CG 3.22Å; A1265-Y1269 PolarHBondContact O-N 3.12Å; A1265-M1282 HydrophobicContact CB-CE 3.47Å; A1265-M1282 VanDerWaalsContact CB-CE 3.47Å; A1265-M1282 HydrophobicContact CB-SD 3.26Å; A1265-M1282 WeakPolarHBondContact CB-SD 3.2Å |
| 1266 | I | 83.2 | Confident | 80.6 | Confident | 16 Ų | 16 | 46.4 Ų | 46.4 | 8% | 0.082 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -49.4 | -58 | 168.1 | -100.1 | 167.1 | 0 | 0 | 0 | 112.3 | I1262 Q1263 Q1264 Y1269 I1270 V1279 M1282 L1283 F1293 | I1262-I1266 WeakPolarHBondContact O-CB 3.06Å; I1262-I1266 WeakPolarHBondContact O-CD1 3.21Å; I1262-I1266 WeakPolarHBondContact O-CG1 3.39Å; Q1263-I1266 WeakPolarHBondContact O-CB 3.3Å; Q1263-I1266 VanDerWaalsContact O-CG2 3.27Å; Q1263-I1266 WeakPolarHBondContact O-CG2 3.44Å; Q1264-I1266 PolarHBondContact O-N 2.88Å; I1266-Y1269 PolarHBondContact O-N 2.89Å; I1266-I1270 HydrophobicContact CG2-CD1 4.22Å; I1266-I1270 WeakPolarHBondContact O-CD1 3.09Å; I1266-I1270 VanDerWaalsContact O-CG1 3.25Å; I1266-I1270 WeakPolarHBondContact O-CG1 3.39Å; I1266-I1270 PolarHBondContact O-N 3.09Å; I1266-V1279 HydrophobicContact CB-CG2 4.28Å; I1266-V1279 HydrophobicContact CD1-CG1 3.89Å; I1266-V1279 HydrophobicContact CG1-CB 4.14Å; I1266-V1279 HydrophobicContact CG1-CG1 3.37Å; I1266-V1279 HydrophobicContact CG1-CG2 3.63Å; I1266-M1282 HydrophobicContact CG1-CE 4.21Å; I1266-L1283 HydrophobicContact CD1-CD1 3.47Å; I1266-L1283 VanDerWaalsContact CD1-CD1 3.47Å; I1266-L1283 HydrophobicContact CG1-CD1 4.43Å; I1266-F1293 HydrophobicContact CB-CD2 4.35Å; I1266-F1293 HydrophobicContact CB-CE2 4Å; I1266-F1293 HydrophobicContact CB-CZ 4.5Å; I1266-F1293 HydrophobicContact CD1-CB 4.02Å; I1266-F1293 HydrophobicContact CD1-CD1 4.21Å; I1266-F1293 HydrophobicContact CD1-CD2 3.41Å; I1266-F1293 VanDerWaalsContact CD1-CD2 3.41Å; I1266-F1293 HydrophobicContact CD1-CE2 3.87Å; I1266-F1293 HydrophobicContact CD1-CG 3.58Å; I1266-F1293 HydrophobicContact CD1-CZ 4.42Å; I1266-F1293 HydrophobicContact CG1-CD1 4.39Å; I1266-F1293 HydrophobicContact CG1-CD2 3.71Å; I1266-F1293 HydrophobicContact CG1-CE1 4.28Å; I1266-F1293 HydrophobicContact CG1-CE2 3.59Å; I1266-F1293 HydrophobicContact CG1-CG 4.1Å; I1266-F1293 HydrophobicContact CG1-CZ 3.87Å; I1266-F1293 HydrophobicContact CG2-CD2 3.7Å; I1266-F1293 HydrophobicContact CG2-CE2 3.3Å; I1266-F1293 HydrophobicContact CG2-CZ 4.16Å |
| 1267 | E | 85.6 | Confident | 80.6 | Confident | 108 Ų | 108 | 53.1 Ų | 53.1 | 51% | 0.505 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.8 | -39.4 | -172.3 | -61.3 | -176.7 | 164 | 0 | 0 | 111.8 | Q1264 I1270 Q1271 | Q1264-E1267 PolarHBondContact O-N 2.91Å; E1267-I1270 WeakPolarHBondContact O-CB 3.49Å; E1267-I1270 PolarHBondContact O-N 3.39Å; E1267-Q1271 VanDerWaalsContact O-CG 3.27Å; E1267-Q1271 WeakPolarHBondContact O-CG 3.19Å; E1267-Q1271 PolarHBondContact O-N 3.37Å; E1267-Q1271 VanDerWaalsContact O-N 3.12Å |
| 1268 | H | 83.7 | Confident | 80.7 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 13% | 0.13 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -79.5 | -30 | -180 | -65.4 | -62.2 | 0 | 0 | 0 | 113 | L1234 Y1252 A1253 L1256 Q1264 I1270 Q1271 S1272 | L1234-H1268 WeakPolarHBondContact CD1-ND1 3.16Å; Y1252-H1268 HydrophobicContact CD1-CB 3.68Å; Y1252-H1268 AromaticContact CD1-CD2 3.59Å; Y1252-H1268 AromaticContact CD1-CG 3.31Å; Y1252-H1268 AromaticContact CD1-ND1 3.65Å; Y1252-H1268 HydrophobicContact CE1-CB 4.27Å; Y1252-H1268 AromaticContact CE1-CD2 3.23Å; Y1252-H1268 WeakPolarHBondContact CE1-CD2 3.39Å; Y1252-H1268 AromaticContact CE1-CE1 3.64Å; Y1252-H1268 AromaticContact CE1-CG 3.46Å; Y1252-H1268 VanDerWaalsContact CE1-CG 3.46Å; Y1252-H1268 AromaticContact CE1-ND1 3.72Å; Y1252-H1268 AromaticContact CE1-NE2 3.33Å; Y1252-H1268 VanDerWaalsContact CE1-NE2 3.33Å; Y1252-H1268 WeakPolarHBondContact CE1-NE2 3.42Å; Y1252-H1268 HydrophobicContact CG-CB 4.31Å; A1253-H1268 HydrophobicContact CB-CB 3.86Å; L1256-H1268 HydrophobicContact CD1-CB 3.88Å; L1256-H1268 VanDerWaalsContact CD1-CD2 3.44Å; L1256-H1268 WeakPolarHBondContact CD1-CD2 3.31Å; Q1264-H1268 PolarHBondContact O-CD2 2.84Å; Q1264-H1268 VanDerWaalsContact O-CD2 3.26Å; Q1264-H1268 PolarHBondContact O-N 3.28Å; H1268-I1270 PolarHBondContact O-N 2.78Å; H1268-Q1271 PolarHBondContact CE1-OE1 3.2Å; H1268-Q1271 PolarHBondContact ND1-OE1 3Å; H1268-Q1271 PolarHBondContact O-N 3.25Å; H1268-S1272 PolarHBondContact O-N 3.15Å; H1268-S1272 VanDerWaalsContact O-N 3.14Å; H1268-S1272 PolarHBondContact O-OG 3.15Å |
| 1269 | Y | 87.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.8 | -30 | 165.3 | -79.1 | -44.3 | 0 | 0 | 0 | 111.4 | A1253 K1254 E1257 A1265 I1266 S1272 G1273 T1274 H1275 E1278 V1279 R1281 M1282 | A1253-Y1269 VanDerWaalsContact C-OH 3.29Å; A1253-Y1269 HydrophobicContact CB-CD1 3.07Å; A1253-Y1269 HydrophobicContact CB-CD2 3.72Å; A1253-Y1269 HydrophobicContact CB-CE1 3.33Å; A1253-Y1269 HydrophobicContact CB-CE2 3.96Å; A1253-Y1269 HydrophobicContact CB-CG 3.26Å; A1253-Y1269 WeakPolarHBondContact O-CE2 3.24Å; A1253-Y1269 PolarHBondContact O-OH 3.21Å; A1253-Y1269 VanDerWaalsContact O-OH 3.08Å; K1254-Y1269 WeakPolarHBondContact CA-OH 3.32Å; K1254-Y1269 VanDerWaalsContact N-CE1 3.28Å; K1254-Y1269 PolarHBondContact N-OH 3Å; E1257-Y1269 HydrophobicContact CB-CE2 4.11Å; E1257-Y1269 PolarHBondContact OE2-OH 3.32Å; A1265-Y1269 HydrophobicContact CB-CD2 4.12Å; A1265-Y1269 HydrophobicContact CB-CE2 4.06Å; A1265-Y1269 WeakPolarHBondContact O-CB 3.25Å; A1265-Y1269 WeakPolarHBondContact O-CD2 3.4Å; A1265-Y1269 VanDerWaalsContact O-CG 3.22Å; A1265-Y1269 PolarHBondContact O-N 3.12Å; I1266-Y1269 PolarHBondContact O-N 2.89Å; Y1269-S1272 WeakPolarHBondContact CA-OG 3.22Å; Y1269-S1272 PolarHBondContact O-OG 2.86Å; Y1269-G1273 PolarHBondContact O-N 2.6Å; Y1269-T1274 VanDerWaalsContact CD1-OG1 3.3Å; Y1269-T1274 WeakPolarHBondContact CD1-OG1 3.37Å; Y1269-T1274 CarbonylContact O-C 3.58Å; Y1269-T1274 PolarHBondContact O-N 3.16Å; Y1269-H1275 WeakPolarHBondContact O-CB 3.26Å; Y1269-H1275 PolarHBondContact O-N 3.35Å; Y1269-H1275 PolarHBondContact O-ND1 2.98Å; Y1269-E1278 HydrophobicContact CD1-CB 3.55Å; Y1269-E1278 HydrophobicContact CD1-CG 3.95Å; Y1269-E1278 HydrophobicContact CD2-CB 3.74Å; Y1269-E1278 HydrophobicContact CE1-CB 3.19Å; Y1269-E1278 HydrophobicContact CE1-CG 3.48Å; Y1269-E1278 VanDerWaalsContact CE1-CG 3.48Å; Y1269-E1278 HydrophobicContact CE2-CB 3.38Å; Y1269-E1278 HydrophobicContact CG-CB 3.84Å; Y1269-E1278 WeakPolarHBondContact OH-CB 3.09Å; Y1269-V1279 HydrophobicContact CD2-CG2 3.64Å; Y1269-V1279 HydrophobicContact CG-CG2 4.13Å; Y1269-R1281 PolarHBondContact OH-NH2 2.85Å; Y1269-M1282 HydrophobicContact CD2-CE 4.4Å; Y1269-M1282 HydrophobicContact CE2-CE 4.42Å |
| 1270 | I | 84 | Confident | 81.5 | Confident | 35 Ų | 35 | 43.3 Ų | 43.3 | 18% | 0.179 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.4 | -53.3 | 174 | -71.9 | 155.3 | 0 | 0 | 0 | 109.7 | I1266 E1267 H1268 S1272 G1273 H1275 F1293 Q1297 | I1266-I1270 HydrophobicContact CG2-CD1 4.22Å; I1266-I1270 WeakPolarHBondContact O-CD1 3.09Å; I1266-I1270 VanDerWaalsContact O-CG1 3.25Å; I1266-I1270 WeakPolarHBondContact O-CG1 3.39Å; I1266-I1270 PolarHBondContact O-N 3.09Å; E1267-I1270 WeakPolarHBondContact O-CB 3.49Å; E1267-I1270 PolarHBondContact O-N 3.39Å; H1268-I1270 PolarHBondContact O-N 2.78Å; I1270-S1272 VanDerWaalsContact C-N 3.28Å; I1270-S1272 PolarHBondContact O-N 2.9Å; I1270-G1273 PolarHBondContact O-N 3.13Å; I1270-H1275 WeakPolarHBondContact CA-ND1 3.29Å; I1270-H1275 HydrophobicContact CG1-CB 3.9Å; I1270-H1275 PolarHBondContact O-ND1 2.88Å; I1270-F1293 HydrophobicContact CD1-CE2 3.74Å; I1270-F1293 HydrophobicContact CD1-CZ 3.92Å; I1270-F1293 HydrophobicContact CG1-CZ 4.19Å; I1270-Q1297 HydrophobicContact CD1-CG 3.76Å; I1270-Q1297 VanDerWaalsContact CD1-NE2 3.27Å; I1270-Q1297 HydrophobicContact CG1-CG 4.46Å |
| 1271 | Q | 82.8 | Confident | 81.9 | Confident | 90 Ų | 90 | 46.4 Ų | 46.4 | 42% | 0.421 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.3 | -25.9 | -174.6 | -62.1 | 158.5 | -4.8 | 0 | 0 | 113.6 | H1249 E1267 H1268 G1273 | H1249-Q1271 HydrophobicContact CB-CB 4.5Å; H1249-Q1271 PolarHBondContact CD2-O 2.69Å; H1249-Q1271 WeakPolarHBondContact CE1-CB 2.96Å; H1249-Q1271 PolarHBondContact CE1-OE1 3.1Å; H1249-Q1271 WeakPolarHBondContact ND1-CB 3.33Å; H1249-Q1271 PolarHBondContact ND1-OE1 3.2Å; H1249-Q1271 VanDerWaalsContact ND1-OE1 3.08Å; E1267-Q1271 VanDerWaalsContact O-CG 3.27Å; E1267-Q1271 WeakPolarHBondContact O-CG 3.19Å; E1267-Q1271 PolarHBondContact O-N 3.37Å; E1267-Q1271 VanDerWaalsContact O-N 3.12Å; H1268-Q1271 PolarHBondContact CE1-OE1 3.2Å; H1268-Q1271 PolarHBondContact ND1-OE1 3Å; H1268-Q1271 PolarHBondContact O-N 3.25Å; Q1271-G1273 VanDerWaalsContact C-N 3.34Å |
| 1272 | S | 82.8 | Confident | 82 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.5 | -22.6 | 169.4 | 50.2 | 0 | 0 | 0 | 0 | 114.7 | H1249 Y1250 H1268 Y1269 I1270 T1274 | H1249-S1272 VanDerWaalsContact CB-CA 3.41Å; H1249-S1272 VanDerWaalsContact CB-N 3.32Å; Y1250-S1272 VanDerWaalsContact N-CB 3.29Å; H1268-S1272 PolarHBondContact O-N 3.15Å; H1268-S1272 VanDerWaalsContact O-N 3.14Å; H1268-S1272 PolarHBondContact O-OG 3.15Å; Y1269-S1272 WeakPolarHBondContact CA-OG 3.22Å; Y1269-S1272 PolarHBondContact O-OG 2.86Å; I1270-S1272 VanDerWaalsContact C-N 3.28Å; I1270-S1272 PolarHBondContact O-N 2.9Å; S1272-T1274 PolarHBondContact OG-N 2.88Å; S1272-T1274 PolarHBondContact OG-OG1 2.78Å |
| 1273 | G | 80.8 | Confident | 82.2 | Confident | 40 Ų | 40 | 42.5 Ų | 42.5 | 41% | 0.412 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 16.6 | -161.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y1269 I1270 Q1271 C1276 | Y1269-G1273 PolarHBondContact O-N 2.6Å; I1270-G1273 PolarHBondContact O-N 3.13Å; Q1271-G1273 VanDerWaalsContact C-N 3.34Å; G1273-C1276 PolarHBondContact O-SG 3.14Å |
| 1274 | T | 82 | Confident | 81.9 | Confident | 30 Ų | 30 | 42.5 Ų | 42.5 | 18% | 0.184 | 21% | 0.208 | C | C | . | . | trans | -108.9 | 3 | -179.7 | 68.1 | 0 | 0 | 0 | 0 | 114.5 | Y1250 Y1269 S1272 C1276 F1277 E1278 | Y1250-T1274 HydrophobicContact CD2-CG2 3.65Å; Y1250-T1274 WeakPolarHBondContact CD2-OG1 3.47Å; Y1250-T1274 HydrophobicContact CE2-CG2 4.46Å; Y1250-T1274 HydrophobicContact CG-CG2 4.26Å; Y1269-T1274 VanDerWaalsContact CD1-OG1 3.3Å; Y1269-T1274 WeakPolarHBondContact CD1-OG1 3.37Å; Y1269-T1274 CarbonylContact O-C 3.58Å; Y1269-T1274 PolarHBondContact O-N 3.16Å; S1272-T1274 PolarHBondContact OG-N 2.88Å; S1272-T1274 PolarHBondContact OG-OG1 2.78Å; T1274-C1276 PolarHBondContact O-N 3.19Å; T1274-F1277 PolarHBondContact O-N 3.3Å; T1274-F1277 VanDerWaalsContact O-N 3.11Å; T1274-E1278 PolarHBondContact O-N 3.41Å | ||
| 1275 | H | 81.8 | Confident | 81.8 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.028 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -22.6 | 166.2 | 61.2 | -105.9 | 0 | 0 | 0 | 113.4 | Y1269 I1270 F1277 V1279 P1280 D1299 I1302 | Y1269-H1275 WeakPolarHBondContact O-CB 3.26Å; Y1269-H1275 PolarHBondContact O-N 3.35Å; Y1269-H1275 PolarHBondContact O-ND1 2.98Å; I1270-H1275 WeakPolarHBondContact CA-ND1 3.29Å; I1270-H1275 HydrophobicContact CG1-CB 3.9Å; I1270-H1275 PolarHBondContact O-ND1 2.88Å; H1275-F1277 PolarHBondContact O-N 3.37Å; H1275-V1279 HydrophobicContact CB-CG2 4.25Å; H1275-P1280 WeakPolarHBondContact O-CD 3.17Å; H1275-D1299 IonicContact CE1-OD1 3.21Å; H1275-D1299 IonicContact CE1-OD2 2.69Å; H1275-D1299 PolarHBondContact CE1-OD2 2.91Å; H1275-D1299 IonicContact ND1-OD2 2.77Å; H1275-D1299 IonicContact NE2-OD1 3.17Å; H1275-D1299 IonicContact NE2-OD2 2.8Å; H1275-D1299 PolarHBondContact NE2-OD2 3.04Å; H1275-I1302 HydrophobicContact CB-CD1 4.16Å; H1275-I1302 HydrophobicContact CB-CG1 4.4Å; H1275-I1302 VanDerWaalsContact CD2-CD1 3.45Å; H1275-I1302 WeakPolarHBondContact CD2-CD1 3.46Å; H1275-I1302 WeakPolarHBondContact CD2-CG1 3.46Å |
| 1276 | C | 76.6 | Confident | 81.3 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 7% | 0.074 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.4 | 178.8 | -49.7 | 0 | 0 | 0 | 0 | 112.8 | G1273 T1274 N1301 | G1273-C1276 PolarHBondContact O-SG 3.14Å; T1274-C1276 PolarHBondContact O-N 3.19Å; C1276-N1301 HydrophobicContact CB-CB 3.61Å; C1276-N1301 WeakPolarHBondContact SG-CB 3.29Å; C1276-N1301 PolarHBondContact SG-ND2 2.99Å |
| 1277 | F | 79.6 | Confident | 80.9 | Confident | 155 Ų | 155 | 50.3 Ų | 50.3 | 68% | 0.68 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.8 | -32.1 | -169.5 | -56.4 | -69.4 | 0 | 0 | 0 | 113 | T1274 H1275 P1280 R1281 | T1274-F1277 PolarHBondContact O-N 3.3Å; T1274-F1277 VanDerWaalsContact O-N 3.11Å; H1275-F1277 PolarHBondContact O-N 3.37Å; F1277-P1280 WeakPolarHBondContact O-CB 3.5Å; F1277-R1281 PolarHBondContact O-N 3.22Å |
| 1278 | E | 82.5 | Confident | 80.6 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -100.3 | -35.1 | -164.9 | -55 | -83.6 | -131.3 | 0 | 0 | 112.8 | Y1250 Y1269 T1274 R1281 M1282 | Y1250-E1278 HydrophobicContact CE2-CG 4.38Å; Y1250-E1278 VanDerWaalsContact CE2-OE1 3.26Å; Y1250-E1278 WeakPolarHBondContact CE2-OE1 3.39Å; Y1250-E1278 PolarHBondContact OH-OE1 3.23Å; Y1269-E1278 HydrophobicContact CD1-CB 3.55Å; Y1269-E1278 HydrophobicContact CD1-CG 3.95Å; Y1269-E1278 HydrophobicContact CD2-CB 3.74Å; Y1269-E1278 HydrophobicContact CE1-CB 3.19Å; Y1269-E1278 HydrophobicContact CE1-CG 3.48Å; Y1269-E1278 VanDerWaalsContact CE1-CG 3.48Å; Y1269-E1278 HydrophobicContact CE2-CB 3.38Å; Y1269-E1278 HydrophobicContact CG-CB 3.84Å; Y1269-E1278 WeakPolarHBondContact OH-CB 3.09Å; T1274-E1278 PolarHBondContact O-N 3.41Å; E1278-R1281 VanDerWaalsContact CD-NH2 3.3Å; E1278-R1281 WeakPolarHBondContact O-CB 3.35Å; E1278-R1281 PolarHBondContact O-N 3.36Å; E1278-R1281 IonicContact OE1-NH2 2.98Å; E1278-R1281 PolarHBondContact OE1-NH2 3.06Å; E1278-R1281 IonicContact OE2-CZ 2.68Å; E1278-R1281 IonicContact OE2-NE 2.67Å; E1278-R1281 PolarHBondContact OE2-NE 3.46Å; E1278-R1281 IonicContact OE2-NH2 2.62Å; E1278-R1281 PolarHBondContact OE2-NH2 3.01Å; E1278-M1282 WeakPolarHBondContact O-CB 3.48Å; E1278-M1282 PolarHBondContact O-N 3.4Å |
| 1279 | V | 83 | Confident | 80.3 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.7 | -54.8 | 167.7 | 175 | 0 | 0 | 0 | 0 | 111.8 | I1266 Y1269 H1275 R1281 M1282 L1283 L1290 F1293 | I1266-V1279 HydrophobicContact CB-CG2 4.28Å; I1266-V1279 HydrophobicContact CD1-CG1 3.89Å; I1266-V1279 HydrophobicContact CG1-CB 4.14Å; I1266-V1279 HydrophobicContact CG1-CG1 3.37Å; I1266-V1279 HydrophobicContact CG1-CG2 3.63Å; Y1269-V1279 HydrophobicContact CD2-CG2 3.64Å; Y1269-V1279 HydrophobicContact CG-CG2 4.13Å; H1275-V1279 HydrophobicContact CB-CG2 4.25Å; V1279-R1281 VanDerWaalsContact C-N 3.27Å; V1279-R1281 PolarHBondContact O-N 3.05Å; V1279-M1282 HydrophobicContact CB-CE 4.47Å; V1279-M1282 HydrophobicContact CG1-CE 4.37Å; V1279-M1282 HydrophobicContact CG2-CE 4.23Å; V1279-M1282 PolarHBondContact O-N 2.72Å; V1279-L1283 HydrophobicContact CG1-CD1 3.95Å; V1279-L1283 WeakPolarHBondContact O-CB 3.36Å; V1279-L1283 PolarHBondContact O-N 3.45Å; V1279-L1290 HydrophobicContact CG1-CD1 4.35Å; V1279-F1293 HydrophobicContact CB-CE1 3.98Å; V1279-F1293 HydrophobicContact CB-CZ 4.39Å; V1279-F1293 HydrophobicContact CG1-CD1 3.62Å; V1279-F1293 HydrophobicContact CG1-CE1 3.39Å; V1279-F1293 HydrophobicContact CG1-CG 4.38Å; V1279-F1293 HydrophobicContact CG1-CZ 3.99Å; V1279-F1293 HydrophobicContact CG2-CE1 4.32Å; V1279-F1293 HydrophobicContact CG2-CZ 4.23Å |
| 1280 | P | 81.8 | Confident | 79.9 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.013 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -27.2 | -56.5 | 156.7 | -45.2 | 44.4 | 0 | 0 | 0 | 117.2 | H1275 F1277 Q1284 W1305 | H1275-P1280 WeakPolarHBondContact O-CD 3.17Å; F1277-P1280 WeakPolarHBondContact O-CB 3.5Å; P1280-Q1284 PolarHBondContact O-N 2.92Å; P1280-W1305 HydrophobicContact CB-CD2 3.37Å; P1280-W1305 HydrophobicContact CB-CE3 3.85Å; P1280-W1305 HydrophobicContact CB-CG 3.65Å; P1280-W1305 HydrophobicContact CB-CH2 4.21Å; P1280-W1305 HydrophobicContact CB-CZ2 3.81Å; P1280-W1305 HydrophobicContact CB-CZ3 4.26Å; P1280-W1305 HydrophobicContact CG-CB 3.89Å; P1280-W1305 HydrophobicContact CG-CD2 3.43Å; P1280-W1305 VanDerWaalsContact CG-CD2 3.43Å; P1280-W1305 HydrophobicContact CG-CE3 3.68Å; P1280-W1305 HydrophobicContact CG-CG 3.46Å; P1280-W1305 VanDerWaalsContact CG-CG 3.46Å; P1280-W1305 HydrophobicContact CG-CZ3 4.4Å; P1280-W1305 WeakPolarHBondContact O-CH2 3.29Å; P1280-W1305 WeakPolarHBondContact O-CZ2 3.37Å |
| 1281 | R | 81.3 | Confident | 79.8 | Confident | 112 Ų | 112 | 56.2 Ų | 56.2 | 42% | 0.423 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.7 | -54.1 | -179.1 | -179.9 | 168.9 | 60.1 | 85.4 | -5.3 | 111 | E1257 Y1269 F1277 E1278 V1279 L1283 Q1284 | E1257-R1281 WeakPolarHBondContact OE1-CG 3.23Å; E1257-R1281 IonicContact OE1-CZ 2.74Å; E1257-R1281 IonicContact OE1-NE 3.12Å; E1257-R1281 IonicContact OE1-NH1 3.94Å; E1257-R1281 PolarHBondContact OE1-NH1 3.07Å; E1257-R1281 IonicContact OE1-NH2 2.6Å; E1257-R1281 IonicContact OE2-CZ 2.72Å; E1257-R1281 IonicContact OE2-NE 2.81Å; E1257-R1281 IonicContact OE2-NH1 3.06Å; E1257-R1281 PolarHBondContact OE2-NH1 2.79Å; E1257-R1281 IonicContact OE2-NH2 3.08Å; E1257-R1281 PolarHBondContact OE2-NH2 3.07Å; Y1269-R1281 PolarHBondContact OH-NH2 2.85Å; F1277-R1281 PolarHBondContact O-N 3.22Å; E1278-R1281 VanDerWaalsContact CD-NH2 3.3Å; E1278-R1281 WeakPolarHBondContact O-CB 3.35Å; E1278-R1281 PolarHBondContact O-N 3.36Å; E1278-R1281 IonicContact OE1-NH2 2.98Å; E1278-R1281 PolarHBondContact OE1-NH2 3.06Å; E1278-R1281 IonicContact OE2-CZ 2.68Å; E1278-R1281 IonicContact OE2-NE 2.67Å; E1278-R1281 PolarHBondContact OE2-NE 3.46Å; E1278-R1281 IonicContact OE2-NH2 2.62Å; E1278-R1281 PolarHBondContact OE2-NH2 3.01Å; V1279-R1281 VanDerWaalsContact C-N 3.27Å; V1279-R1281 PolarHBondContact O-N 3.05Å; R1281-L1283 PolarHBondContact O-N 2.94Å; R1281-Q1284 VanDerWaalsContact O-CB 3.25Å; R1281-Q1284 WeakPolarHBondContact O-CB 3.14Å; R1281-Q1284 PolarHBondContact O-N 3.22Å |
| 1282 | M | 78.8 | Confident | 79.8 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.2 | -47.1 | -179.1 | -178.5 | 172.2 | 59.2 | 0 | 0 | 113.9 | E1257 I1262 A1265 I1266 Y1269 E1278 V1279 Q1284 | E1257-M1282 HydrophobicContact CB-CB 4.47Å; E1257-M1282 HydrophobicContact CB-CG 4.32Å; E1257-M1282 HydrophobicContact CB-SD 3.82Å; E1257-M1282 VanDerWaalsContact CD-CB 3.46Å; E1257-M1282 HydrophobicContact CG-CB 3.76Å; E1257-M1282 HydrophobicContact CG-CG 3.78Å; E1257-M1282 HydrophobicContact CG-SD 3.97Å; E1257-M1282 VanDerWaalsContact OE1-CA 3.29Å; E1257-M1282 WeakPolarHBondContact OE1-CA 3.17Å; E1257-M1282 PolarHBondContact OE1-N 2.72Å; I1262-M1282 HydrophobicContact CB-CG 4.4Å; I1262-M1282 HydrophobicContact CB-SD 4.27Å; I1262-M1282 HydrophobicContact CD1-CG 4.36Å; I1262-M1282 HydrophobicContact CG1-CG 3.87Å; I1262-M1282 HydrophobicContact CG1-SD 4.16Å; I1262-M1282 HydrophobicContact CG2-CE 4.16Å; I1262-M1282 HydrophobicContact CG2-CG 4.28Å; I1262-M1282 HydrophobicContact CG2-SD 4.41Å; I1262-M1282 VanDerWaalsContact O-CE 3.22Å; I1262-M1282 WeakPolarHBondContact O-CE 3.32Å; A1265-M1282 HydrophobicContact CB-CE 3.47Å; A1265-M1282 VanDerWaalsContact CB-CE 3.47Å; A1265-M1282 HydrophobicContact CB-SD 3.26Å; A1265-M1282 WeakPolarHBondContact CB-SD 3.2Å; I1266-M1282 HydrophobicContact CG1-CE 4.21Å; Y1269-M1282 HydrophobicContact CD2-CE 4.4Å; Y1269-M1282 HydrophobicContact CE2-CE 4.42Å; E1278-M1282 WeakPolarHBondContact O-CB 3.48Å; E1278-M1282 PolarHBondContact O-N 3.4Å; V1279-M1282 HydrophobicContact CB-CE 4.47Å; V1279-M1282 HydrophobicContact CG1-CE 4.37Å; V1279-M1282 HydrophobicContact CG2-CE 4.23Å; V1279-M1282 PolarHBondContact O-N 2.72Å; M1282-Q1284 VanDerWaalsContact C-N 3.28Å; M1282-Q1284 PolarHBondContact O-N 3.21Å |
| 1283 | L | 82.7 | Confident | 79.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 1.8 | -175.8 | -97.8 | 175.1 | 0 | 0 | 0 | 113.7 | I1262 I1266 V1279 R1281 N1285 N1286 L1289 L1290 F1293 | I1262-L1283 HydrophobicContact CG2-CD1 4.02Å; I1262-L1283 HydrophobicContact CG2-CD2 3.37Å; I1262-L1283 HydrophobicContact CG2-CG 3.39Å; I1266-L1283 HydrophobicContact CD1-CD1 3.47Å; I1266-L1283 VanDerWaalsContact CD1-CD1 3.47Å; I1266-L1283 HydrophobicContact CG1-CD1 4.43Å; V1279-L1283 HydrophobicContact CG1-CD1 3.95Å; V1279-L1283 WeakPolarHBondContact O-CB 3.36Å; V1279-L1283 PolarHBondContact O-N 3.45Å; R1281-L1283 PolarHBondContact O-N 2.94Å; L1283-N1285 PolarHBondContact O-N 3.35Å; L1283-N1286 HydrophobicContact CD2-CB 3.87Å; L1283-N1286 PolarHBondContact O-N 3.01Å; L1283-L1289 HydrophobicContact CD2-CB 3.76Å; L1283-L1289 HydrophobicContact CD2-CD1 4.48Å; L1283-L1290 HydrophobicContact CB-CB 3.95Å; L1283-L1290 HydrophobicContact CB-CD1 3.68Å; L1283-L1290 HydrophobicContact CB-CD2 3.61Å; L1283-L1290 HydrophobicContact CB-CG 3.92Å; L1283-L1290 HydrophobicContact CD1-CB 3.96Å; L1283-L1290 HydrophobicContact CD1-CD1 3.69Å; L1283-L1290 HydrophobicContact CD1-CG 4.31Å; L1283-L1290 HydrophobicContact CD2-CB 4.34Å; L1283-L1290 HydrophobicContact CG-CB 4.31Å; L1283-L1290 HydrophobicContact CG-CD1 4.3Å; L1283-L1290 WeakPolarHBondContact O-CD2 3.44Å; L1283-F1293 HydrophobicContact CD1-CB 4.41Å |
| 1284 | Q | 77.9 | Confident | 79.8 | Confident | 126 Ų | 126 | 52 Ų | 52 | 59% | 0.589 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | -40.5 | -175.9 | -172.4 | 172.9 | 8.2 | 0 | 0 | 112.4 | P1280 R1281 M1282 K1309 | P1280-Q1284 PolarHBondContact O-N 2.92Å; R1281-Q1284 VanDerWaalsContact O-CB 3.25Å; R1281-Q1284 WeakPolarHBondContact O-CB 3.14Å; R1281-Q1284 PolarHBondContact O-N 3.22Å; M1282-Q1284 VanDerWaalsContact C-N 3.28Å; M1282-Q1284 PolarHBondContact O-N 3.21Å; Q1284-K1309 PolarHBondContact O-NZ 3.43Å |
| 1285 | N | 75.4 | Confident | 79.9 | Confident | 160 Ų | 160 | 55.4 Ų | 55.4 | 86% | 0.856 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -24.7 | -179.7 | -66.1 | -27.8 | 0 | 0 | 0 | 115 | L1283 | L1283-N1285 PolarHBondContact O-N 3.35Š|
| 1286 | N | 72.9 | Confident | 79.7 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | trans | -112.7 | 73.2 | -172.9 | -161.3 | -19.4 | 0 | 0 | 0 | 111.9 | L1283 K1288 L1289 L1290 | L1283-N1286 HydrophobicContact CD2-CB 3.87Å; L1283-N1286 PolarHBondContact O-N 3.01Å; N1286-K1288 VanDerWaalsContact C-N 3.25Å; N1286-K1288 PolarHBondContact O-N 3.39Å; N1286-K1288 VanDerWaalsContact O-N 3.09Å; N1286-L1289 WeakPolarHBondContact ND2-CD1 3.46Å; N1286-L1289 PolarHBondContact O-N 3.39Å; N1286-L1290 PolarHBondContact O-N 3.12Å | ||
| 1287 | S | 75.8 | Confident | 79.6 | Confident | 33 Ų | 33 | 63.8 Ų | 63.8 | 23% | 0.231 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.1 | -31 | -169.2 | -151 | 0 | 0 | 0 | 0 | 115.2 | E1291 W1306 K1309 Q1313 | S1287-E1291 PolarHBondContact O-N 3.37Å; S1287-E1291 VanDerWaalsContact O-N 3.08Å; S1287-W1306 WeakPolarHBondContact O-CH2 3.22Å; S1287-W1306 WeakPolarHBondContact OG-CH2 3.01Å; S1287-K1309 WeakPolarHBondContact OG-CE 3.35Å; S1287-Q1313 PolarHBondContact OG-NE2 3.25Å; S1287-Q1313 VanDerWaalsContact OG-NE2 3.09Å |
| 1288 | K | 79.4 | Confident | 79.3 | Confident | 173 Ų | 173 | 62.8 Ų | 62.8 | 75% | 0.752 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -76.6 | -42.2 | -177 | -67.2 | -174.1 | 177.7 | -175.9 | 0 | 113.2 | N1286 L1290 E1291 S1292 | N1286-K1288 VanDerWaalsContact C-N 3.25Å; N1286-K1288 PolarHBondContact O-N 3.39Å; N1286-K1288 VanDerWaalsContact O-N 3.09Å; K1288-L1290 PolarHBondContact O-N 2.99Å; K1288-E1291 PolarHBondContact O-N 2.99Å; K1288-S1292 PolarHBondContact O-N 2.84Å; K1288-S1292 VanDerWaalsContact O-N 3.14Å; K1288-S1292 PolarHBondContact O-OG 2.95Å |
| 1289 | L | 76.3 | Confident | 79.1 | Confident | 63 Ų | 63 | 64.6 Ų | 64.6 | 33% | 0.33 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.6 | -33.2 | 175.1 | -73 | -176 | 0 | 0 | 0 | 111.4 | L1283 N1286 S1292 F1293 | L1283-L1289 HydrophobicContact CD2-CB 3.76Å; L1283-L1289 HydrophobicContact CD2-CD1 4.48Å; N1286-L1289 WeakPolarHBondContact ND2-CD1 3.46Å; N1286-L1289 PolarHBondContact O-N 3.39Å; L1289-S1292 VanDerWaalsContact C-OG 3.3Å; L1289-S1292 WeakPolarHBondContact CA-OG 3.14Å; L1289-S1292 PolarHBondContact O-N 3.1Å; L1289-S1292 PolarHBondContact O-OG 3.07Å; L1289-F1293 WeakPolarHBondContact O-CB 3.46Å; L1289-F1293 PolarHBondContact O-N 2.86Å |
| 1290 | L | 80.1 | Confident | 79 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -73.5 | -39 | 179.7 | -169.6 | 46 | 0 | 0 | 0 | 113.1 | V1279 L1283 N1286 K1288 F1293 V1294 W1305 W1306 K1309 | V1279-L1290 HydrophobicContact CG1-CD1 4.35Å; L1283-L1290 HydrophobicContact CB-CB 3.95Å; L1283-L1290 HydrophobicContact CB-CD1 3.68Å; L1283-L1290 HydrophobicContact CB-CD2 3.61Å; L1283-L1290 HydrophobicContact CB-CG 3.92Å; L1283-L1290 HydrophobicContact CD1-CB 3.96Å; L1283-L1290 HydrophobicContact CD1-CD1 3.69Å; L1283-L1290 HydrophobicContact CD1-CG 4.31Å; L1283-L1290 HydrophobicContact CD2-CB 4.34Å; L1283-L1290 HydrophobicContact CG-CB 4.31Å; L1283-L1290 HydrophobicContact CG-CD1 4.3Å; L1283-L1290 WeakPolarHBondContact O-CD2 3.44Å; N1286-L1290 PolarHBondContact O-N 3.12Å; K1288-L1290 PolarHBondContact O-N 2.99Å; L1290-F1293 HydrophobicContact CD1-CD1 4.17Å; L1290-F1293 PolarHBondContact O-N 3.41Å; L1290-V1294 HydrophobicContact CD1-CG2 4.29Å; L1290-V1294 WeakPolarHBondContact O-CB 3.07Å; L1290-V1294 WeakPolarHBondContact O-CG2 3.48Å; L1290-V1294 PolarHBondContact O-N 3.13Å; L1290-W1305 HydrophobicContact CD1-CZ3 3.87Å; L1290-W1305 HydrophobicContact CD2-CH2 3.37Å; L1290-W1305 HydrophobicContact CD2-CZ3 3.23Å; L1290-W1305 HydrophobicContact CG-CH2 4.38Å; L1290-W1305 HydrophobicContact CG-CZ3 3.75Å; L1290-W1306 HydrophobicContact CB-CE3 4.26Å; L1290-W1306 HydrophobicContact CB-CZ3 3.92Å; L1290-W1306 HydrophobicContact CD2-CE3 4.07Å; L1290-W1306 HydrophobicContact CD2-CZ3 4Å; L1290-W1306 HydrophobicContact CG-CE3 3.66Å; L1290-W1306 HydrophobicContact CG-CZ3 3.76Å; L1290-K1309 HydrophobicContact CD2-CD 3.92Å; L1290-K1309 VanDerWaalsContact CD2-NZ 3.33Å |
| 1291 | E | 80.8 | Confident | 79 | Confident | 58 Ų | 58 | 72.9 Ų | 72.9 | 27% | 0.271 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58 | -48 | 168.3 | -167.1 | 164.1 | -169.1 | 0 | 0 | 111.4 | S1287 K1288 F1293 V1294 N1295 W1306 | S1287-E1291 PolarHBondContact O-N 3.37Å; S1287-E1291 VanDerWaalsContact O-N 3.08Å; K1288-E1291 PolarHBondContact O-N 2.99Å; E1291-F1293 PolarHBondContact O-N 3.23Å; E1291-V1294 PolarHBondContact O-N 3.44Å; E1291-N1295 PolarHBondContact O-N 2.98Å; E1291-N1295 VanDerWaalsContact O-N 3.16Å; E1291-N1295 PolarHBondContact O-ND2 3.02Å; E1291-W1306 HydrophobicContact CB-CH2 3.69Å; E1291-W1306 HydrophobicContact CB-CZ2 3.35Å; E1291-W1306 HydrophobicContact CG-CH2 4.31Å; E1291-W1306 HydrophobicContact CG-CZ2 3.49Å; E1291-W1306 VanDerWaalsContact CG-CZ2 3.49Å |
| 1292 | S | 82.5 | Confident | 79.1 | Confident | 49 Ų | 49 | 67.6 Ų | 67.6 | 34% | 0.343 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 175.9 | 46.9 | 0 | 0 | 0 | 0 | 112.9 | K1288 L1289 V1294 N1295 Q1296 | K1288-S1292 PolarHBondContact O-N 2.84Å; K1288-S1292 VanDerWaalsContact O-N 3.14Å; K1288-S1292 PolarHBondContact O-OG 2.95Å; L1289-S1292 VanDerWaalsContact C-OG 3.3Å; L1289-S1292 WeakPolarHBondContact CA-OG 3.14Å; L1289-S1292 PolarHBondContact O-N 3.1Å; L1289-S1292 PolarHBondContact O-OG 3.07Å; S1292-V1294 VanDerWaalsContact C-N 3.34Å; S1292-V1294 PolarHBondContact O-N 3.31Å; S1292-N1295 PolarHBondContact O-N 3.12Å; S1292-Q1296 WeakPolarHBondContact O-CB 3.38Å; S1292-Q1296 WeakPolarHBondContact O-CG 3.3Å; S1292-Q1296 PolarHBondContact O-N 2.86Å |
| 1293 | F | 82.1 | Confident | 79.3 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 177.9 | 173.5 | -111.8 | 0 | 0 | 0 | 112.2 | I1266 I1270 V1279 L1283 L1289 L1290 E1291 Q1296 Q1297 I1302 | I1266-F1293 HydrophobicContact CB-CD2 4.35Å; I1266-F1293 HydrophobicContact CB-CE2 4Å; I1266-F1293 HydrophobicContact CB-CZ 4.5Å; I1266-F1293 HydrophobicContact CD1-CB 4.02Å; I1266-F1293 HydrophobicContact CD1-CD1 4.21Å; I1266-F1293 HydrophobicContact CD1-CD2 3.41Å; I1266-F1293 VanDerWaalsContact CD1-CD2 3.41Å; I1266-F1293 HydrophobicContact CD1-CE2 3.87Å; I1266-F1293 HydrophobicContact CD1-CG 3.58Å; I1266-F1293 HydrophobicContact CD1-CZ 4.42Å; I1266-F1293 HydrophobicContact CG1-CD1 4.39Å; I1266-F1293 HydrophobicContact CG1-CD2 3.71Å; I1266-F1293 HydrophobicContact CG1-CE1 4.28Å; I1266-F1293 HydrophobicContact CG1-CE2 3.59Å; I1266-F1293 HydrophobicContact CG1-CG 4.1Å; I1266-F1293 HydrophobicContact CG1-CZ 3.87Å; I1266-F1293 HydrophobicContact CG2-CD2 3.7Å; I1266-F1293 HydrophobicContact CG2-CE2 3.3Å; I1266-F1293 HydrophobicContact CG2-CZ 4.16Å; I1270-F1293 HydrophobicContact CD1-CE2 3.74Å; I1270-F1293 HydrophobicContact CD1-CZ 3.92Å; I1270-F1293 HydrophobicContact CG1-CZ 4.19Å; V1279-F1293 HydrophobicContact CB-CE1 3.98Å; V1279-F1293 HydrophobicContact CB-CZ 4.39Å; V1279-F1293 HydrophobicContact CG1-CD1 3.62Å; V1279-F1293 HydrophobicContact CG1-CE1 3.39Å; V1279-F1293 HydrophobicContact CG1-CG 4.38Å; V1279-F1293 HydrophobicContact CG1-CZ 3.99Å; V1279-F1293 HydrophobicContact CG2-CE1 4.32Å; V1279-F1293 HydrophobicContact CG2-CZ 4.23Å; L1283-F1293 HydrophobicContact CD1-CB 4.41Å; L1289-F1293 WeakPolarHBondContact O-CB 3.46Å; L1289-F1293 PolarHBondContact O-N 2.86Å; L1290-F1293 HydrophobicContact CD1-CD1 4.17Å; L1290-F1293 PolarHBondContact O-N 3.41Å; E1291-F1293 PolarHBondContact O-N 3.23Å; F1293-Q1296 PolarHBondContact O-N 3.3Å; F1293-Q1297 HydrophobicContact CD2-CG 3.94Å; F1293-Q1297 HydrophobicContact CE1-CG 4.33Å; F1293-Q1297 HydrophobicContact CE2-CB 4.46Å; F1293-Q1297 HydrophobicContact CE2-CG 3.28Å; F1293-Q1297 HydrophobicContact CZ-CB 4.43Å; F1293-Q1297 HydrophobicContact CZ-CG 3.55Å; F1293-Q1297 PolarHBondContact O-N 3.34Å; F1293-I1302 HydrophobicContact CD1-CG2 3.88Å; F1293-I1302 HydrophobicContact CE1-CB 4.48Å; F1293-I1302 HydrophobicContact CE1-CD1 3.63Å; F1293-I1302 HydrophobicContact CE1-CG1 4.08Å; F1293-I1302 HydrophobicContact CE1-CG2 3.59Å; F1293-I1302 HydrophobicContact CZ-CD1 3.58Å; F1293-I1302 HydrophobicContact CZ-CG1 4.49Å |
| 1294 | V | 83 | Confident | 79.5 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.8 | -34 | -178 | 174.5 | 0 | 0 | 0 | 0 | 112.2 | L1290 E1291 S1292 Q1296 Q1297 I1302 K1303 W1306 Y1322 | L1290-V1294 HydrophobicContact CD1-CG2 4.29Å; L1290-V1294 WeakPolarHBondContact O-CB 3.07Å; L1290-V1294 WeakPolarHBondContact O-CG2 3.48Å; L1290-V1294 PolarHBondContact O-N 3.13Å; E1291-V1294 PolarHBondContact O-N 3.44Å; S1292-V1294 VanDerWaalsContact C-N 3.34Å; S1292-V1294 PolarHBondContact O-N 3.31Å; V1294-Q1296 VanDerWaalsContact C-N 3.34Å; V1294-Q1297 VanDerWaalsContact O-O 3.07Å; V1294-I1302 HydrophobicContact CB-CG2 4.03Å; V1294-I1302 HydrophobicContact CG1-CG2 4.18Å; V1294-I1302 HydrophobicContact CG2-CG2 3.48Å; V1294-I1302 VanDerWaalsContact CG2-CG2 3.48Å; V1294-K1303 HydrophobicContact CG1-CB 4.23Å; V1294-K1303 HydrophobicContact CG1-CG 3.78Å; V1294-W1306 HydrophobicContact CB-CB 3.97Å; V1294-W1306 HydrophobicContact CB-CG 3.89Å; V1294-W1306 HydrophobicContact CG1-CB 3.66Å; V1294-W1306 HydrophobicContact CG1-CG 3.79Å; V1294-W1306 HydrophobicContact CG2-CB 3.32Å; V1294-W1306 HydrophobicContact CG2-CD2 4.09Å; V1294-W1306 HydrophobicContact CG2-CG 3.54Å; V1294-Y1322 HydrophobicContact CG1-CD1 3.64Å; V1294-Y1322 HydrophobicContact CG1-CE1 3.88Å |
| 1295 | N | 82.8 | Confident | 79.8 | Confident | 102 Ų | 102 | 65 Ų | 65 | 55% | 0.545 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -71.4 | -30 | 172.6 | -76.5 | -71.6 | 0 | 0 | 0 | 112.6 | E1291 S1292 Y1322 | E1291-N1295 PolarHBondContact O-N 2.98Å; E1291-N1295 VanDerWaalsContact O-N 3.16Å; E1291-N1295 PolarHBondContact O-ND2 3.02Å; S1292-N1295 PolarHBondContact O-N 3.12Å; N1295-Y1322 PolarHBondContact ND2-OH 3.16Å; N1295-Y1322 WeakPolarHBondContact OD1-CE1 3.17Å |
| 1296 | Q | 78.2 | Confident | 80.3 | Confident | 141 Ų | 141 | 57.4 Ų | 57.4 | 66% | 0.659 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -78 | -39.6 | 179 | -74.3 | 164.8 | -9.9 | 0 | 0 | 112.3 | S1292 F1293 V1294 | S1292-Q1296 WeakPolarHBondContact O-CB 3.38Å; S1292-Q1296 WeakPolarHBondContact O-CG 3.3Å; S1292-Q1296 PolarHBondContact O-N 2.86Å; F1293-Q1296 PolarHBondContact O-N 3.3Å; V1294-Q1296 VanDerWaalsContact C-N 3.34Å |
| 1297 | Q | 75.1 | Confident | 80.9 | Confident | 53 Ų | 53 | 54 Ų | 54 | 25% | 0.248 | 27% | 0.271 | C | S | . | . | trans | -85.4 | 128.7 | 179.2 | -68.3 | -54.9 | -34.6 | 0 | 0 | 112.1 | I1270 F1293 V1294 D1299 I1302 K1303 | I1270-Q1297 HydrophobicContact CD1-CG 3.76Å; I1270-Q1297 VanDerWaalsContact CD1-NE2 3.27Å; I1270-Q1297 HydrophobicContact CG1-CG 4.46Å; F1293-Q1297 HydrophobicContact CD2-CG 3.94Å; F1293-Q1297 HydrophobicContact CE1-CG 4.33Å; F1293-Q1297 HydrophobicContact CE2-CB 4.46Å; F1293-Q1297 HydrophobicContact CE2-CG 3.28Å; F1293-Q1297 HydrophobicContact CZ-CB 4.43Å; F1293-Q1297 HydrophobicContact CZ-CG 3.55Å; F1293-Q1297 PolarHBondContact O-N 3.34Å; V1294-Q1297 VanDerWaalsContact O-O 3.07Å; Q1297-D1299 PolarHBondContact O-N 3.17Å; Q1297-I1302 HydrophobicContact CB-CD1 3.52Å; Q1297-I1302 HydrophobicContact CG-CD1 3.8Å; Q1297-K1303 WeakPolarHBondContact O-CE 3.34Å | ||
| 1298 | N | 73.6 | Confident | 81.4 | Confident | 134 Ų | 134 | 56.2 Ų | 56.2 | 72% | 0.717 | 28% | 0.276 | S | S | * | . | trans | -77 | -5.4 | 175.4 | -95.9 | -44 | 0 | 0 | 0 | 114.1 | K1303 | N1298-K1303 PolarHBondContact O-NZ 2.87Å; N1298-K1303 PolarHBondContact OD1-NZ 3.27Å | ||
| 1299 | D | 78.4 | Confident | 81.6 | Confident | 59 Ų | 59 | 49 Ų | 49 | 32% | 0.316 | 25% | 0.245 | S | C | . | . | trans | -66.1 | 133.7 | -170.9 | -124.8 | -48.2 | 0 | 0 | 0 | 113.9 | H1275 Q1297 N1301 I1302 K1303 | H1275-D1299 IonicContact CE1-OD1 3.21Å; H1275-D1299 IonicContact CE1-OD2 2.69Å; H1275-D1299 PolarHBondContact CE1-OD2 2.91Å; H1275-D1299 IonicContact ND1-OD2 2.77Å; H1275-D1299 IonicContact NE2-OD1 3.17Å; H1275-D1299 IonicContact NE2-OD2 2.8Å; H1275-D1299 PolarHBondContact NE2-OD2 3.04Å; Q1297-D1299 PolarHBondContact O-N 3.17Å; D1299-N1301 PolarHBondContact O-N 3.44Å; D1299-I1302 HydrophobicContact CB-CD1 3.68Å; D1299-I1302 HydrophobicContact CB-CG1 4.05Å; D1299-I1302 PolarHBondContact O-N 2.79Å; D1299-K1303 PolarHBondContact O-N 2.67Å | ||
| 1300 | Q | 81.1 | Confident | 82.1 | Confident | 93 Ų | 93 | 46 Ų | 46 | 44% | 0.435 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.4 | -46.7 | -170.4 | -78.4 | 173.6 | 44.5 | 0 | 0 | 110.6 | I1302 K1303 S1304 S1326 K1327 | Q1300-I1302 VanDerWaalsContact C-N 3.29Å; Q1300-I1302 PolarHBondContact O-N 2.75Å; Q1300-K1303 PolarHBondContact O-N 3.45Å; Q1300-S1304 WeakPolarHBondContact O-CB 3.46Å; Q1300-S1304 PolarHBondContact O-N 2.65Å; Q1300-S1326 WeakPolarHBondContact CA-O 3.17Å; Q1300-S1326 WeakPolarHBondContact CB-O 3.29Å; Q1300-S1326 VanDerWaalsContact CG-O 3.25Å; Q1300-S1326 WeakPolarHBondContact CG-O 3.19Å; Q1300-S1326 VanDerWaalsContact O-CB 3.27Å; Q1300-S1326 WeakPolarHBondContact O-CB 3.06Å; Q1300-K1327 HydrophobicContact CG-CB 4.41Å; Q1300-K1327 HydrophobicContact CG-CG 4.34Å |
| 1301 | N | 81.6 | Confident | 82.5 | Confident | 83 Ų | 83 | 47.7 Ų | 47.7 | 44% | 0.444 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.2 | -27.8 | -177.8 | -60.9 | -40.2 | 0 | 0 | 0 | 113.6 | C1276 D1299 S1304 W1305 | C1276-N1301 HydrophobicContact CB-CB 3.61Å; C1276-N1301 WeakPolarHBondContact SG-CB 3.29Å; C1276-N1301 PolarHBondContact SG-ND2 2.99Å; D1299-N1301 PolarHBondContact O-N 3.44Å; N1301-S1304 WeakPolarHBondContact O-CB 3.11Å; N1301-W1305 PolarHBondContact O-N 3.19Å |
| 1302 | I | 82.5 | Confident | 82.7 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.3 | -50.7 | 177.5 | -63.1 | 171.7 | 0 | 0 | 0 | 110.4 | H1275 F1293 V1294 Q1297 D1299 Q1300 S1304 W1305 W1306 | H1275-I1302 HydrophobicContact CB-CD1 4.16Å; H1275-I1302 HydrophobicContact CB-CG1 4.4Å; H1275-I1302 VanDerWaalsContact CD2-CD1 3.45Å; H1275-I1302 WeakPolarHBondContact CD2-CD1 3.46Å; H1275-I1302 WeakPolarHBondContact CD2-CG1 3.46Å; F1293-I1302 HydrophobicContact CD1-CG2 3.88Å; F1293-I1302 HydrophobicContact CE1-CB 4.48Å; F1293-I1302 HydrophobicContact CE1-CD1 3.63Å; F1293-I1302 HydrophobicContact CE1-CG1 4.08Å; F1293-I1302 HydrophobicContact CE1-CG2 3.59Å; F1293-I1302 HydrophobicContact CZ-CD1 3.58Å; F1293-I1302 HydrophobicContact CZ-CG1 4.49Å; V1294-I1302 HydrophobicContact CB-CG2 4.03Å; V1294-I1302 HydrophobicContact CG1-CG2 4.18Å; V1294-I1302 HydrophobicContact CG2-CG2 3.48Å; V1294-I1302 VanDerWaalsContact CG2-CG2 3.48Å; Q1297-I1302 HydrophobicContact CB-CD1 3.52Å; Q1297-I1302 HydrophobicContact CG-CD1 3.8Å; D1299-I1302 HydrophobicContact CB-CD1 3.68Å; D1299-I1302 HydrophobicContact CB-CG1 4.05Å; D1299-I1302 PolarHBondContact O-N 2.79Å; Q1300-I1302 VanDerWaalsContact C-N 3.29Å; Q1300-I1302 PolarHBondContact O-N 2.75Å; I1302-S1304 VanDerWaalsContact C-N 3.27Å; I1302-S1304 PolarHBondContact O-N 3.04Å; I1302-W1305 PolarHBondContact O-N 3.31Å; I1302-W1306 PolarHBondContact O-N 3.27Å |
| 1303 | K | 83.7 | Confident | 82.8 | Confident | 20 Ų | 20 | 50.7 Ų | 50.7 | 9% | 0.087 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 178.3 | -66.7 | 167.8 | 176.3 | 166.3 | 0 | 111 | V1294 Q1297 N1298 D1299 Q1300 W1306 A1307 S1325 S1326 | V1294-K1303 HydrophobicContact CG1-CB 4.23Å; V1294-K1303 HydrophobicContact CG1-CG 3.78Å; Q1297-K1303 WeakPolarHBondContact O-CE 3.34Å; N1298-K1303 PolarHBondContact O-NZ 2.87Å; N1298-K1303 PolarHBondContact OD1-NZ 3.27Å; D1299-K1303 PolarHBondContact O-N 2.67Å; Q1300-K1303 PolarHBondContact O-N 3.45Å; K1303-W1306 PolarHBondContact O-N 3.33Å; K1303-A1307 VanDerWaalsContact O-CB 3.24Å; K1303-A1307 WeakPolarHBondContact O-CB 3.29Å; K1303-A1307 PolarHBondContact O-N 2.66Å; K1303-S1325 WeakPolarHBondContact CD-O 3.14Å; K1303-S1326 VanDerWaalsContact CB-CB 3.44Å |
| 1304 | S | 85.8 | Confident | 82.9 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.5 | -52.7 | 171 | 162.8 | 0 | 0 | 0 | 0 | 111.6 | Q1300 N1301 I1302 A1307 K1308 Y1323 D1328 | Q1300-S1304 WeakPolarHBondContact O-CB 3.46Å; Q1300-S1304 PolarHBondContact O-N 2.65Å; N1301-S1304 WeakPolarHBondContact O-CB 3.11Å; I1302-S1304 VanDerWaalsContact C-N 3.27Å; I1302-S1304 PolarHBondContact O-N 3.04Å; S1304-A1307 PolarHBondContact O-N 3.01Å; S1304-K1308 WeakPolarHBondContact O-CG 3.2Å; S1304-K1308 PolarHBondContact O-N 3.39Å; S1304-K1308 PolarHBondContact OG-NZ 3.11Å; S1304-Y1323 VanDerWaalsContact O-CE1 3.29Å; S1304-Y1323 WeakPolarHBondContact O-CE1 3.16Å; S1304-D1328 PolarHBondContact OG-OD2 3.11Å |
| 1305 | W | 84.1 | Confident | 83.1 | Confident | 60 Ų | 60 | 58 Ų | 58 | 23% | 0.227 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.5 | -38.5 | -178.4 | -179.7 | 91.7 | 0 | 0 | 0 | 112.7 | P1280 L1290 N1301 I1302 K1308 K1309 | P1280-W1305 HydrophobicContact CB-CD2 3.37Å; P1280-W1305 HydrophobicContact CB-CE3 3.85Å; P1280-W1305 HydrophobicContact CB-CG 3.65Å; P1280-W1305 HydrophobicContact CB-CH2 4.21Å; P1280-W1305 HydrophobicContact CB-CZ2 3.81Å; P1280-W1305 HydrophobicContact CB-CZ3 4.26Å; P1280-W1305 HydrophobicContact CG-CB 3.89Å; P1280-W1305 HydrophobicContact CG-CD2 3.43Å; P1280-W1305 VanDerWaalsContact CG-CD2 3.43Å; P1280-W1305 HydrophobicContact CG-CE3 3.68Å; P1280-W1305 HydrophobicContact CG-CG 3.46Å; P1280-W1305 VanDerWaalsContact CG-CG 3.46Å; P1280-W1305 HydrophobicContact CG-CZ3 4.4Å; P1280-W1305 WeakPolarHBondContact O-CH2 3.29Å; P1280-W1305 WeakPolarHBondContact O-CZ2 3.37Å; L1290-W1305 HydrophobicContact CD1-CZ3 3.87Å; L1290-W1305 HydrophobicContact CD2-CH2 3.37Å; L1290-W1305 HydrophobicContact CD2-CZ3 3.23Å; L1290-W1305 HydrophobicContact CG-CH2 4.38Å; L1290-W1305 HydrophobicContact CG-CZ3 3.75Å; N1301-W1305 PolarHBondContact O-N 3.19Å; I1302-W1305 PolarHBondContact O-N 3.31Å; W1305-K1308 CarbonylContact O-C 3.56Å; W1305-K1308 WeakPolarHBondContact O-CA 3.31Å; W1305-K1308 VanDerWaalsContact O-CB 3.28Å; W1305-K1308 WeakPolarHBondContact O-CB 3.45Å; W1305-K1308 PolarHBondContact O-N 3.03Å; W1305-K1308 VanDerWaalsContact O-N 3.11Å; W1305-K1309 HydrophobicContact CH2-CB 4.03Å; W1305-K1309 HydrophobicContact CH2-CD 3.39Å; W1305-K1309 HydrophobicContact CH2-CG 4.33Å; W1305-K1309 HydrophobicContact CZ2-CB 4.36Å; W1305-K1309 HydrophobicContact CZ2-CD 4.2Å; W1305-K1309 HydrophobicContact CZ3-CB 4.1Å; W1305-K1309 HydrophobicContact CZ3-CD 3.85Å; W1305-K1309 PolarHBondContact O-N 3.19Å |
| 1306 | W | 85.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.1 | -36.6 | 178.9 | 173.7 | -112.3 | 0 | 0 | 0 | 112.7 | S1287 L1290 E1291 V1294 I1302 K1303 K1308 K1309 L1310 Y1322 | S1287-W1306 WeakPolarHBondContact O-CH2 3.22Å; S1287-W1306 WeakPolarHBondContact OG-CH2 3.01Å; L1290-W1306 HydrophobicContact CB-CE3 4.26Å; L1290-W1306 HydrophobicContact CB-CZ3 3.92Å; L1290-W1306 HydrophobicContact CD2-CE3 4.07Å; L1290-W1306 HydrophobicContact CD2-CZ3 4Å; L1290-W1306 HydrophobicContact CG-CE3 3.66Å; L1290-W1306 HydrophobicContact CG-CZ3 3.76Å; E1291-W1306 HydrophobicContact CB-CH2 3.69Å; E1291-W1306 HydrophobicContact CB-CZ2 3.35Å; E1291-W1306 HydrophobicContact CG-CH2 4.31Å; E1291-W1306 HydrophobicContact CG-CZ2 3.49Å; E1291-W1306 VanDerWaalsContact CG-CZ2 3.49Å; V1294-W1306 HydrophobicContact CB-CB 3.97Å; V1294-W1306 HydrophobicContact CB-CG 3.89Å; V1294-W1306 HydrophobicContact CG1-CB 3.66Å; V1294-W1306 HydrophobicContact CG1-CG 3.79Å; V1294-W1306 HydrophobicContact CG2-CB 3.32Å; V1294-W1306 HydrophobicContact CG2-CD2 4.09Å; V1294-W1306 HydrophobicContact CG2-CG 3.54Å; I1302-W1306 PolarHBondContact O-N 3.27Å; K1303-W1306 PolarHBondContact O-N 3.33Å; W1306-K1308 VanDerWaalsContact C-N 3.28Å; W1306-K1308 PolarHBondContact O-N 3.32Å; W1306-K1309 HydrophobicContact CE3-CB 4.18Å; W1306-K1309 HydrophobicContact CE3-CD 3.95Å; W1306-K1309 HydrophobicContact CE3-CG 4.22Å; W1306-K1309 HydrophobicContact CZ3-CD 3.71Å; W1306-K1309 HydrophobicContact CZ3-CG 4.1Å; W1306-K1309 CarbonylContact O-C 3.5Å; W1306-K1309 WeakPolarHBondContact O-CA 3.21Å; W1306-K1309 WeakPolarHBondContact O-CB 3.35Å; W1306-K1309 PolarHBondContact O-N 3.39Å; W1306-L1310 HydrophobicContact CD2-CG 4.33Å; W1306-L1310 HydrophobicContact CG-CD1 4.43Å; W1306-L1310 HydrophobicContact CH2-CD2 4.49Å; W1306-L1310 HydrophobicContact CZ2-CD1 4.3Å; W1306-L1310 HydrophobicContact CZ2-CD2 3.78Å; W1306-L1310 HydrophobicContact CZ2-CG 3.97Å; W1306-L1310 VanDerWaalsContact NE1-CD1 3.27Å; W1306-L1310 PolarHBondContact O-N 2.75Å; W1306-Y1322 AromaticContact CD1-CD1 3.55Å; W1306-Y1322 AromaticContact CD1-CD2 3.59Å; W1306-Y1322 AromaticContact CD1-CE1 3.63Å; W1306-Y1322 AromaticContact CD1-CE2 3.72Å; W1306-Y1322 AromaticContact CD1-CG 3.5Å; W1306-Y1322 AromaticContact CD1-CZ 3.71Å; W1306-Y1322 AromaticContact NE1-CD2 3.67Å; W1306-Y1322 AromaticContact NE1-CE1 3.73Å; W1306-Y1322 AromaticContact NE1-CE2 3.33Å; W1306-Y1322 VanDerWaalsContact NE1-CE2 3.33Å; W1306-Y1322 AromaticContact NE1-CZ 3.33Å; W1306-Y1322 VanDerWaalsContact NE1-CZ 3.33Å |
| 1307 | A | 86.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.7 | -36.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K1303 S1304 K1309 L1310 E1311 A1319 Y1323 | K1303-A1307 VanDerWaalsContact O-CB 3.24Å; K1303-A1307 WeakPolarHBondContact O-CB 3.29Å; K1303-A1307 PolarHBondContact O-N 2.66Å; S1304-A1307 PolarHBondContact O-N 3.01Å; A1307-K1309 VanDerWaalsContact C-N 3.3Å; A1307-K1309 PolarHBondContact O-N 3Å; A1307-L1310 PolarHBondContact O-N 2.72Å; A1307-E1311 VanDerWaalsContact O-CB 3.22Å; A1307-E1311 WeakPolarHBondContact O-CB 3.13Å; A1307-E1311 PolarHBondContact O-N 3.12Å; A1307-A1319 HydrophobicContact CB-CB 4.33Å; A1307-Y1323 VanDerWaalsContact C-CZ 3.42Å; A1307-Y1323 HydrophobicContact CB-CD1 3.23Å; A1307-Y1323 HydrophobicContact CB-CD2 3.5Å; A1307-Y1323 HydrophobicContact CB-CE1 3.29Å; A1307-Y1323 HydrophobicContact CB-CE2 3.57Å; A1307-Y1323 HydrophobicContact CB-CG 3.32Å; A1307-Y1323 VanDerWaalsContact CB-CZ 3.49Å |
| 1308 | K | 86.5 | Confident | 84.2 | Confident | 79 Ų | 79 | 54.5 Ų | 54.5 | 34% | 0.343 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61 | -35.8 | 168.8 | -67.8 | 163.2 | -176.2 | 150.2 | 0 | 112.3 | S1304 W1305 W1306 A1312 Y1323 D1328 | S1304-K1308 WeakPolarHBondContact O-CG 3.2Å; S1304-K1308 PolarHBondContact O-N 3.39Å; S1304-K1308 PolarHBondContact OG-NZ 3.11Å; W1305-K1308 CarbonylContact O-C 3.56Å; W1305-K1308 WeakPolarHBondContact O-CA 3.31Å; W1305-K1308 VanDerWaalsContact O-CB 3.28Å; W1305-K1308 WeakPolarHBondContact O-CB 3.45Å; W1305-K1308 PolarHBondContact O-N 3.03Å; W1305-K1308 VanDerWaalsContact O-N 3.11Å; W1306-K1308 VanDerWaalsContact C-N 3.28Å; W1306-K1308 PolarHBondContact O-N 3.32Å; K1308-A1312 WeakPolarHBondContact O-CB 3.27Å; K1308-A1312 PolarHBondContact O-N 3.06Å; K1308-Y1323 WeakPolarHBondContact CA-OH 3.35Å; K1308-Y1323 HydrophobicContact CG-CE1 3.93Å; K1308-Y1323 WeakPolarHBondContact CG-OH 3.49Å; K1308-Y1323 PolarHBondContact N-OH 3.27Å; K1308-D1328 VanDerWaalsContact CE-OD2 3.24Å; K1308-D1328 WeakPolarHBondContact CE-OD2 3.36Å; K1308-D1328 IonicContact NZ-OD2 3.89Å; K1308-D1328 PolarHBondContact NZ-OD2 2.93Å |
| 1309 | K | 83.9 | Confident | 84.9 | Confident | 21 Ų | 21 | 48.1 Ų | 48.1 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.9 | -37.1 | 174.6 | 178 | 163.5 | 166.9 | 173.9 | 0 | 113.4 | Q1284 S1287 L1290 W1305 W1306 A1307 A1312 Q1313 | Q1284-K1309 PolarHBondContact O-NZ 3.43Å; S1287-K1309 WeakPolarHBondContact OG-CE 3.35Å; L1290-K1309 HydrophobicContact CD2-CD 3.92Å; L1290-K1309 VanDerWaalsContact CD2-NZ 3.33Å; W1305-K1309 HydrophobicContact CH2-CB 4.03Å; W1305-K1309 HydrophobicContact CH2-CD 3.39Å; W1305-K1309 HydrophobicContact CH2-CG 4.33Å; W1305-K1309 HydrophobicContact CZ2-CB 4.36Å; W1305-K1309 HydrophobicContact CZ2-CD 4.2Å; W1305-K1309 HydrophobicContact CZ3-CB 4.1Å; W1305-K1309 HydrophobicContact CZ3-CD 3.85Å; W1305-K1309 PolarHBondContact O-N 3.19Å; W1306-K1309 HydrophobicContact CE3-CB 4.18Å; W1306-K1309 HydrophobicContact CE3-CD 3.95Å; W1306-K1309 HydrophobicContact CE3-CG 4.22Å; W1306-K1309 HydrophobicContact CZ3-CD 3.71Å; W1306-K1309 HydrophobicContact CZ3-CG 4.1Å; W1306-K1309 CarbonylContact O-C 3.5Å; W1306-K1309 WeakPolarHBondContact O-CA 3.21Å; W1306-K1309 WeakPolarHBondContact O-CB 3.35Å; W1306-K1309 PolarHBondContact O-N 3.39Å; A1307-K1309 VanDerWaalsContact C-N 3.3Å; A1307-K1309 PolarHBondContact O-N 3Å; K1309-A1312 CarbonylContact O-C 3.55Å; K1309-A1312 PolarHBondContact O-N 2.73Å; K1309-Q1313 WeakPolarHBondContact O-CG 3.48Å; K1309-Q1313 PolarHBondContact O-N 3.2Å |
| 1310 | L | 86.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.6 | -41.8 | 175.2 | -75.7 | 170.9 | 0 | 0 | 0 | 111.7 | W1306 A1307 A1312 Q1313 G1314 R1315 E1318 A1319 Y1322 | W1306-L1310 HydrophobicContact CD2-CG 4.33Å; W1306-L1310 HydrophobicContact CG-CD1 4.43Å; W1306-L1310 HydrophobicContact CH2-CD2 4.49Å; W1306-L1310 HydrophobicContact CZ2-CD1 4.3Å; W1306-L1310 HydrophobicContact CZ2-CD2 3.78Å; W1306-L1310 HydrophobicContact CZ2-CG 3.97Å; W1306-L1310 VanDerWaalsContact NE1-CD1 3.27Å; W1306-L1310 PolarHBondContact O-N 2.75Å; A1307-L1310 PolarHBondContact O-N 2.72Å; L1310-A1312 VanDerWaalsContact C-N 3.33Å; L1310-A1312 PolarHBondContact O-N 2.84Å; L1310-Q1313 CarbonylContact O-C 3.6Å; L1310-Q1313 WeakPolarHBondContact O-CA 3.19Å; L1310-Q1313 WeakPolarHBondContact O-CB 3.03Å; L1310-Q1313 PolarHBondContact O-N 3.29Å; L1310-G1314 PolarHBondContact O-N 2.77Å; L1310-G1314 VanDerWaalsContact O-N 3.12Å; L1310-R1315 HydrophobicContact CB-CB 4.36Å; L1310-R1315 HydrophobicContact CD2-CB 4.17Å; L1310-R1315 PolarHBondContact O-N 2.98Å; L1310-E1318 HydrophobicContact CD1-CB 3.81Å; L1310-E1318 HydrophobicContact CD2-CB 4.22Å; L1310-E1318 WeakPolarHBondContact CD2-OE2 3.48Å; L1310-A1319 HydrophobicContact CB-CB 3.85Å; L1310-Y1322 HydrophobicContact CD1-CD2 3.22Å; L1310-Y1322 HydrophobicContact CD1-CE2 3.41Å; L1310-Y1322 VanDerWaalsContact CD1-CE2 3.41Å; L1310-Y1322 HydrophobicContact CD1-CG 4.25Å |
| 1311 | E | 87.5 | Confident | 85.7 | Confident | 35 Ų | 35 | 48.2 Ų | 48.2 | 16% | 0.164 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 170.3 | -174.8 | -178.7 | -167.1 | 0 | 0 | 111.2 | A1307 Q1313 G1314 L1316 A1319 Y1323 R1334 V1335 | A1307-E1311 VanDerWaalsContact O-CB 3.22Å; A1307-E1311 WeakPolarHBondContact O-CB 3.13Å; A1307-E1311 PolarHBondContact O-N 3.12Å; E1311-Q1313 PolarHBondContact O-N 3.27Å; E1311-G1314 WeakPolarHBondContact O-CA 3.37Å; E1311-G1314 PolarHBondContact O-N 3.47Å; E1311-L1316 HydrophobicContact CG-CD2 3.95Å; E1311-A1319 HydrophobicContact CB-CB 4.34Å; E1311-Y1323 PolarHBondContact OE2-OH 3.39Å; E1311-R1334 IonicContact OE1-CZ 3.37Å; E1311-R1334 VanDerWaalsContact OE1-CZ 3.31Å; E1311-R1334 IonicContact OE1-NE 2.62Å; E1311-R1334 IonicContact OE1-NH1 3.72Å; E1311-R1334 PolarHBondContact OE1-NH1 2.77Å; E1311-R1334 IonicContact OE1-NH2 3.65Å; E1311-R1334 IonicContact OE2-CZ 2.81Å; E1311-R1334 IonicContact OE2-NH1 3.25Å; E1311-R1334 PolarHBondContact OE2-NH1 2.87Å; E1311-R1334 IonicContact OE2-NH2 3.96Å; E1311-R1334 PolarHBondContact OE2-NH2 3.08Å; E1311-V1335 HydrophobicContact CG-CG2 4.24Å |
| 1312 | A | 85.1 | Confident | 86 | Confident | 90 Ų | 90 | 45.2 Ų | 45.2 | 74% | 0.744 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -66.3 | -15.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K1308 K1309 L1310 | K1308-A1312 WeakPolarHBondContact O-CB 3.27Å; K1308-A1312 PolarHBondContact O-N 3.06Å; K1309-A1312 CarbonylContact O-C 3.55Å; K1309-A1312 PolarHBondContact O-N 2.73Å; L1310-A1312 VanDerWaalsContact C-N 3.33Å; L1310-A1312 PolarHBondContact O-N 2.84Å |
| 1313 | Q | 84.3 | Confident | 86.5 | Confident | 81 Ų | 81 | 45.1 Ų | 45.1 | 38% | 0.379 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 3.8 | 169 | -70.3 | 179.3 | 23.1 | 0 | 0 | 112.9 | S1287 K1309 L1310 E1311 R1315 | S1287-Q1313 PolarHBondContact OG-NE2 3.25Å; S1287-Q1313 VanDerWaalsContact OG-NE2 3.09Å; K1309-Q1313 WeakPolarHBondContact O-CG 3.48Å; K1309-Q1313 PolarHBondContact O-N 3.2Å; L1310-Q1313 CarbonylContact O-C 3.6Å; L1310-Q1313 WeakPolarHBondContact O-CA 3.19Å; L1310-Q1313 WeakPolarHBondContact O-CB 3.03Å; L1310-Q1313 PolarHBondContact O-N 3.29Å; E1311-Q1313 PolarHBondContact O-N 3.27Å; Q1313-R1315 HydrophobicContact CB-CG 4.21Å; Q1313-R1315 PolarHBondContact O-N 2.96Å |
| 1314 | G | 84.9 | Confident | 86.7 | Confident | 59 Ų | 59 | 47.3 Ų | 47.3 | 61% | 0.608 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 6.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1310 E1311 L1316 | L1310-G1314 PolarHBondContact O-N 2.77Å; L1310-G1314 VanDerWaalsContact O-N 3.12Å; E1311-G1314 WeakPolarHBondContact O-CA 3.37Å; E1311-G1314 PolarHBondContact O-N 3.47Å; G1314-L1316 VanDerWaalsContact C-N 3.31Å; G1314-L1316 PolarHBondContact O-N 3.01Å; G1314-L1316 VanDerWaalsContact O-N 3.1Å |
| 1315 | R | 86.3 | Confident | 86.6 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | trans | -88.7 | 64.8 | -177.3 | -56.5 | -161.6 | -162.9 | 172.2 | 5.9 | 111.6 | L1310 Q1313 E1317 E1318 A1319 | L1310-R1315 HydrophobicContact CB-CB 4.36Å; L1310-R1315 HydrophobicContact CD2-CB 4.17Å; L1310-R1315 PolarHBondContact O-N 2.98Å; Q1313-R1315 HydrophobicContact CB-CG 4.21Å; Q1313-R1315 PolarHBondContact O-N 2.96Å; R1315-E1317 PolarHBondContact O-N 2.82Å; R1315-E1318 HydrophobicContact CB-CB 4.22Å; R1315-E1318 HydrophobicContact CB-CG 4.47Å; R1315-E1318 WeakPolarHBondContact CD-OE1 3.41Å; R1315-E1318 WeakPolarHBondContact CD-OE2 3.2Å; R1315-E1318 IonicContact CZ-OE2 3.03Å; R1315-E1318 IonicContact NE-OE2 2.71Å; R1315-E1318 IonicContact NH1-OE1 3.27Å; R1315-E1318 PolarHBondContact NH1-OE1 2.97Å; R1315-E1318 IonicContact NH1-OE2 3.94Å; R1315-E1318 PolarHBondContact NH1-OE2 3.2Å; R1315-E1318 PolarHBondContact O-N 2.85Å; R1315-A1319 WeakPolarHBondContact O-CB 3.37Å; R1315-A1319 PolarHBondContact O-N 3.32Å | ||
| 1316 | L | 87 | Confident | 86.6 | Confident | 42 Ų | 42 | 46.6 Ų | 46.6 | 22% | 0.22 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.4 | -42.7 | -174.8 | -63.2 | 179.2 | 0 | 0 | 0 | 113.1 | E1311 G1314 E1318 A1319 K1320 V1335 C1338 L1339 | E1311-L1316 HydrophobicContact CG-CD2 3.95Å; G1314-L1316 VanDerWaalsContact C-N 3.31Å; G1314-L1316 PolarHBondContact O-N 3.01Å; G1314-L1316 VanDerWaalsContact O-N 3.1Å; L1316-E1318 PolarHBondContact O-N 2.98Å; L1316-A1319 CarbonylContact O-C 3.51Å; L1316-A1319 WeakPolarHBondContact O-CB 3.15Å; L1316-A1319 PolarHBondContact O-N 2.88Å; L1316-K1320 PolarHBondContact O-N 3.33Å; L1316-V1335 HydrophobicContact CB-CG1 4.18Å; L1316-V1335 HydrophobicContact CD2-CG2 4.1Å; L1316-V1335 VanDerWaalsContact O-CG1 3.25Å; L1316-V1335 WeakPolarHBondContact O-CG1 3.24Å; L1316-C1338 HydrophobicContact CD1-CB 3.82Å; L1316-C1338 HydrophobicContact CD2-CB 4.47Å; L1316-L1339 HydrophobicContact CB-CD1 4.45Å; L1316-L1339 HydrophobicContact CB-CD2 3.65Å; L1316-L1339 HydrophobicContact CB-CG 4.05Å; L1316-L1339 HydrophobicContact CD1-CD2 4.15Å |
| 1317 | E | 86.9 | Confident | 86.6 | Confident | 114 Ų | 114 | 51.9 Ų | 51.9 | 53% | 0.533 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 178.8 | -63.1 | -66.7 | 178.6 | 0 | 0 | 113.1 | R1315 K1320 L1339 | R1315-E1317 PolarHBondContact O-N 2.82Å; E1317-K1320 WeakPolarHBondContact O-CB 3.42Å; E1317-L1339 HydrophobicContact CG-CD2 4.32Å; E1317-L1339 WeakPolarHBondContact OE1-CD2 3.23Å |
| 1318 | E | 85.5 | Confident | 86.6 | Confident | 66 Ų | 66 | 53 Ų | 53 | 31% | 0.308 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 173.5 | -65.2 | 173.6 | -156.9 | 0 | 0 | 109.3 | L1310 R1315 L1316 K1320 I1321 Y1322 | L1310-E1318 HydrophobicContact CD1-CB 3.81Å; L1310-E1318 HydrophobicContact CD2-CB 4.22Å; L1310-E1318 WeakPolarHBondContact CD2-OE2 3.48Å; R1315-E1318 HydrophobicContact CB-CB 4.22Å; R1315-E1318 HydrophobicContact CB-CG 4.47Å; R1315-E1318 WeakPolarHBondContact CD-OE1 3.41Å; R1315-E1318 WeakPolarHBondContact CD-OE2 3.2Å; R1315-E1318 IonicContact CZ-OE2 3.03Å; R1315-E1318 IonicContact NE-OE2 2.71Å; R1315-E1318 IonicContact NH1-OE1 3.27Å; R1315-E1318 PolarHBondContact NH1-OE1 2.97Å; R1315-E1318 IonicContact NH1-OE2 3.94Å; R1315-E1318 PolarHBondContact NH1-OE2 3.2Å; R1315-E1318 PolarHBondContact O-N 2.85Å; L1316-E1318 PolarHBondContact O-N 2.98Å; E1318-K1320 VanDerWaalsContact C-N 3.29Å; E1318-K1320 PolarHBondContact O-N 3.19Å; E1318-I1321 WeakPolarHBondContact O-CB 3.42Å; E1318-I1321 PolarHBondContact O-N 2.63Å; E1318-I1321 VanDerWaalsContact O-N 3.12Å; E1318-Y1322 WeakPolarHBondContact O-CD2 3.4Å; E1318-Y1322 PolarHBondContact O-N 3.07Å |
| 1319 | A | 88.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.3 | -36.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1307 L1310 E1311 R1315 L1316 I1321 Y1322 Y1323 V1335 | A1307-A1319 HydrophobicContact CB-CB 4.33Å; L1310-A1319 HydrophobicContact CB-CB 3.85Å; E1311-A1319 HydrophobicContact CB-CB 4.34Å; R1315-A1319 WeakPolarHBondContact O-CB 3.37Å; R1315-A1319 PolarHBondContact O-N 3.32Å; L1316-A1319 CarbonylContact O-C 3.51Å; L1316-A1319 WeakPolarHBondContact O-CB 3.15Å; L1316-A1319 PolarHBondContact O-N 2.88Å; A1319-I1321 VanDerWaalsContact C-N 3.32Å; A1319-I1321 PolarHBondContact O-N 3.39Å; A1319-Y1322 PolarHBondContact O-N 3.42Å; A1319-Y1323 HydrophobicContact CB-CD2 4.13Å; A1319-Y1323 HydrophobicContact CB-CE2 4.05Å; A1319-Y1323 WeakPolarHBondContact O-CB 2.81Å; A1319-Y1323 VanDerWaalsContact O-CD2 3.22Å; A1319-Y1323 WeakPolarHBondContact O-CD2 2.92Å; A1319-Y1323 PolarHBondContact O-N 2.93Å; A1319-V1335 HydrophobicContact CB-CG2 4.1Å |
| 1320 | K | 89 | Confident | 87 | Confident | 37 Ų | 37 | 53.7 Ų | 53.7 | 16% | 0.161 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54.9 | -44.7 | 174.3 | 176.1 | 178.1 | 172.8 | 165.4 | 0 | 111.8 | L1316 E1317 E1318 S1324 L1332 V1335 L1336 L1339 E1341 E1344 | L1316-K1320 PolarHBondContact O-N 3.33Å; E1317-K1320 WeakPolarHBondContact O-CB 3.42Å; E1318-K1320 VanDerWaalsContact C-N 3.29Å; E1318-K1320 PolarHBondContact O-N 3.19Å; K1320-S1324 VanDerWaalsContact O-CB 3.3Å; K1320-S1324 WeakPolarHBondContact O-CB 3.32Å; K1320-S1324 PolarHBondContact O-N 3.32Å; K1320-L1332 HydrophobicContact CG-CD1 4.07Å; K1320-L1332 VanDerWaalsContact O-CD1 3.31Å; K1320-L1332 WeakPolarHBondContact O-CD1 3.41Å; K1320-V1335 HydrophobicContact CB-CG1 4Å; K1320-L1336 HydrophobicContact CD-CD2 3.74Å; K1320-L1336 HydrophobicContact CG-CD2 4.12Å; K1320-L1339 HydrophobicContact CB-CD1 4.45Å; K1320-L1339 HydrophobicContact CD-CD1 4.03Å; K1320-E1341 IonicContact NZ-OE1 3.27Å; K1320-E1341 PolarHBondContact NZ-OE1 3.38Å; K1320-E1341 IonicContact NZ-OE2 2.8Å; K1320-E1341 PolarHBondContact NZ-OE2 2.94Å; K1320-E1344 WeakPolarHBondContact CE-OE2 3.44Å; K1320-E1344 IonicContact NZ-OE1 3.33Å; K1320-E1344 IonicContact NZ-OE2 2.79Å; K1320-E1344 PolarHBondContact NZ-OE2 3.13Å |
| 1321 | I | 88.1 | Confident | 87.1 | Confident | 117 Ų | 117 | 53.9 Ų | 53.9 | 60% | 0.6 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.5 | -45.9 | -179.8 | -59.3 | 169.5 | 0 | 0 | 0 | 111 | E1318 A1319 S1325 | E1318-I1321 WeakPolarHBondContact O-CB 3.42Å; E1318-I1321 PolarHBondContact O-N 2.63Å; E1318-I1321 VanDerWaalsContact O-N 3.12Å; A1319-I1321 VanDerWaalsContact C-N 3.32Å; A1319-I1321 PolarHBondContact O-N 3.39Å; I1321-S1325 PolarHBondContact O-N 3.1Å; I1321-S1325 PolarHBondContact O-OG 3.2Å |
| 1322 | Y | 87.8 | Confident | 87.3 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.6 | -38.2 | 179.8 | -65.6 | -79.4 | 0 | 0 | 0 | 112 | V1294 N1295 W1306 L1310 E1318 A1319 S1325 S1326 | V1294-Y1322 HydrophobicContact CG1-CD1 3.64Å; V1294-Y1322 HydrophobicContact CG1-CE1 3.88Å; N1295-Y1322 PolarHBondContact ND2-OH 3.16Å; N1295-Y1322 WeakPolarHBondContact OD1-CE1 3.17Å; W1306-Y1322 AromaticContact CD1-CD1 3.55Å; W1306-Y1322 AromaticContact CD1-CD2 3.59Å; W1306-Y1322 AromaticContact CD1-CE1 3.63Å; W1306-Y1322 AromaticContact CD1-CE2 3.72Å; W1306-Y1322 AromaticContact CD1-CG 3.5Å; W1306-Y1322 AromaticContact CD1-CZ 3.71Å; W1306-Y1322 AromaticContact NE1-CD2 3.67Å; W1306-Y1322 AromaticContact NE1-CE1 3.73Å; W1306-Y1322 AromaticContact NE1-CE2 3.33Å; W1306-Y1322 VanDerWaalsContact NE1-CE2 3.33Å; W1306-Y1322 AromaticContact NE1-CZ 3.33Å; W1306-Y1322 VanDerWaalsContact NE1-CZ 3.33Å; L1310-Y1322 HydrophobicContact CD1-CD2 3.22Å; L1310-Y1322 HydrophobicContact CD1-CE2 3.41Å; L1310-Y1322 VanDerWaalsContact CD1-CE2 3.41Å; L1310-Y1322 HydrophobicContact CD1-CG 4.25Å; E1318-Y1322 WeakPolarHBondContact O-CD2 3.4Å; E1318-Y1322 PolarHBondContact O-N 3.07Å; A1319-Y1322 PolarHBondContact O-N 3.42Å; Y1322-S1325 WeakPolarHBondContact CA-OG 3.14Å; Y1322-S1325 CarbonylContact O-C 3.55Å; Y1322-S1325 PolarHBondContact O-N 2.75Å; Y1322-S1325 PolarHBondContact O-OG 3.06Å; Y1322-S1326 WeakPolarHBondContact O-CB 3.26Å; Y1322-S1326 PolarHBondContact O-N 3.16Å; Y1322-S1326 PolarHBondContact O-OG 2.66Å |
| 1323 | Y | 91.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 173.8 | -77 | -50.4 | 0 | 0 | 0 | 112.1 | S1304 A1307 K1308 E1311 A1319 S1326 K1327 D1328 S1331 R1334 V1335 | S1304-Y1323 VanDerWaalsContact O-CE1 3.29Å; S1304-Y1323 WeakPolarHBondContact O-CE1 3.16Å; A1307-Y1323 VanDerWaalsContact C-CZ 3.42Å; A1307-Y1323 HydrophobicContact CB-CD1 3.23Å; A1307-Y1323 HydrophobicContact CB-CD2 3.5Å; A1307-Y1323 HydrophobicContact CB-CE1 3.29Å; A1307-Y1323 HydrophobicContact CB-CE2 3.57Å; A1307-Y1323 HydrophobicContact CB-CG 3.32Å; A1307-Y1323 VanDerWaalsContact CB-CZ 3.49Å; K1308-Y1323 WeakPolarHBondContact CA-OH 3.35Å; K1308-Y1323 HydrophobicContact CG-CE1 3.93Å; K1308-Y1323 WeakPolarHBondContact CG-OH 3.49Å; K1308-Y1323 PolarHBondContact N-OH 3.27Å; E1311-Y1323 PolarHBondContact OE2-OH 3.39Å; A1319-Y1323 HydrophobicContact CB-CD2 4.13Å; A1319-Y1323 HydrophobicContact CB-CE2 4.05Å; A1319-Y1323 WeakPolarHBondContact O-CB 2.81Å; A1319-Y1323 VanDerWaalsContact O-CD2 3.22Å; A1319-Y1323 WeakPolarHBondContact O-CD2 2.92Å; A1319-Y1323 PolarHBondContact O-N 2.93Å; Y1323-S1326 VanDerWaalsContact C-OG 3.3Å; Y1323-S1326 VanDerWaalsContact CA-OG 3.28Å; Y1323-S1326 WeakPolarHBondContact CA-OG 3.3Å; Y1323-S1326 WeakPolarHBondContact O-CB 3.46Å; Y1323-S1326 PolarHBondContact O-N 3.03Å; Y1323-S1326 VanDerWaalsContact O-N 3.13Å; Y1323-S1326 PolarHBondContact O-OG 2.89Å; Y1323-K1327 PolarHBondContact O-N 3.22Å; Y1323-D1328 HydrophobicContact CD1-CB 4.17Å; Y1323-S1331 VanDerWaalsContact CD1-CB 3.46Å; Y1323-S1331 WeakPolarHBondContact CD2-O 3.35Å; Y1323-S1331 WeakPolarHBondContact CE2-O 3.33Å; Y1323-S1331 WeakPolarHBondContact OH-CB 3.4Å; Y1323-R1334 PolarHBondContact OH-NH2 3.11Å; Y1323-R1334 VanDerWaalsContact OH-NH2 3.08Å; Y1323-V1335 HydrophobicContact CD2-CB 4.19Å; Y1323-V1335 HydrophobicContact CD2-CG2 3.64Å; Y1323-V1335 HydrophobicContact CE2-CB 4.39Å; Y1323-V1335 HydrophobicContact CE2-CG2 3.39Å |
| 1324 | S | 87.7 | Confident | 87.8 | Confident | 65 Ų | 65 | 47.4 Ų | 47.4 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.3 | -49.2 | 174.3 | -177.6 | 0 | 0 | 0 | 0 | 112.4 | K1320 S1326 K1327 | K1320-S1324 VanDerWaalsContact O-CB 3.3Å; K1320-S1324 WeakPolarHBondContact O-CB 3.32Å; K1320-S1324 PolarHBondContact O-N 3.32Å; S1324-S1326 PolarHBondContact O-N 3.23Å; S1324-K1327 PolarHBondContact O-N 2.94Å |
| 1325 | S | 85.2 | Confident | 88.1 | Confident | 53 Ų | 53 | 44.6 Ų | 44.6 | 37% | 0.371 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -71.6 | -9.3 | 176.2 | 58.8 | 0 | 0 | 0 | 0 | 114.4 | K1303 I1321 Y1322 | K1303-S1325 WeakPolarHBondContact CD-O 3.14Å; I1321-S1325 PolarHBondContact O-N 3.1Å; I1321-S1325 PolarHBondContact O-OG 3.2Å; Y1322-S1325 WeakPolarHBondContact CA-OG 3.14Å; Y1322-S1325 CarbonylContact O-C 3.55Å; Y1322-S1325 PolarHBondContact O-N 2.75Å; Y1322-S1325 PolarHBondContact O-OG 3.06Å |
| 1326 | S | 83.7 | Confident | 88.2 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -91.8 | -19.6 | 176.8 | 77.5 | 0 | 0 | 0 | 0 | 115.6 | Q1300 K1303 Y1322 Y1323 S1324 D1328 | Q1300-S1326 WeakPolarHBondContact CA-O 3.17Å; Q1300-S1326 WeakPolarHBondContact CB-O 3.29Å; Q1300-S1326 VanDerWaalsContact CG-O 3.25Å; Q1300-S1326 WeakPolarHBondContact CG-O 3.19Å; Q1300-S1326 VanDerWaalsContact O-CB 3.27Å; Q1300-S1326 WeakPolarHBondContact O-CB 3.06Å; K1303-S1326 VanDerWaalsContact CB-CB 3.44Å; Y1322-S1326 WeakPolarHBondContact O-CB 3.26Å; Y1322-S1326 PolarHBondContact O-N 3.16Å; Y1322-S1326 PolarHBondContact O-OG 2.66Å; Y1323-S1326 VanDerWaalsContact C-OG 3.3Å; Y1323-S1326 VanDerWaalsContact CA-OG 3.28Å; Y1323-S1326 WeakPolarHBondContact CA-OG 3.3Å; Y1323-S1326 WeakPolarHBondContact O-CB 3.46Å; Y1323-S1326 PolarHBondContact O-N 3.03Å; Y1323-S1326 VanDerWaalsContact O-N 3.13Å; Y1323-S1326 PolarHBondContact O-OG 2.89Å; S1324-S1326 PolarHBondContact O-N 3.23Å; S1326-D1328 PolarHBondContact O-N 3.19Å; S1326-D1328 VanDerWaalsContact O-N 3.15Å; S1326-D1328 VanDerWaalsContact OG-CB 3.29Å; S1326-D1328 WeakPolarHBondContact OG-CB 3.15Å; S1326-D1328 PolarHBondContact OG-N 2.82Å |
| 1327 | K | 84.9 | Confident | 88.3 | Confident | 111 Ų | 111 | 38.4 Ų | 38.4 | 48% | 0.483 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 11.9 | -165.8 | -51.1 | -160.6 | 178.2 | -169.6 | 0 | 116.1 | Q1300 Y1323 S1324 Y1329 | Q1300-K1327 HydrophobicContact CG-CB 4.41Å; Q1300-K1327 HydrophobicContact CG-CG 4.34Å; Y1323-K1327 PolarHBondContact O-N 3.22Å; S1324-K1327 PolarHBondContact O-N 2.94Å; K1327-Y1329 HydrophobicContact CB-CD2 4.16Å; K1327-Y1329 HydrophobicContact CB-CE1 4.38Å; K1327-Y1329 HydrophobicContact CB-CE2 3.53Å; K1327-Y1329 HydrophobicContact CD-CE2 4.19Å; K1327-Y1329 WeakPolarHBondContact CD-OH 3.49Å; K1327-Y1329 HydrophobicContact CG-CE1 4.5Å; K1327-Y1329 HydrophobicContact CG-CE2 4.03Å; K1327-Y1329 WeakPolarHBondContact CG-OH 3.38Å; K1327-Y1329 WeakPolarHBondContact O-CD2 3.42Å; K1327-Y1329 PolarHBondContact O-N 3.1Å |
| 1328 | D | 86.8 | Confident | 88.3 | Confident | 24 Ų | 24 | 36.9 Ų | 36.9 | 13% | 0.128 | 19% | 0.192 | C | C | . | . | trans | -74.5 | 72.7 | 160.1 | -173.9 | -29.7 | 0 | 0 | 0 | 108.4 | S1304 K1308 Y1323 S1326 L1330 S1331 L1332 | S1304-D1328 PolarHBondContact OG-OD2 3.11Å; K1308-D1328 VanDerWaalsContact CE-OD2 3.24Å; K1308-D1328 WeakPolarHBondContact CE-OD2 3.36Å; K1308-D1328 IonicContact NZ-OD2 3.89Å; K1308-D1328 PolarHBondContact NZ-OD2 2.93Å; Y1323-D1328 HydrophobicContact CD1-CB 4.17Å; S1326-D1328 PolarHBondContact O-N 3.19Å; S1326-D1328 VanDerWaalsContact O-N 3.15Å; S1326-D1328 VanDerWaalsContact OG-CB 3.29Å; S1326-D1328 WeakPolarHBondContact OG-CB 3.15Å; S1326-D1328 PolarHBondContact OG-N 2.82Å; D1328-L1330 VanDerWaalsContact C-N 3.27Å; D1328-L1330 PolarHBondContact O-N 3.08Å; D1328-L1330 WeakPolarHBondContact OD1-CB 3.33Å; D1328-S1331 PolarHBondContact O-N 3.32Å; D1328-S1331 VanDerWaalsContact O-N 3.14Å; D1328-S1331 WeakPolarHBondContact OD1-CB 2.99Å; D1328-S1331 PolarHBondContact OD1-N 3.41Å; D1328-S1331 PolarHBondContact OD1-OG 3.15Å; D1328-S1331 PolarHBondContact OD2-OG 2.82Å; D1328-L1332 PolarHBondContact O-N 3.35Å | ||
| 1329 | Y | 89.8 | Confident | 88.4 | Confident | 47 Ų | 47 | 36.1 Ų | 36.1 | 18% | 0.184 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.6 | -32.3 | -176.4 | -58.1 | -65.3 | 0 | 0 | 0 | 110.7 | K1327 S1331 L1332 V1333 I1348 T1352 D1354 A1357 | K1327-Y1329 HydrophobicContact CB-CD2 4.16Å; K1327-Y1329 HydrophobicContact CB-CE1 4.38Å; K1327-Y1329 HydrophobicContact CB-CE2 3.53Å; K1327-Y1329 HydrophobicContact CD-CE2 4.19Å; K1327-Y1329 WeakPolarHBondContact CD-OH 3.49Å; K1327-Y1329 HydrophobicContact CG-CE1 4.5Å; K1327-Y1329 HydrophobicContact CG-CE2 4.03Å; K1327-Y1329 WeakPolarHBondContact CG-OH 3.38Å; K1327-Y1329 WeakPolarHBondContact O-CD2 3.42Å; K1327-Y1329 PolarHBondContact O-N 3.1Å; Y1329-S1331 VanDerWaalsContact C-N 3.31Å; Y1329-S1331 PolarHBondContact O-N 3.27Å; Y1329-L1332 HydrophobicContact CD1-CD2 4.08Å; Y1329-L1332 PolarHBondContact O-N 2.98Å; Y1329-V1333 VanDerWaalsContact O-CB 3.24Å; Y1329-V1333 WeakPolarHBondContact O-CB 3.2Å; Y1329-V1333 VanDerWaalsContact O-CG2 3.28Å; Y1329-V1333 WeakPolarHBondContact O-CG2 2.76Å; Y1329-V1333 PolarHBondContact O-N 3.1Å; Y1329-I1348 HydrophobicContact CD1-CG2 3.81Å; Y1329-I1348 HydrophobicContact CG-CG2 4.25Å; Y1329-T1352 HydrophobicContact CD1-CG2 3.72Å; Y1329-T1352 HydrophobicContact CD2-CG2 3.87Å; Y1329-T1352 HydrophobicContact CE1-CG2 3.45Å; Y1329-T1352 VanDerWaalsContact CE1-CG2 3.45Å; Y1329-T1352 HydrophobicContact CE2-CG2 3.59Å; Y1329-T1352 HydrophobicContact CG-CG2 3.91Å; Y1329-D1354 HydrophobicContact CD2-CB 3.83Å; Y1329-D1354 HydrophobicContact CG-CB 4.25Å; Y1329-A1357 VanDerWaalsContact C-CB 3.5Å |
| 1330 | L | 88.9 | Confident | 88.2 | Confident | 67 Ų | 67 | 38.3 Ų | 38.3 | 35% | 0.351 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -39.7 | -57 | 162.1 | 168.3 | 56.9 | 0 | 0 | 0 | 113.1 | D1328 R1334 D1354 G1356 A1357 H1360 | D1328-L1330 VanDerWaalsContact C-N 3.27Å; D1328-L1330 PolarHBondContact O-N 3.08Å; D1328-L1330 WeakPolarHBondContact OD1-CB 3.33Å; L1330-R1334 PolarHBondContact O-N 3.09Å; L1330-R1334 VanDerWaalsContact O-N 3.08Å; L1330-D1354 PolarHBondContact N-OD2 2.63Å; L1330-G1356 VanDerWaalsContact CD1-O 3.28Å; L1330-G1356 WeakPolarHBondContact CD1-O 3.4Å; L1330-A1357 VanDerWaalsContact CA-N 3.31Å; L1330-H1360 HydrophobicContact CD1-CB 3.87Å |
| 1331 | S | 89 | Confident | 88.1 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -88.1 | -24.2 | -172.7 | -54.5 | 0 | 0 | 0 | 0 | 112.6 | Y1323 D1328 Y1329 R1334 V1335 | Y1323-S1331 VanDerWaalsContact CD1-CB 3.46Å; Y1323-S1331 WeakPolarHBondContact CD2-O 3.35Å; Y1323-S1331 WeakPolarHBondContact CE2-O 3.33Å; Y1323-S1331 WeakPolarHBondContact OH-CB 3.4Å; D1328-S1331 PolarHBondContact O-N 3.32Å; D1328-S1331 VanDerWaalsContact O-N 3.14Å; D1328-S1331 WeakPolarHBondContact OD1-CB 2.99Å; D1328-S1331 PolarHBondContact OD1-N 3.41Å; D1328-S1331 PolarHBondContact OD1-OG 3.15Å; D1328-S1331 PolarHBondContact OD2-OG 2.82Å; Y1329-S1331 VanDerWaalsContact C-N 3.31Å; Y1329-S1331 PolarHBondContact O-N 3.27Å; S1331-R1334 VanDerWaalsContact CB-NH2 3.35Å; S1331-R1334 PolarHBondContact O-N 2.88Å; S1331-R1334 PolarHBondContact OG-NH2 2.83Å; S1331-R1334 VanDerWaalsContact OG-NH2 3.09Å; S1331-V1335 PolarHBondContact O-N 3.29Å |
| 1332 | L | 91 | Very high | 88 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.3 | -53.7 | 164.5 | -175.6 | 52.8 | 0 | 0 | 0 | 110.6 | K1320 D1328 Y1329 R1334 V1335 L1336 I1348 | K1320-L1332 HydrophobicContact CG-CD1 4.07Å; K1320-L1332 VanDerWaalsContact O-CD1 3.31Å; K1320-L1332 WeakPolarHBondContact O-CD1 3.41Å; D1328-L1332 PolarHBondContact O-N 3.35Å; Y1329-L1332 HydrophobicContact CD1-CD2 4.08Å; Y1329-L1332 PolarHBondContact O-N 2.98Å; L1332-R1334 VanDerWaalsContact C-N 3.28Å; L1332-R1334 PolarHBondContact O-N 3.1Å; L1332-V1335 PolarHBondContact O-N 3.32Å; L1332-V1335 VanDerWaalsContact O-N 3.17Å; L1332-L1336 HydrophobicContact CD1-CD1 4.15Å; L1332-L1336 HydrophobicContact CD1-CG 4.34Å; L1332-L1336 HydrophobicContact CG-CD1 3.89Å; L1332-L1336 HydrophobicContact CG-CG 4.5Å; L1332-L1336 VanDerWaalsContact O-CG 3.28Å; L1332-L1336 WeakPolarHBondContact O-CG 3.46Å; L1332-L1336 PolarHBondContact O-N 3.01Å; L1332-I1348 HydrophobicContact CD2-CD1 3.4Å; L1332-I1348 HydrophobicContact CD2-CG1 4.07Å; L1332-I1348 HydrophobicContact CD2-CG2 4.08Å; L1332-I1348 HydrophobicContact CG-CD1 3.84Å |
| 1333 | V | 90.9 | Very high | 88 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.3 | -42.1 | 175.8 | 160.4 | 0 | 0 | 0 | 0 | 111 | Y1329 V1335 L1336 C1337 A1345 I1348 A1357 H1360 L1361 | Y1329-V1333 VanDerWaalsContact O-CB 3.24Å; Y1329-V1333 WeakPolarHBondContact O-CB 3.2Å; Y1329-V1333 VanDerWaalsContact O-CG2 3.28Å; Y1329-V1333 WeakPolarHBondContact O-CG2 2.76Å; Y1329-V1333 PolarHBondContact O-N 3.1Å; V1333-V1335 PolarHBondContact O-N 2.87Å; V1333-L1336 PolarHBondContact O-N 2.69Å; V1333-C1337 WeakPolarHBondContact O-CB 3.26Å; V1333-C1337 PolarHBondContact O-N 3.22Å; V1333-C1337 PolarHBondContact O-SG 3.2Å; V1333-A1345 HydrophobicContact CG1-CB 4.34Å; V1333-A1345 HydrophobicContact CG2-CB 4.14Å; V1333-I1348 HydrophobicContact CG2-CG2 4.03Å; V1333-A1357 HydrophobicContact CG2-CB 3.89Å; V1333-H1360 HydrophobicContact CG1-CB 3.99Å; V1333-L1361 HydrophobicContact CG1-CB 3.64Å |
| 1334 | R | 90.6 | Very high | 87.7 | Confident | 69 Ų | 69 | 42.3 Ų | 42.3 | 26% | 0.26 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.5 | -47.4 | 175.5 | 179.8 | 161.1 | 52.1 | 96 | 9.6 | 112.1 | E1311 Y1323 L1330 S1331 L1332 C1337 C1338 H1360 | E1311-R1334 IonicContact OE1-CZ 3.37Å; E1311-R1334 VanDerWaalsContact OE1-CZ 3.31Å; E1311-R1334 IonicContact OE1-NE 2.62Å; E1311-R1334 IonicContact OE1-NH1 3.72Å; E1311-R1334 PolarHBondContact OE1-NH1 2.77Å; E1311-R1334 IonicContact OE1-NH2 3.65Å; E1311-R1334 IonicContact OE2-CZ 2.81Å; E1311-R1334 IonicContact OE2-NH1 3.25Å; E1311-R1334 PolarHBondContact OE2-NH1 2.87Å; E1311-R1334 IonicContact OE2-NH2 3.96Å; E1311-R1334 PolarHBondContact OE2-NH2 3.08Å; Y1323-R1334 PolarHBondContact OH-NH2 3.11Å; Y1323-R1334 VanDerWaalsContact OH-NH2 3.08Å; L1330-R1334 PolarHBondContact O-N 3.09Å; L1330-R1334 VanDerWaalsContact O-N 3.08Å; S1331-R1334 VanDerWaalsContact CB-NH2 3.35Å; S1331-R1334 PolarHBondContact O-N 2.88Å; S1331-R1334 PolarHBondContact OG-NH2 2.83Å; S1331-R1334 VanDerWaalsContact OG-NH2 3.09Å; L1332-R1334 VanDerWaalsContact C-N 3.28Å; L1332-R1334 PolarHBondContact O-N 3.1Å; R1334-C1337 WeakPolarHBondContact O-CB 3.36Å; R1334-C1337 PolarHBondContact O-N 3.32Å; R1334-C1338 PolarHBondContact O-N 3.31Å; R1334-C1338 PolarHBondContact O-SG 2.94Å; R1334-C1338 VanDerWaalsContact O-SG 3.34Å; R1334-H1360 WeakPolarHBondContact CD-NE2 3.04Å; R1334-H1360 WeakPolarHBondContact CG-NE2 3.45Å |
| 1335 | V | 90 | Very high | 87.8 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 175.2 | 162.8 | 0 | 0 | 0 | 0 | 112.2 | E1311 L1316 A1319 K1320 Y1323 S1331 L1332 V1333 C1337 C1338 L1339 | E1311-V1335 HydrophobicContact CG-CG2 4.24Å; L1316-V1335 HydrophobicContact CB-CG1 4.18Å; L1316-V1335 HydrophobicContact CD2-CG2 4.1Å; L1316-V1335 VanDerWaalsContact O-CG1 3.25Å; L1316-V1335 WeakPolarHBondContact O-CG1 3.24Å; A1319-V1335 HydrophobicContact CB-CG2 4.1Å; K1320-V1335 HydrophobicContact CB-CG1 4Å; Y1323-V1335 HydrophobicContact CD2-CB 4.19Å; Y1323-V1335 HydrophobicContact CD2-CG2 3.64Å; Y1323-V1335 HydrophobicContact CE2-CB 4.39Å; Y1323-V1335 HydrophobicContact CE2-CG2 3.39Å; S1331-V1335 PolarHBondContact O-N 3.29Å; L1332-V1335 PolarHBondContact O-N 3.32Å; L1332-V1335 VanDerWaalsContact O-N 3.17Å; V1333-V1335 PolarHBondContact O-N 2.87Å; V1335-C1337 VanDerWaalsContact C-N 3.32Å; V1335-C1337 PolarHBondContact O-N 2.76Å; V1335-C1338 CarbonylContact O-C 3.54Å; V1335-C1338 WeakPolarHBondContact O-CA 3.5Å; V1335-C1338 WeakPolarHBondContact O-CB 3.33Å; V1335-C1338 PolarHBondContact O-N 3.32Å; V1335-L1339 HydrophobicContact CG1-CD1 3.83Å; V1335-L1339 HydrophobicContact CG1-CG 4.3Å; V1335-L1339 WeakPolarHBondContact O-CG 3.29Å; V1335-L1339 PolarHBondContact O-N 3.09Å |
| 1336 | L | 90.1 | Very high | 88 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62 | -38.7 | 176.7 | -67.2 | 168.6 | 0 | 0 | 0 | 111.8 | K1320 L1332 V1333 C1338 L1339 G1340 E1341 E1344 A1345 I1348 | K1320-L1336 HydrophobicContact CD-CD2 3.74Å; K1320-L1336 HydrophobicContact CG-CD2 4.12Å; L1332-L1336 HydrophobicContact CD1-CD1 4.15Å; L1332-L1336 HydrophobicContact CD1-CG 4.34Å; L1332-L1336 HydrophobicContact CG-CD1 3.89Å; L1332-L1336 HydrophobicContact CG-CG 4.5Å; L1332-L1336 VanDerWaalsContact O-CG 3.28Å; L1332-L1336 WeakPolarHBondContact O-CG 3.46Å; L1332-L1336 PolarHBondContact O-N 3.01Å; V1333-L1336 PolarHBondContact O-N 2.69Å; L1336-C1338 VanDerWaalsContact C-N 3.29Å; L1336-C1338 PolarHBondContact O-N 3.03Å; L1336-L1339 PolarHBondContact O-N 3.14Å; L1336-G1340 CarbonylContact O-C 3.56Å; L1336-G1340 PolarHBondContact O-N 3.21Å; L1336-E1341 HydrophobicContact CB-CB 4.39Å; L1336-E1341 HydrophobicContact CD2-CB 3.87Å; L1336-E1341 WeakPolarHBondContact CD2-OE2 3.27Å; L1336-E1341 PolarHBondContact O-N 2.6Å; L1336-E1344 HydrophobicContact CD1-CB 4.17Å; L1336-E1344 HydrophobicContact CD2-CB 4.23Å; L1336-A1345 HydrophobicContact CB-CB 3.92Å; L1336-A1345 HydrophobicContact CD1-CB 4.13Å; L1336-I1348 HydrophobicContact CD1-CD1 3.41Å; L1336-I1348 VanDerWaalsContact CD1-CD1 3.41Å |
| 1337 | C | 88.8 | Confident | 88.3 | Confident | 11 Ų | 11 | 42.8 Ų | 42.8 | 7% | 0.074 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -33 | 172.2 | -67.3 | 0 | 0 | 0 | 0 | 112.2 | V1333 R1334 V1335 H1364 | V1333-C1337 WeakPolarHBondContact O-CB 3.26Å; V1333-C1337 PolarHBondContact O-N 3.22Å; V1333-C1337 PolarHBondContact O-SG 3.2Å; R1334-C1337 WeakPolarHBondContact O-CB 3.36Å; R1334-C1337 PolarHBondContact O-N 3.32Å; V1335-C1337 VanDerWaalsContact C-N 3.32Å; V1335-C1337 PolarHBondContact O-N 2.76Å; C1337-H1364 HydrophobicContact CB-CB 4.31Å; C1337-H1364 PolarHBondContact O-CE1 3.08Å; C1337-H1364 VanDerWaalsContact SG-CD2 3.6Å; C1337-H1364 VanDerWaalsContact SG-CG 3.56Å |
| 1338 | C | 86.5 | Confident | 88.4 | Confident | 81 Ų | 81 | 38.7 Ų | 38.7 | 55% | 0.547 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -77.7 | -28.5 | 173.8 | -67.3 | 0 | 0 | 0 | 0 | 113.8 | L1316 R1334 V1335 L1336 | L1316-C1338 HydrophobicContact CD1-CB 3.82Å; L1316-C1338 HydrophobicContact CD2-CB 4.47Å; R1334-C1338 PolarHBondContact O-N 3.31Å; R1334-C1338 PolarHBondContact O-SG 2.94Å; R1334-C1338 VanDerWaalsContact O-SG 3.34Å; V1335-C1338 CarbonylContact O-C 3.54Å; V1335-C1338 WeakPolarHBondContact O-CA 3.5Å; V1335-C1338 WeakPolarHBondContact O-CB 3.33Å; V1335-C1338 PolarHBondContact O-N 3.32Å; L1336-C1338 VanDerWaalsContact C-N 3.29Å; L1336-C1338 PolarHBondContact O-N 3.03Å |
| 1339 | L | 87.2 | Confident | 88.6 | Confident | 50 Ų | 50 | 37.6 Ų | 37.6 | 26% | 0.262 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -80.1 | -20.7 | 172.2 | -68.1 | 172.8 | 0 | 0 | 0 | 112.6 | L1316 E1317 K1320 V1335 L1336 E1341 | L1316-L1339 HydrophobicContact CB-CD1 4.45Å; L1316-L1339 HydrophobicContact CB-CD2 3.65Å; L1316-L1339 HydrophobicContact CB-CG 4.05Å; L1316-L1339 HydrophobicContact CD1-CD2 4.15Å; E1317-L1339 HydrophobicContact CG-CD2 4.32Å; E1317-L1339 WeakPolarHBondContact OE1-CD2 3.23Å; K1320-L1339 HydrophobicContact CB-CD1 4.45Å; K1320-L1339 HydrophobicContact CD-CD1 4.03Å; V1335-L1339 HydrophobicContact CG1-CD1 3.83Å; V1335-L1339 HydrophobicContact CG1-CG 4.3Å; V1335-L1339 WeakPolarHBondContact O-CG 3.29Å; V1335-L1339 PolarHBondContact O-N 3.09Å; L1336-L1339 PolarHBondContact O-N 3.14Å; L1339-E1341 HydrophobicContact CB-CG 4.13Å; L1339-E1341 WeakPolarHBondContact CD1-OE2 3.36Å |
| 1340 | G | 84.8 | Confident | 88.4 | Confident | 47 Ų | 47 | 38.7 Ų | 38.7 | 49% | 0.485 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | 6.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1336 E1342 | L1336-G1340 CarbonylContact O-C 3.56Å; L1336-G1340 PolarHBondContact O-N 3.21Å; G1340-E1342 PolarHBondContact O-N 2.64Å |
| 1341 | E | 87.4 | Confident | 88.4 | Confident | 54 Ų | 54 | 43 Ų | 43 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | trans | -86.2 | 52.3 | -174 | -62.9 | 178.2 | 122 | 0 | 0 | 112.2 | K1320 L1336 L1339 S1343 E1344 A1345 | K1320-E1341 IonicContact NZ-OE1 3.27Å; K1320-E1341 PolarHBondContact NZ-OE1 3.38Å; K1320-E1341 IonicContact NZ-OE2 2.8Å; K1320-E1341 PolarHBondContact NZ-OE2 2.94Å; L1336-E1341 HydrophobicContact CB-CB 4.39Å; L1336-E1341 HydrophobicContact CD2-CB 3.87Å; L1336-E1341 WeakPolarHBondContact CD2-OE2 3.27Å; L1336-E1341 PolarHBondContact O-N 2.6Å; L1339-E1341 HydrophobicContact CB-CG 4.13Å; L1339-E1341 WeakPolarHBondContact CD1-OE2 3.36Å; E1341-S1343 VanDerWaalsContact C-N 3.26Å; E1341-S1343 PolarHBondContact O-N 2.86Å; E1341-E1344 PolarHBondContact O-N 2.99Å; E1341-A1345 PolarHBondContact O-N 2.92Å; E1341-A1345 VanDerWaalsContact O-N 3.1Å | ||
| 1342 | E | 85.6 | Confident | 88.2 | Confident | 36 Ų | 36 | 44.6 Ų | 44.6 | 17% | 0.168 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.2 | -29.6 | -173.9 | -78.6 | 148.7 | -142.2 | 0 | 0 | 114.5 | G1340 E1344 A1345 E1346 H1364 K1368 | G1340-E1342 PolarHBondContact O-N 2.64Å; E1342-E1344 VanDerWaalsContact C-N 3.34Å; E1342-A1345 PolarHBondContact O-N 3.02Å; E1342-E1346 WeakPolarHBondContact O-CB 3.4Å; E1342-E1346 PolarHBondContact O-N 3.28Å; E1342-H1364 VanDerWaalsContact CD-NE2 3.33Å; E1342-H1364 IonicContact OE1-CD2 2.78Å; E1342-H1364 IonicContact OE1-CE1 3.62Å; E1342-H1364 IonicContact OE1-NE2 3.98Å; E1342-H1364 PolarHBondContact OE1-NE2 3.46Å; E1342-K1368 WeakPolarHBondContact OE1-CE 3.47Å; E1342-K1368 IonicContact OE1-NZ 3.79Å; E1342-K1368 PolarHBondContact OE1-NZ 3.26Å; E1342-K1368 WeakPolarHBondContact OE2-CD 3.25Å; E1342-K1368 WeakPolarHBondContact OE2-CE 3.37Å; E1342-K1368 IonicContact OE2-NZ 3.19Å; E1342-K1368 PolarHBondContact OE2-NZ 3.3Å |
| 1343 | S | 86.7 | Confident | 87.8 | Confident | 87 Ų | 87 | 48.6 Ų | 48.6 | 61% | 0.608 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -65.1 | -37.6 | 174.7 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | E1341 E1346 T1347 | E1341-S1343 VanDerWaalsContact C-N 3.26Å; E1341-S1343 PolarHBondContact O-N 2.86Å; S1343-E1346 PolarHBondContact O-N 2.85Å; S1343-T1347 PolarHBondContact O-N 3.1Å; S1343-T1347 PolarHBondContact O-OG1 3.29Å |
| 1344 | E | 87.3 | Confident | 87.7 | Confident | 80 Ų | 80 | 50.5 Ų | 50.5 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -72.3 | -38.2 | 174.2 | -64.2 | -167.4 | -179.3 | 0 | 0 | 110.6 | K1320 L1336 E1341 E1342 E1346 T1347 I1348 | K1320-E1344 WeakPolarHBondContact CE-OE2 3.44Å; K1320-E1344 IonicContact NZ-OE1 3.33Å; K1320-E1344 IonicContact NZ-OE2 2.79Å; K1320-E1344 PolarHBondContact NZ-OE2 3.13Å; L1336-E1344 HydrophobicContact CD1-CB 4.17Å; L1336-E1344 HydrophobicContact CD2-CB 4.23Å; E1341-E1344 PolarHBondContact O-N 2.99Å; E1342-E1344 VanDerWaalsContact C-N 3.34Å; E1344-E1346 VanDerWaalsContact C-N 3.29Å; E1344-E1346 PolarHBondContact O-N 3.31Å; E1344-T1347 WeakPolarHBondContact CA-OG1 3.06Å; E1344-T1347 PolarHBondContact O-N 3.47Å; E1344-T1347 PolarHBondContact O-OG1 2.71Å; E1344-I1348 WeakPolarHBondContact O-CB 3.14Å; E1344-I1348 WeakPolarHBondContact O-CD1 3.25Å; E1344-I1348 WeakPolarHBondContact O-CG1 3.4Å; E1344-I1348 PolarHBondContact O-N 2.93Å |
| 1345 | A | 89.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.2 | -38.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1333 L1336 E1341 E1342 C1349 L1361 | V1333-A1345 HydrophobicContact CG1-CB 4.34Å; V1333-A1345 HydrophobicContact CG2-CB 4.14Å; L1336-A1345 HydrophobicContact CB-CB 3.92Å; L1336-A1345 HydrophobicContact CD1-CB 4.13Å; E1341-A1345 PolarHBondContact O-N 2.92Å; E1341-A1345 VanDerWaalsContact O-N 3.1Å; E1342-A1345 PolarHBondContact O-N 3.02Å; A1345-C1349 PolarHBondContact O-N 3.03Å; A1345-C1349 PolarHBondContact O-SG 3.05Å; A1345-L1361 HydrophobicContact CB-CD1 3.87Å; A1345-L1361 HydrophobicContact CB-CD2 4.2Å |
| 1346 | E | 88.9 | Confident | 87.3 | Confident | 60 Ų | 60 | 50.8 Ų | 50.8 | 28% | 0.28 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -71.7 | -41.4 | 176.4 | -175.5 | 164.4 | -153 | 0 | 0 | 112 | E1342 S1343 E1344 I1348 C1349 N1350 L1361 Q1373 | E1342-E1346 WeakPolarHBondContact O-CB 3.4Å; E1342-E1346 PolarHBondContact O-N 3.28Å; S1343-E1346 PolarHBondContact O-N 2.85Å; E1344-E1346 VanDerWaalsContact C-N 3.29Å; E1344-E1346 PolarHBondContact O-N 3.31Å; E1346-I1348 VanDerWaalsContact C-N 3.33Å; E1346-I1348 PolarHBondContact O-N 3.28Å; E1346-C1349 PolarHBondContact O-N 2.71Å; E1346-N1350 WeakPolarHBondContact CG-ND2 3.2Å; E1346-N1350 VanDerWaalsContact O-CB 3.24Å; E1346-N1350 WeakPolarHBondContact O-CB 3.1Å; E1346-N1350 PolarHBondContact O-N 3.41Å; E1346-N1350 PolarHBondContact O-ND2 3.43Å; E1346-L1361 HydrophobicContact CB-CD2 3.94Å; E1346-Q1373 PolarHBondContact OE1-NE2 3.16Å; E1346-Q1373 PolarHBondContact OE2-NE2 3.09Å |
| 1347 | T | 89.3 | Confident | 87.4 | Confident | 70 Ų | 70 | 50.8 Ų | 50.8 | 43% | 0.429 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 172.5 | 53 | 0 | 0 | 0 | 0 | 111.4 | S1343 E1344 N1350 E1351 | S1343-T1347 PolarHBondContact O-N 3.1Å; S1343-T1347 PolarHBondContact O-OG1 3.29Å; E1344-T1347 WeakPolarHBondContact CA-OG1 3.06Å; E1344-T1347 PolarHBondContact O-N 3.47Å; E1344-T1347 PolarHBondContact O-OG1 2.71Å; T1347-N1350 CarbonylContact O-C 3.55Å; T1347-N1350 PolarHBondContact O-N 3.09Å; T1347-N1350 VanDerWaalsContact O-N 3.1Å; T1347-E1351 WeakPolarHBondContact O-CB 3.25Å; T1347-E1351 WeakPolarHBondContact O-CG 3.43Å; T1347-E1351 PolarHBondContact O-N 3.33Å |
| 1348 | I | 88.3 | Confident | 87.4 | Confident | 25 Ų | 25 | 50.3 Ų | 50.3 | 13% | 0.128 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -48.7 | 176 | -78.3 | 154.6 | 0 | 0 | 0 | 111.7 | Y1329 L1332 V1333 L1336 E1344 E1346 N1350 E1351 T1352 | Y1329-I1348 HydrophobicContact CD1-CG2 3.81Å; Y1329-I1348 HydrophobicContact CG-CG2 4.25Å; L1332-I1348 HydrophobicContact CD2-CD1 3.4Å; L1332-I1348 HydrophobicContact CD2-CG1 4.07Å; L1332-I1348 HydrophobicContact CD2-CG2 4.08Å; L1332-I1348 HydrophobicContact CG-CD1 3.84Å; V1333-I1348 HydrophobicContact CG2-CG2 4.03Å; L1336-I1348 HydrophobicContact CD1-CD1 3.41Å; L1336-I1348 VanDerWaalsContact CD1-CD1 3.41Å; E1344-I1348 WeakPolarHBondContact O-CB 3.14Å; E1344-I1348 WeakPolarHBondContact O-CD1 3.25Å; E1344-I1348 WeakPolarHBondContact O-CG1 3.4Å; E1344-I1348 PolarHBondContact O-N 2.93Å; E1346-I1348 VanDerWaalsContact C-N 3.33Å; E1346-I1348 PolarHBondContact O-N 3.28Å; I1348-N1350 PolarHBondContact O-N 3.08Å; I1348-E1351 PolarHBondContact O-N 3.14Å; I1348-T1352 HydrophobicContact CG2-CG2 4.47Å; I1348-T1352 VanDerWaalsContact O-CB 3.29Å; I1348-T1352 WeakPolarHBondContact O-CB 3.46Å; I1348-T1352 WeakPolarHBondContact O-CG2 3.46Å; I1348-T1352 PolarHBondContact O-N 2.73Å; I1348-T1352 VanDerWaalsContact O-N 3.1Å; I1348-T1352 PolarHBondContact O-OG1 3.15Å |
| 1349 | C | 89.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.1 | -38.8 | 173.6 | -68.6 | 0 | 0 | 0 | 0 | 111.9 | A1345 E1346 D1353 L1361 L1377 | A1345-C1349 PolarHBondContact O-N 3.03Å; A1345-C1349 PolarHBondContact O-SG 3.05Å; E1346-C1349 PolarHBondContact O-N 2.71Å; C1349-D1353 PolarHBondContact O-N 2.87Å; C1349-L1361 HydrophobicContact CB-CD2 4.28Å; C1349-L1361 VanDerWaalsContact SG-CD2 3.53Å; C1349-L1377 HydrophobicContact CB-CD2 3.55Å |
| 1350 | N | 87.2 | Confident | 87.8 | Confident | 71 Ų | 71 | 49.5 Ų | 49.5 | 38% | 0.38 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -77.4 | -30.5 | -174.8 | -72.8 | -29.9 | 0 | 0 | 0 | 114.6 | E1346 T1347 I1348 R1380 | E1346-N1350 WeakPolarHBondContact CG-ND2 3.2Å; E1346-N1350 VanDerWaalsContact O-CB 3.24Å; E1346-N1350 WeakPolarHBondContact O-CB 3.1Å; E1346-N1350 PolarHBondContact O-N 3.41Å; E1346-N1350 PolarHBondContact O-ND2 3.43Å; T1347-N1350 CarbonylContact O-C 3.55Å; T1347-N1350 PolarHBondContact O-N 3.09Å; T1347-N1350 VanDerWaalsContact O-N 3.1Å; I1348-N1350 PolarHBondContact O-N 3.08Å; N1350-R1380 PolarHBondContact O-NH2 3.23Å; N1350-R1380 PolarHBondContact OD1-NH1 2.92Å |
| 1351 | E | 88 | Confident | 88.2 | Confident | 157 Ų | 157 | 47.3 Ų | 47.3 | 73% | 0.734 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -86.2 | -25.1 | 178.5 | -72.5 | 174.9 | -176.3 | 0 | 0 | 113.6 | T1347 I1348 | T1347-E1351 WeakPolarHBondContact O-CB 3.25Å; T1347-E1351 WeakPolarHBondContact O-CG 3.43Å; T1347-E1351 PolarHBondContact O-N 3.33Å; I1348-E1351 PolarHBondContact O-N 3.14Å |
| 1352 | T | 85.1 | Confident | 88.3 | Confident | 37 Ų | 37 | 44.7 Ų | 44.7 | 23% | 0.227 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -111 | -22.1 | -166.9 | 67.9 | 0 | 0 | 0 | 0 | 114.5 | Y1329 I1348 D1354 | Y1329-T1352 HydrophobicContact CD1-CG2 3.72Å; Y1329-T1352 HydrophobicContact CD2-CG2 3.87Å; Y1329-T1352 HydrophobicContact CE1-CG2 3.45Å; Y1329-T1352 VanDerWaalsContact CE1-CG2 3.45Å; Y1329-T1352 HydrophobicContact CE2-CG2 3.59Å; Y1329-T1352 HydrophobicContact CG-CG2 3.91Å; I1348-T1352 HydrophobicContact CG2-CG2 4.47Å; I1348-T1352 VanDerWaalsContact O-CB 3.29Å; I1348-T1352 WeakPolarHBondContact O-CB 3.46Å; I1348-T1352 WeakPolarHBondContact O-CG2 3.46Å; I1348-T1352 PolarHBondContact O-N 2.73Å; I1348-T1352 VanDerWaalsContact O-N 3.1Å; I1348-T1352 PolarHBondContact O-OG1 3.15Å; T1352-D1354 PolarHBondContact O-N 3.46Å |
| 1353 | D | 83.4 | Confident | 88.5 | Confident | 85 Ų | 85 | 44.8 Ų | 44.8 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | trans | 52.7 | 19.9 | -174.5 | -89.3 | -63.8 | 0 | 0 | 0 | 115 | C1349 P1355 R1380 | C1349-D1353 PolarHBondContact O-N 2.87Å; D1353-P1355 VanDerWaalsContact O-CD 3.3Å; D1353-P1355 WeakPolarHBondContact O-CD 3.28Å; D1353-R1380 IonicContact OD1-CZ 2.65Å; D1353-R1380 VanDerWaalsContact OD1-CZ 3.27Å; D1353-R1380 IonicContact OD1-NE 2.7Å; D1353-R1380 PolarHBondContact OD1-NE 3.27Å; D1353-R1380 IonicContact OD1-NH2 2.7Å; D1353-R1380 PolarHBondContact OD1-NH2 3.47Å; D1353-R1380 IonicContact OD2-CZ 3.83Å; D1353-R1380 IonicContact OD2-NE 2.63Å; D1353-R1380 IonicContact OD2-NH2 3.56Å; D1353-R1380 PolarHBondContact OD2-NH2 3.45Å | ||
| 1354 | D | 86.8 | Confident | 88.7 | Confident | 41 Ų | 41 | 42.4 Ų | 42.4 | 22% | 0.219 | 22% | 0.223 | C | C | . | . | trans | -62.6 | 124.1 | -178.6 | 171.8 | 48.3 | 0 | 0 | 0 | 111.1 | Y1329 L1330 T1352 G1356 A1357 C1358 | Y1329-D1354 HydrophobicContact CD2-CB 3.83Å; Y1329-D1354 HydrophobicContact CG-CB 4.25Å; L1330-D1354 PolarHBondContact N-OD2 2.63Å; T1352-D1354 PolarHBondContact O-N 3.46Å; D1354-G1356 PolarHBondContact O-N 3.16Å; D1354-G1356 PolarHBondContact OD2-N 2.89Å; D1354-A1357 HydrophobicContact CB-CB 3.77Å; D1354-A1357 PolarHBondContact O-N 3.18Å; D1354-A1357 WeakPolarHBondContact OD2-CB 3.43Å; D1354-A1357 PolarHBondContact OD2-N 3.01Å; D1354-C1358 PolarHBondContact O-N 3.25Å; D1354-C1358 VanDerWaalsContact O-N 3.12Å; D1354-C1358 PolarHBondContact O-SG 3.44Å | ||
| 1355 | P | 87.3 | Confident | 88.8 | Confident | 59 Ų | 59 | 38.9 Ų | 38.9 | 38% | 0.383 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.7 | -36.6 | -176.9 | -30.6 | 38.1 | 0 | 0 | 0 | 113.5 | D1353 H1359 A1381 | D1353-P1355 VanDerWaalsContact O-CD 3.3Å; D1353-P1355 WeakPolarHBondContact O-CD 3.28Å; P1355-H1359 WeakPolarHBondContact O-CB 3.44Å; P1355-H1359 PolarHBondContact O-N 3.14Å; P1355-H1359 VanDerWaalsContact O-N 3.12Å; P1355-A1381 WeakPolarHBondContact CB-O 3.37Å; P1355-A1381 WeakPolarHBondContact O-CA 3.45Å; P1355-A1381 WeakPolarHBondContact O-CB 3.45Å |
| 1356 | G | 86.4 | Confident | 88.7 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 17% | 0.165 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -73.4 | -44.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1330 D1354 C1358 H1359 H1360 | L1330-G1356 VanDerWaalsContact CD1-O 3.28Å; L1330-G1356 WeakPolarHBondContact CD1-O 3.4Å; D1354-G1356 PolarHBondContact O-N 3.16Å; D1354-G1356 PolarHBondContact OD2-N 2.89Å; G1356-C1358 VanDerWaalsContact C-N 3.31Å; G1356-C1358 PolarHBondContact O-N 2.99Å; G1356-H1359 PolarHBondContact O-N 3.14Å; G1356-H1359 VanDerWaalsContact O-N 3.1Å; G1356-H1360 PolarHBondContact O-N 3.44Å |
| 1357 | A | 90.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -49.8 | -53.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y1329 L1330 V1333 D1354 H1359 H1360 L1361 | Y1329-A1357 VanDerWaalsContact C-CB 3.5Å; L1330-A1357 VanDerWaalsContact CA-N 3.31Å; V1333-A1357 HydrophobicContact CG2-CB 3.89Å; D1354-A1357 HydrophobicContact CB-CB 3.77Å; D1354-A1357 PolarHBondContact O-N 3.18Å; D1354-A1357 WeakPolarHBondContact OD2-CB 3.43Å; D1354-A1357 PolarHBondContact OD2-N 3.01Å; A1357-H1359 VanDerWaalsContact C-N 3.31Å; A1357-H1359 PolarHBondContact O-N 3.26Å; A1357-H1360 PolarHBondContact O-N 2.9Å; A1357-L1361 PolarHBondContact O-N 3.15Å |
| 1358 | C | 90.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.6 | -33.1 | -177.9 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | D1354 G1356 G1362 L1377 R1380 A1381 | D1354-C1358 PolarHBondContact O-N 3.25Å; D1354-C1358 VanDerWaalsContact O-N 3.12Å; D1354-C1358 PolarHBondContact O-SG 3.44Å; G1356-C1358 VanDerWaalsContact C-N 3.31Å; G1356-C1358 PolarHBondContact O-N 2.99Å; C1358-G1362 WeakPolarHBondContact O-CA 3.44Å; C1358-G1362 PolarHBondContact O-N 2.98Å; C1358-L1377 HydrophobicContact CB-CB 4.2Å; C1358-L1377 HydrophobicContact CB-CD2 4.16Å; C1358-L1377 WeakPolarHBondContact CB-O 3.05Å; C1358-L1377 WeakPolarHBondContact O-CB 3.32Å; C1358-R1380 HydrophobicContact CB-CB 4.01Å; C1358-A1381 HydrophobicContact CB-CB 3.97Å |
| 1359 | H | 90.9 | Very high | 88.4 | Confident | 67 Ų | 67 | 49.1 Ų | 49.1 | 31% | 0.31 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 172.6 | -167 | 80.4 | 0 | 0 | 0 | 113 | P1355 G1356 A1357 N1363 F1378 A1381 A1383 S1386 | P1355-H1359 WeakPolarHBondContact O-CB 3.44Å; P1355-H1359 PolarHBondContact O-N 3.14Å; P1355-H1359 VanDerWaalsContact O-N 3.12Å; G1356-H1359 PolarHBondContact O-N 3.14Å; G1356-H1359 VanDerWaalsContact O-N 3.1Å; A1357-H1359 VanDerWaalsContact C-N 3.31Å; A1357-H1359 PolarHBondContact O-N 3.26Å; H1359-N1363 PolarHBondContact CD2-ND2 3.45Å; H1359-N1363 PolarHBondContact NE2-ND2 3.24Å; H1359-N1363 PolarHBondContact O-N 3.41Å; H1359-N1363 PolarHBondContact O-ND2 2.98Å; H1359-F1378 AromaticContact CE1-CD1 3.99Å; H1359-F1378 AromaticContact CE1-CE1 3.63Å; H1359-F1378 AromaticContact CG-CE1 3.94Å; H1359-F1378 AromaticContact ND1-CD1 3.46Å; H1359-F1378 WeakPolarHBondContact ND1-CD1 3.41Å; H1359-F1378 AromaticContact ND1-CE1 3.44Å; H1359-F1378 WeakPolarHBondContact ND1-CE1 3.35Å; H1359-F1378 VanDerWaalsContact O-CE1 3.26Å; H1359-F1378 WeakPolarHBondContact O-CE1 3.39Å; H1359-A1381 HydrophobicContact CB-CB 3.93Å; H1359-A1383 WeakPolarHBondContact ND1-CB 3.47Å; H1359-S1386 PolarHBondContact CE1-OG 2.97Å; H1359-S1386 VanDerWaalsContact CE1-OG 3.3Å; H1359-S1386 PolarHBondContact ND1-OG 3.45Å |
| 1360 | H | 91.3 | Very high | 88.3 | Confident | 48 Ų | 48 | 51.5 Ų | 51.5 | 22% | 0.222 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.2 | -47.4 | -179.5 | -167.3 | -72.1 | 0 | 0 | 0 | 111.8 | L1330 V1333 R1334 G1356 A1357 G1362 N1363 H1364 | L1330-H1360 HydrophobicContact CD1-CB 3.87Å; V1333-H1360 HydrophobicContact CG1-CB 3.99Å; R1334-H1360 WeakPolarHBondContact CD-NE2 3.04Å; R1334-H1360 WeakPolarHBondContact CG-NE2 3.45Å; G1356-H1360 PolarHBondContact O-N 3.44Å; A1357-H1360 PolarHBondContact O-N 2.9Å; H1360-G1362 VanDerWaalsContact C-N 3.26Å; H1360-G1362 PolarHBondContact O-N 3.37Å; H1360-N1363 PolarHBondContact O-N 2.87Å; H1360-N1363 VanDerWaalsContact O-N 3.13Å; H1360-H1364 PolarHBondContact O-N 3.41Å |
| 1361 | L | 92 | Very high | 88.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -36.8 | 175 | -171.5 | 60.5 | 0 | 0 | 0 | 110.9 | V1333 A1345 E1346 C1349 A1357 N1363 H1364 L1365 L1377 | V1333-L1361 HydrophobicContact CG1-CB 3.64Å; A1345-L1361 HydrophobicContact CB-CD1 3.87Å; A1345-L1361 HydrophobicContact CB-CD2 4.2Å; E1346-L1361 HydrophobicContact CB-CD2 3.94Å; C1349-L1361 HydrophobicContact CB-CD2 4.28Å; C1349-L1361 VanDerWaalsContact SG-CD2 3.53Å; A1357-L1361 PolarHBondContact O-N 3.15Å; L1361-N1363 VanDerWaalsContact C-N 3.34Å; L1361-N1363 PolarHBondContact O-N 3.47Å; L1361-H1364 PolarHBondContact O-N 3.18Å; L1361-L1365 HydrophobicContact CD1-CD1 4.38Å; L1361-L1365 HydrophobicContact CD1-CD2 4.38Å; L1361-L1365 HydrophobicContact CD1-CG 3.98Å; L1361-L1365 HydrophobicContact CD2-CD1 4.47Å; L1361-L1365 HydrophobicContact CG-CD1 4.05Å; L1361-L1365 HydrophobicContact CG-CG 4.03Å; L1361-L1365 WeakPolarHBondContact O-CB 3.24Å; L1361-L1365 WeakPolarHBondContact O-CG 3.31Å; L1361-L1365 PolarHBondContact O-N 3.28Å; L1361-L1377 HydrophobicContact CB-CD1 3.93Å; L1361-L1377 HydrophobicContact CD2-CD1 3.65Å; L1361-L1377 HydrophobicContact CD2-CD2 4.23Å; L1361-L1377 HydrophobicContact CG-CD1 3.59Å |
| 1362 | G | 90.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.2 | -42.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | C1358 H1360 K1366 A1374 | C1358-G1362 WeakPolarHBondContact O-CA 3.44Å; C1358-G1362 PolarHBondContact O-N 2.98Å; H1360-G1362 VanDerWaalsContact C-N 3.26Å; H1360-G1362 PolarHBondContact O-N 3.37Å; G1362-K1366 VanDerWaalsContact O-CB 3.23Å; G1362-K1366 WeakPolarHBondContact O-CB 3.5Å; G1362-K1366 PolarHBondContact O-N 3.09Å; G1362-A1374 VanDerWaalsContact O-CB 3.25Å; G1362-A1374 WeakPolarHBondContact O-CB 3.44Å |
| 1363 | N | 89.5 | Confident | 88.4 | Confident | 37 Ų | 37 | 45.5 Ų | 45.5 | 20% | 0.198 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.4 | -36.8 | 174.6 | -81 | -67 | 0 | 0 | 0 | 113.1 | H1359 H1360 L1361 K1366 L1367 F1378 | H1359-N1363 PolarHBondContact CD2-ND2 3.45Å; H1359-N1363 PolarHBondContact NE2-ND2 3.24Å; H1359-N1363 PolarHBondContact O-N 3.41Å; H1359-N1363 PolarHBondContact O-ND2 2.98Å; H1360-N1363 PolarHBondContact O-N 2.87Å; H1360-N1363 VanDerWaalsContact O-N 3.13Å; L1361-N1363 VanDerWaalsContact C-N 3.34Å; L1361-N1363 PolarHBondContact O-N 3.47Å; N1363-K1366 WeakPolarHBondContact O-CB 3.26Å; N1363-K1366 PolarHBondContact OD1-NZ 3.2Å; N1363-L1367 WeakPolarHBondContact O-CG 3.28Å; N1363-L1367 PolarHBondContact O-N 3.43Å; N1363-L1367 VanDerWaalsContact O-N 3.12Å; N1363-F1378 HydrophobicContact CB-CZ 4.29Å; N1363-F1378 VanDerWaalsContact N-CZ 3.33Å; N1363-F1378 WeakPolarHBondContact ND2-CE1 3.06Å |
| 1364 | H | 90.2 | Very high | 88.7 | Confident | 37 Ų | 37 | 41.5 Ų | 41.5 | 17% | 0.171 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.8 | -45.9 | 178.2 | -171.6 | 76.5 | 0 | 0 | 0 | 112.3 | C1337 E1342 H1360 L1361 K1366 L1367 K1368 | C1337-H1364 HydrophobicContact CB-CB 4.31Å; C1337-H1364 PolarHBondContact O-CE1 3.08Å; C1337-H1364 VanDerWaalsContact SG-CD2 3.6Å; C1337-H1364 VanDerWaalsContact SG-CG 3.56Å; E1342-H1364 VanDerWaalsContact CD-NE2 3.33Å; E1342-H1364 IonicContact OE1-CD2 2.78Å; E1342-H1364 IonicContact OE1-CE1 3.62Å; E1342-H1364 IonicContact OE1-NE2 3.98Å; E1342-H1364 PolarHBondContact OE1-NE2 3.46Å; H1360-H1364 PolarHBondContact O-N 3.41Å; L1361-H1364 PolarHBondContact O-N 3.18Å; H1364-K1366 VanDerWaalsContact C-N 3.32Å; H1364-K1366 PolarHBondContact O-N 2.79Å; H1364-L1367 WeakPolarHBondContact O-CB 3.38Å; H1364-L1367 PolarHBondContact O-N 3Å; H1364-L1367 VanDerWaalsContact O-N 3.07Å; H1364-K1368 PolarHBondContact O-N 2.86Å |
| 1365 | L | 89.1 | Confident | 88.9 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.8 | -33 | 174.8 | -69.8 | -169.1 | 0 | 0 | 0 | 112.3 | L1361 K1368 G1369 C1370 Q1373 A1374 L1377 | L1361-L1365 HydrophobicContact CD1-CD1 4.38Å; L1361-L1365 HydrophobicContact CD1-CD2 4.38Å; L1361-L1365 HydrophobicContact CD1-CG 3.98Å; L1361-L1365 HydrophobicContact CD2-CD1 4.47Å; L1361-L1365 HydrophobicContact CG-CD1 4.05Å; L1361-L1365 HydrophobicContact CG-CG 4.03Å; L1361-L1365 WeakPolarHBondContact O-CB 3.24Å; L1361-L1365 WeakPolarHBondContact O-CG 3.31Å; L1361-L1365 PolarHBondContact O-N 3.28Å; L1365-K1368 CarbonylContact O-C 3.57Å; L1365-K1368 PolarHBondContact O-N 3.09Å; L1365-G1369 PolarHBondContact O-N 3.44Å; L1365-C1370 HydrophobicContact CB-CB 3.97Å; L1365-C1370 HydrophobicContact CD2-CB 4.25Å; L1365-C1370 HydrophobicContact CG-CB 4.48Å; L1365-C1370 PolarHBondContact O-N 2.7Å; L1365-Q1373 HydrophobicContact CD1-CB 3.58Å; L1365-Q1373 HydrophobicContact CD1-CG 4.45Å; L1365-A1374 HydrophobicContact CB-CB 4.19Å; L1365-L1377 HydrophobicContact CD1-CD1 3.66Å |
| 1366 | K | 88.9 | Confident | 89 | Confident | 52 Ų | 52 | 45.4 Ų | 45.4 | 23% | 0.226 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57 | -49.4 | 166.1 | 168.3 | -173.7 | 80.3 | -172.4 | 0 | 111.6 | G1362 N1363 H1364 K1368 G1369 A1374 L1390 | G1362-K1366 VanDerWaalsContact O-CB 3.23Å; G1362-K1366 WeakPolarHBondContact O-CB 3.5Å; G1362-K1366 PolarHBondContact O-N 3.09Å; N1363-K1366 WeakPolarHBondContact O-CB 3.26Å; N1363-K1366 PolarHBondContact OD1-NZ 3.2Å; H1364-K1366 VanDerWaalsContact C-N 3.32Å; H1364-K1366 PolarHBondContact O-N 2.79Å; K1366-K1368 PolarHBondContact O-N 3.34Å; K1366-G1369 PolarHBondContact O-N 3.1Å; K1366-A1374 HydrophobicContact CB-CB 4.26Å; K1366-L1390 HydrophobicContact CB-CD1 4.43Å; K1366-L1390 HydrophobicContact CB-CD2 4.38Å; K1366-L1390 HydrophobicContact CD-CD2 3.75Å; K1366-L1390 HydrophobicContact CD-CG 4.46Å; K1366-L1390 HydrophobicContact CG-CD2 3.81Å |
| 1367 | L | 87.5 | Confident | 89.1 | Confident | 144 Ų | 144 | 44.8 Ų | 44.8 | 75% | 0.754 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -63.3 | -26.5 | 178.8 | -70.6 | 169 | 0 | 0 | 0 | 112.6 | N1363 H1364 | N1363-L1367 WeakPolarHBondContact O-CG 3.28Å; N1363-L1367 PolarHBondContact O-N 3.43Å; N1363-L1367 VanDerWaalsContact O-N 3.12Å; H1364-L1367 WeakPolarHBondContact O-CB 3.38Å; H1364-L1367 PolarHBondContact O-N 3Å; H1364-L1367 VanDerWaalsContact O-N 3.07Å |
| 1368 | K | 85.7 | Confident | 89.2 | Confident | 122 Ų | 122 | 44.8 Ų | 44.8 | 53% | 0.53 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -5.2 | 170.7 | -79.2 | -168.5 | 156.8 | -174.3 | 0 | 115.5 | E1342 H1364 L1365 K1366 | E1342-K1368 WeakPolarHBondContact OE1-CE 3.47Å; E1342-K1368 IonicContact OE1-NZ 3.79Å; E1342-K1368 PolarHBondContact OE1-NZ 3.26Å; E1342-K1368 WeakPolarHBondContact OE2-CD 3.25Å; E1342-K1368 WeakPolarHBondContact OE2-CE 3.37Å; E1342-K1368 IonicContact OE2-NZ 3.19Å; E1342-K1368 PolarHBondContact OE2-NZ 3.3Å; H1364-K1368 PolarHBondContact O-N 2.86Å; L1365-K1368 CarbonylContact O-C 3.57Å; L1365-K1368 PolarHBondContact O-N 3.09Å; K1366-K1368 PolarHBondContact O-N 3.34Å |
| 1369 | G | 85.2 | Confident | 89.1 | Confident | 52 Ų | 52 | 47.4 Ų | 47.4 | 54% | 0.536 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 8.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1365 K1366 I1371 | L1365-G1369 PolarHBondContact O-N 3.44Å; K1366-G1369 PolarHBondContact O-N 3.1Å; G1369-I1371 PolarHBondContact O-N 2.74Å |
| 1370 | C | 87.7 | Confident | 89 | Confident | 49 Ų | 49 | 47.9 Ų | 47.9 | 33% | 0.331 | 24% | 0.24 | S | C | . | . | trans | -79.9 | 59 | 175.1 | -67.7 | 0 | 0 | 0 | 0 | 111.4 | L1365 D1372 Q1373 A1374 | L1365-C1370 HydrophobicContact CB-CB 3.97Å; L1365-C1370 HydrophobicContact CD2-CB 4.25Å; L1365-C1370 HydrophobicContact CG-CB 4.48Å; L1365-C1370 PolarHBondContact O-N 2.7Å; C1370-D1372 PolarHBondContact O-N 2.81Å; C1370-Q1373 PolarHBondContact O-N 2.66Å; C1370-A1374 PolarHBondContact O-N 2.96Å | ||
| 1371 | I | 86.7 | Confident | 88.9 | Confident | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.087 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | -166.1 | -54.3 | -49.7 | 0 | 0 | 0 | 113.2 | G1369 Q1373 A1374 I1375 L1390 H1394 | G1369-I1371 PolarHBondContact O-N 2.74Å; I1371-Q1373 VanDerWaalsContact C-N 3.34Å; I1371-Q1373 PolarHBondContact O-N 2.69Å; I1371-A1374 CarbonylContact O-C 3.54Å; I1371-A1374 WeakPolarHBondContact O-CB 3.26Å; I1371-A1374 PolarHBondContact O-N 3.04Å; I1371-A1374 VanDerWaalsContact O-N 3.15Å; I1371-I1375 HydrophobicContact CG2-CD1 3.82Å; I1371-I1375 HydrophobicContact CG2-CG1 4.32Å; I1371-I1375 WeakPolarHBondContact O-CG1 3.42Å; I1371-I1375 PolarHBondContact O-N 2.99Å; I1371-L1390 HydrophobicContact CD1-CD2 4.43Å; I1371-L1390 HydrophobicContact CG2-CD1 4.34Å; I1371-H1394 VanDerWaalsContact CD1-NE2 3.35Å; I1371-H1394 WeakPolarHBondContact CD1-NE2 3.12Å; I1371-H1394 HydrophobicContact CG2-CB 3.93Å |
| 1372 | D | 88.3 | Confident | 88.6 | Confident | 64 Ų | 64 | 52.9 Ų | 52.9 | 34% | 0.342 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.7 | -29.8 | -176.8 | -64 | -63.7 | 0 | 0 | 0 | 112.7 | C1370 R1376 R1396 | C1370-D1372 PolarHBondContact O-N 2.81Å; D1372-R1376 VanDerWaalsContact O-CG 3.27Å; D1372-R1376 WeakPolarHBondContact O-CG 3.45Å; D1372-R1376 PolarHBondContact O-N 2.72Å; D1372-R1396 IonicContact OD1-CZ 3.34Å; D1372-R1396 IonicContact OD1-NE 3.22Å; D1372-R1396 PolarHBondContact OD1-NE 3.29Å; D1372-R1396 IonicContact OD1-NH2 3.21Å; D1372-R1396 PolarHBondContact OD1-NH2 3.27Å; D1372-R1396 IonicContact OD2-CZ 2.7Å; D1372-R1396 IonicContact OD2-NE 2.63Å; D1372-R1396 IonicContact OD2-NH2 3.82Å; D1372-R1396 PolarHBondContact OD2-NH2 3.24Å |
| 1373 | Q | 87.5 | Confident | 88.5 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 28% | 0.276 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.3 | -43.2 | 167.8 | -70.6 | 175.1 | -73.9 | 0 | 0 | 110.7 | E1346 L1365 C1370 I1371 I1375 R1376 L1377 | E1346-Q1373 PolarHBondContact OE1-NE2 3.16Å; E1346-Q1373 PolarHBondContact OE2-NE2 3.09Å; L1365-Q1373 HydrophobicContact CD1-CB 3.58Å; L1365-Q1373 HydrophobicContact CD1-CG 4.45Å; C1370-Q1373 PolarHBondContact O-N 2.66Å; I1371-Q1373 VanDerWaalsContact C-N 3.34Å; I1371-Q1373 PolarHBondContact O-N 2.69Å; Q1373-I1375 VanDerWaalsContact C-N 3.34Å; Q1373-I1375 PolarHBondContact O-N 2.66Å; Q1373-R1376 PolarHBondContact O-N 3Å; Q1373-L1377 WeakPolarHBondContact O-CB 3.49Å; Q1373-L1377 WeakPolarHBondContact O-CD1 3.46Å; Q1373-L1377 VanDerWaalsContact O-CG 3.3Å; Q1373-L1377 WeakPolarHBondContact O-CG 3.3Å; Q1373-L1377 PolarHBondContact O-N 3.11Å |
| 1374 | A | 90.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1362 L1365 K1366 C1370 I1371 L1377 F1378 L1390 | G1362-A1374 VanDerWaalsContact O-CB 3.25Å; G1362-A1374 WeakPolarHBondContact O-CB 3.44Å; L1365-A1374 HydrophobicContact CB-CB 4.19Å; K1366-A1374 HydrophobicContact CB-CB 4.26Å; C1370-A1374 PolarHBondContact O-N 2.96Å; I1371-A1374 CarbonylContact O-C 3.54Å; I1371-A1374 WeakPolarHBondContact O-CB 3.26Å; I1371-A1374 PolarHBondContact O-N 3.04Å; I1371-A1374 VanDerWaalsContact O-N 3.15Å; A1374-L1377 PolarHBondContact O-N 2.62Å; A1374-F1378 HydrophobicContact CB-CE2 4.37Å; A1374-F1378 WeakPolarHBondContact O-CB 3.27Å; A1374-F1378 WeakPolarHBondContact O-CD2 3.43Å; A1374-F1378 WeakPolarHBondContact O-CG 3.44Å; A1374-F1378 PolarHBondContact O-N 3.38Å; A1374-L1390 HydrophobicContact CB-CD1 3.54Å |
| 1375 | I | 90 | Very high | 88.5 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -51.4 | 173.3 | -69.8 | 165.2 | 0 | 0 | 0 | 110.3 | I1371 Q1373 L1377 F1378 T1379 L1390 R1396 H1399 L1403 | I1371-I1375 HydrophobicContact CG2-CD1 3.82Å; I1371-I1375 HydrophobicContact CG2-CG1 4.32Å; I1371-I1375 WeakPolarHBondContact O-CG1 3.42Å; I1371-I1375 PolarHBondContact O-N 2.99Å; Q1373-I1375 VanDerWaalsContact C-N 3.34Å; Q1373-I1375 PolarHBondContact O-N 2.66Å; I1375-L1377 VanDerWaalsContact C-N 3.26Å; I1375-L1377 PolarHBondContact O-N 2.86Å; I1375-F1378 PolarHBondContact O-N 3.1Å; I1375-F1378 VanDerWaalsContact O-N 3.16Å; I1375-T1379 PolarHBondContact O-N 3.16Å; I1375-T1379 PolarHBondContact O-OG1 3.27Å; I1375-L1390 HydrophobicContact CD1-CB 4.38Å; I1375-L1390 HydrophobicContact CG1-CB 3.86Å; I1375-L1390 HydrophobicContact CG1-CD1 3.96Å; I1375-R1396 HydrophobicContact CD1-CB 4.05Å; I1375-R1396 HydrophobicContact CD1-CG 3.74Å; I1375-H1399 HydrophobicContact CG2-CB 4.29Å; I1375-L1403 HydrophobicContact CG2-CD1 4.23Å |
| 1376 | R | 89.4 | Confident | 88.5 | Confident | 178 Ų | 178 | 55.2 Ų | 55.2 | 67% | 0.672 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -53.7 | -44.5 | 177.1 | -72.5 | 169.1 | -174.7 | -171.5 | 1.7 | 112 | D1372 Q1373 T1379 R1380 | D1372-R1376 VanDerWaalsContact O-CG 3.27Å; D1372-R1376 WeakPolarHBondContact O-CG 3.45Å; D1372-R1376 PolarHBondContact O-N 2.72Å; Q1373-R1376 PolarHBondContact O-N 3Å; R1376-T1379 WeakPolarHBondContact O-CB 3.36Å; R1376-T1379 PolarHBondContact O-N 2.84Å; R1376-R1380 WeakPolarHBondContact O-CG 3.44Å; R1376-R1380 PolarHBondContact O-N 3.42Å |
| 1377 | L | 90.1 | Very high | 88.6 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.3 | -42.7 | 179.1 | -68.5 | 163.8 | 0 | 0 | 0 | 111.5 | C1349 C1358 L1361 L1365 Q1373 A1374 I1375 T1379 R1380 A1381 | C1349-L1377 HydrophobicContact CB-CD2 3.55Å; C1358-L1377 HydrophobicContact CB-CB 4.2Å; C1358-L1377 HydrophobicContact CB-CD2 4.16Å; C1358-L1377 WeakPolarHBondContact CB-O 3.05Å; C1358-L1377 WeakPolarHBondContact O-CB 3.32Å; L1361-L1377 HydrophobicContact CB-CD1 3.93Å; L1361-L1377 HydrophobicContact CD2-CD1 3.65Å; L1361-L1377 HydrophobicContact CD2-CD2 4.23Å; L1361-L1377 HydrophobicContact CG-CD1 3.59Å; L1365-L1377 HydrophobicContact CD1-CD1 3.66Å; Q1373-L1377 WeakPolarHBondContact O-CB 3.49Å; Q1373-L1377 WeakPolarHBondContact O-CD1 3.46Å; Q1373-L1377 VanDerWaalsContact O-CG 3.3Å; Q1373-L1377 WeakPolarHBondContact O-CG 3.3Å; Q1373-L1377 PolarHBondContact O-N 3.11Å; A1374-L1377 PolarHBondContact O-N 2.62Å; I1375-L1377 VanDerWaalsContact C-N 3.26Å; I1375-L1377 PolarHBondContact O-N 2.86Å; L1377-T1379 PolarHBondContact O-N 2.77Å; L1377-R1380 PolarHBondContact O-N 3.4Å; L1377-A1381 WeakPolarHBondContact O-CB 3.44Å; L1377-A1381 PolarHBondContact O-N 3.12Å |
| 1378 | F | 91.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.7 | -24.9 | 172.9 | -67.9 | -51.5 | 0 | 0 | 0 | 113.5 | H1359 N1363 A1374 I1375 A1381 A1383 S1386 A1387 L1390 | H1359-F1378 AromaticContact CE1-CD1 3.99Å; H1359-F1378 AromaticContact CE1-CE1 3.63Å; H1359-F1378 AromaticContact CG-CE1 3.94Å; H1359-F1378 AromaticContact ND1-CD1 3.46Å; H1359-F1378 WeakPolarHBondContact ND1-CD1 3.41Å; H1359-F1378 AromaticContact ND1-CE1 3.44Å; H1359-F1378 WeakPolarHBondContact ND1-CE1 3.35Å; H1359-F1378 VanDerWaalsContact O-CE1 3.26Å; H1359-F1378 WeakPolarHBondContact O-CE1 3.39Å; N1363-F1378 HydrophobicContact CB-CZ 4.29Å; N1363-F1378 VanDerWaalsContact N-CZ 3.33Å; N1363-F1378 WeakPolarHBondContact ND2-CE1 3.06Å; A1374-F1378 HydrophobicContact CB-CE2 4.37Å; A1374-F1378 WeakPolarHBondContact O-CB 3.27Å; A1374-F1378 WeakPolarHBondContact O-CD2 3.43Å; A1374-F1378 WeakPolarHBondContact O-CG 3.44Å; A1374-F1378 PolarHBondContact O-N 3.38Å; I1375-F1378 PolarHBondContact O-N 3.1Å; I1375-F1378 VanDerWaalsContact O-N 3.16Å; F1378-A1381 WeakPolarHBondContact O-CB 3.33Å; F1378-A1383 HydrophobicContact CD1-CB 4.45Å; F1378-A1383 PolarHBondContact O-N 2.81Å; F1378-A1383 VanDerWaalsContact O-N 3.1Å; F1378-S1386 WeakPolarHBondContact CD1-OG 3.28Å; F1378-S1386 WeakPolarHBondContact CG-OG 3.24Å; F1378-A1387 HydrophobicContact CB-CB 3.54Å; F1378-L1390 HydrophobicContact CD2-CD1 3.74Å; F1378-L1390 HydrophobicContact CD2-CG 4.34Å; F1378-L1390 HydrophobicContact CE2-CD1 3.58Å; F1378-L1390 HydrophobicContact CE2-CG 4.07Å |
| 1379 | T | 90 | Very high | 89 | Confident | 54 Ų | 54 | 45.2 Ų | 45.2 | 33% | 0.331 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.4 | -51.3 | 169.3 | -47.9 | 0 | 0 | 0 | 0 | 111.5 | I1375 R1376 L1377 A1381 K1382 L1403 | I1375-T1379 PolarHBondContact O-N 3.16Å; I1375-T1379 PolarHBondContact O-OG1 3.27Å; R1376-T1379 WeakPolarHBondContact O-CB 3.36Å; R1376-T1379 PolarHBondContact O-N 2.84Å; L1377-T1379 PolarHBondContact O-N 2.77Å; T1379-A1381 PolarHBondContact O-N 3.21Å; T1379-K1382 PolarHBondContact O-N 3.22Å; T1379-K1382 VanDerWaalsContact O-N 3.09Å; T1379-L1403 HydrophobicContact CG2-CD2 3.88Å; T1379-L1403 WeakPolarHBondContact OG1-CD2 3.21Å |
| 1380 | R | 88.7 | Confident | 89.2 | Confident | 77 Ų | 77 | 42.8 Ų | 42.8 | 29% | 0.291 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59 | -35.1 | 173.9 | -64.2 | -179.5 | 88.3 | 149.4 | 4.4 | 111.1 | N1350 D1353 C1358 R1376 L1377 K1382 | N1350-R1380 PolarHBondContact O-NH2 3.23Å; N1350-R1380 PolarHBondContact OD1-NH1 2.92Å; D1353-R1380 IonicContact OD1-CZ 2.65Å; D1353-R1380 VanDerWaalsContact OD1-CZ 3.27Å; D1353-R1380 IonicContact OD1-NE 2.7Å; D1353-R1380 PolarHBondContact OD1-NE 3.27Å; D1353-R1380 IonicContact OD1-NH2 2.7Å; D1353-R1380 PolarHBondContact OD1-NH2 3.47Å; D1353-R1380 IonicContact OD2-CZ 3.83Å; D1353-R1380 IonicContact OD2-NE 2.63Å; D1353-R1380 IonicContact OD2-NH2 3.56Å; D1353-R1380 PolarHBondContact OD2-NH2 3.45Å; C1358-R1380 HydrophobicContact CB-CB 4.01Å; R1376-R1380 WeakPolarHBondContact O-CG 3.44Å; R1376-R1380 PolarHBondContact O-N 3.42Å; L1377-R1380 PolarHBondContact O-N 3.4Å; R1380-K1382 PolarHBondContact O-N 3.41Å; R1380-K1382 VanDerWaalsContact O-N 3.08Å |
| 1381 | A | 88.1 | Confident | 89.3 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 7% | 0.066 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -11.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | P1355 C1358 H1359 L1377 F1378 T1379 A1383 | P1355-A1381 WeakPolarHBondContact CB-O 3.37Å; P1355-A1381 WeakPolarHBondContact O-CA 3.45Å; P1355-A1381 WeakPolarHBondContact O-CB 3.45Å; C1358-A1381 HydrophobicContact CB-CB 3.97Å; H1359-A1381 HydrophobicContact CB-CB 3.93Å; L1377-A1381 WeakPolarHBondContact O-CB 3.44Å; L1377-A1381 PolarHBondContact O-N 3.12Å; F1378-A1381 WeakPolarHBondContact O-CB 3.33Å; T1379-A1381 PolarHBondContact O-N 3.21Å; A1381-A1383 HydrophobicContact CB-CB 3.68Å; A1381-A1383 PolarHBondContact O-N 3.44Å |
| 1382 | K | 86.3 | Confident | 89.4 | Confident | 146 Ų | 146 | 40.7 Ų | 40.7 | 64% | 0.635 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 20.4 | -164.4 | -51.5 | -174.9 | -179.8 | 178.1 | 0 | 113 | T1379 R1380 Y1384 | T1379-K1382 PolarHBondContact O-N 3.22Å; T1379-K1382 VanDerWaalsContact O-N 3.09Å; R1380-K1382 PolarHBondContact O-N 3.41Å; R1380-K1382 VanDerWaalsContact O-N 3.08Å; K1382-Y1384 HydrophobicContact CB-CE2 3.83Å; K1382-Y1384 WeakPolarHBondContact O-CD2 3.06Å; K1382-Y1384 WeakPolarHBondContact O-CE2 3.4Å; K1382-Y1384 PolarHBondContact O-N 3.17Å; K1382-Y1384 VanDerWaalsContact O-N 3.1Å |
| 1383 | A | 89 | Confident | 89.4 | Confident | 18 Ų | 18 | 42.5 Ų | 42.5 | 15% | 0.149 | 19% | 0.194 | C | C | . | . | trans | -93.8 | 54.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | H1359 F1378 A1381 S1385 S1386 A1387 | H1359-A1383 WeakPolarHBondContact ND1-CB 3.47Å; F1378-A1383 HydrophobicContact CD1-CB 4.45Å; F1378-A1383 PolarHBondContact O-N 2.81Å; F1378-A1383 VanDerWaalsContact O-N 3.1Å; A1381-A1383 HydrophobicContact CB-CB 3.68Å; A1381-A1383 PolarHBondContact O-N 3.44Å; A1383-S1385 VanDerWaalsContact C-N 3.3Å; A1383-S1385 PolarHBondContact O-N 2.69Å; A1383-S1386 VanDerWaalsContact CB-OG 3.32Å; A1383-S1386 WeakPolarHBondContact CB-OG 3.24Å; A1383-S1386 PolarHBondContact O-N 2.69Å; A1383-S1386 PolarHBondContact O-OG 2.79Å; A1383-A1387 PolarHBondContact O-N 3.25Å | ||
| 1384 | Y | 90.7 | Very high | 89.4 | Confident | 46 Ų | 46 | 43.2 Ų | 43.2 | 18% | 0.18 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.7 | -43.2 | -163.4 | -55.1 | -63.9 | 0 | 0 | 0 | 112 | K1382 S1386 A1387 I1388 L1403 L1406 | K1382-Y1384 HydrophobicContact CB-CE2 3.83Å; K1382-Y1384 WeakPolarHBondContact O-CD2 3.06Å; K1382-Y1384 WeakPolarHBondContact O-CE2 3.4Å; K1382-Y1384 PolarHBondContact O-N 3.17Å; K1382-Y1384 VanDerWaalsContact O-N 3.1Å; Y1384-S1386 VanDerWaalsContact C-N 3.26Å; Y1384-S1386 PolarHBondContact O-N 2.97Å; Y1384-S1386 VanDerWaalsContact O-N 3.16Å; Y1384-A1387 WeakPolarHBondContact O-CB 3.26Å; Y1384-A1387 PolarHBondContact O-N 2.82Å; Y1384-I1388 WeakPolarHBondContact O-CB 3.44Å; Y1384-I1388 WeakPolarHBondContact O-CD1 3.1Å; Y1384-I1388 WeakPolarHBondContact O-CG1 3.01Å; Y1384-I1388 PolarHBondContact O-N 3.1Å; Y1384-L1403 HydrophobicContact CD1-CD2 3.88Å; Y1384-L1403 HydrophobicContact CE1-CD2 4.48Å; Y1384-L1406 HydrophobicContact CD1-CB 3.71Å; Y1384-L1406 HydrophobicContact CD1-CD1 4.12Å; Y1384-L1406 VanDerWaalsContact CD2-C 3.47Å; Y1384-L1406 HydrophobicContact CD2-CB 3.78Å; Y1384-L1406 WeakPolarHBondContact CD2-O 3.25Å; Y1384-L1406 HydrophobicContact CE1-CB 3.61Å; Y1384-L1406 HydrophobicContact CE1-CD1 3.53Å; Y1384-L1406 HydrophobicContact CE1-CG 4.21Å; Y1384-L1406 HydrophobicContact CE2-CB 3.67Å; Y1384-L1406 VanDerWaalsContact CE2-O 3.29Å; Y1384-L1406 WeakPolarHBondContact CE2-O 3.27Å; Y1384-L1406 HydrophobicContact CG-CB 3.79Å |
| 1385 | S | 89 | Confident | 89.2 | Confident | 60 Ų | 60 | 47.9 Ų | 47.9 | 42% | 0.42 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -47 | -42.2 | 172 | 63.7 | 0 | 0 | 0 | 0 | 114.7 | A1383 R1389 D1411 | A1383-S1385 VanDerWaalsContact C-N 3.3Å; A1383-S1385 PolarHBondContact O-N 2.69Å; S1385-R1389 WeakPolarHBondContact O-CB 3.26Å; S1385-R1389 PolarHBondContact O-N 3.25Å; S1385-D1411 WeakPolarHBondContact CA-OD1 3.23Å; S1385-D1411 WeakPolarHBondContact CB-OD1 3.26Å |
| 1386 | S | 89.1 | Confident | 89 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -78.6 | -33.2 | 179.3 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | H1359 F1378 A1383 Y1384 L1390 | H1359-S1386 PolarHBondContact CE1-OG 2.97Å; H1359-S1386 VanDerWaalsContact CE1-OG 3.3Å; H1359-S1386 PolarHBondContact ND1-OG 3.45Å; F1378-S1386 WeakPolarHBondContact CD1-OG 3.28Å; F1378-S1386 WeakPolarHBondContact CG-OG 3.24Å; A1383-S1386 VanDerWaalsContact CB-OG 3.32Å; A1383-S1386 WeakPolarHBondContact CB-OG 3.24Å; A1383-S1386 PolarHBondContact O-N 2.69Å; A1383-S1386 PolarHBondContact O-OG 2.79Å; Y1384-S1386 VanDerWaalsContact C-N 3.26Å; Y1384-S1386 PolarHBondContact O-N 2.97Å; Y1384-S1386 VanDerWaalsContact O-N 3.16Å; S1386-L1390 PolarHBondContact O-N 3.34Å |
| 1387 | A | 90.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.4 | -45.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F1378 A1383 Y1384 L1390 C1391 L1403 | F1378-A1387 HydrophobicContact CB-CB 3.54Å; A1383-A1387 PolarHBondContact O-N 3.25Å; Y1384-A1387 WeakPolarHBondContact O-CB 3.26Å; Y1384-A1387 PolarHBondContact O-N 2.82Å; A1387-L1390 WeakPolarHBondContact O-CB 3.27Å; A1387-L1390 PolarHBondContact O-N 3.48Å; A1387-C1391 PolarHBondContact O-N 2.62Å; A1387-C1391 PolarHBondContact O-SG 2.92Å; A1387-L1403 HydrophobicContact CB-CD1 3.47Å; A1387-L1403 VanDerWaalsContact CB-CD1 3.47Å; A1387-L1403 HydrophobicContact CB-CD2 3.84Å; A1387-L1403 HydrophobicContact CB-CG 4.19Å |
| 1388 | I | 90.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.9 | -51.3 | 174.6 | -77.6 | 166.5 | 0 | 0 | 0 | 110.4 | Y1384 L1390 C1391 K1392 L1400 L1403 A1404 D1411 S1415 | Y1384-I1388 WeakPolarHBondContact O-CB 3.44Å; Y1384-I1388 WeakPolarHBondContact O-CD1 3.1Å; Y1384-I1388 WeakPolarHBondContact O-CG1 3.01Å; Y1384-I1388 PolarHBondContact O-N 3.1Å; I1388-L1390 PolarHBondContact O-N 2.66Å; I1388-C1391 PolarHBondContact O-N 3.05Å; I1388-C1391 VanDerWaalsContact O-N 3.09Å; I1388-K1392 HydrophobicContact CG2-CD 4.42Å; I1388-K1392 VanDerWaalsContact CG2-CE 3.4Å; I1388-K1392 WeakPolarHBondContact O-CG 3.28Å; I1388-K1392 PolarHBondContact O-N 3.23Å; I1388-L1400 HydrophobicContact CB-CD1 4.07Å; I1388-L1400 HydrophobicContact CG1-CD1 4.12Å; I1388-L1400 HydrophobicContact CG2-CD1 3.69Å; I1388-L1403 HydrophobicContact CD1-CB 4.35Å; I1388-L1403 HydrophobicContact CG1-CB 3.72Å; I1388-A1404 HydrophobicContact CD1-CB 4.16Å; I1388-D1411 HydrophobicContact CD1-CB 3.74Å; I1388-S1415 WeakPolarHBondContact CG2-OG 3.3Å |
| 1389 | R | 89.7 | Confident | 88.2 | Confident | 108 Ų | 108 | 52.8 Ų | 52.8 | 41% | 0.408 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 176.7 | -173.4 | -177.4 | 60 | -149.4 | -15.4 | 112 | S1385 C1391 K1392 E1393 | S1385-R1389 WeakPolarHBondContact O-CB 3.26Å; S1385-R1389 PolarHBondContact O-N 3.25Å; R1389-C1391 VanDerWaalsContact C-N 3.28Å; R1389-C1391 PolarHBondContact O-N 3.15Å; R1389-K1392 WeakPolarHBondContact O-CB 3.29Å; R1389-K1392 PolarHBondContact O-N 3.38Å; R1389-K1392 VanDerWaalsContact O-N 3.15Å; R1389-E1393 VanDerWaalsContact CD-OE1 3.29Å; R1389-E1393 WeakPolarHBondContact CD-OE1 3.36Å; R1389-E1393 HydrophobicContact CG-CG 4.24Å; R1389-E1393 VanDerWaalsContact CG-OE1 3.29Å; R1389-E1393 WeakPolarHBondContact CG-OE1 3.47Å; R1389-E1393 IonicContact NE-OE1 3.93Å; R1389-E1393 WeakPolarHBondContact O-CB 3.13Å; R1389-E1393 WeakPolarHBondContact O-CG 3.01Å; R1389-E1393 PolarHBondContact O-N 2.99Å |
| 1390 | L | 90.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.4 | -39.3 | 173.7 | -85.6 | -165.3 | 0 | 0 | 0 | 112.6 | K1366 I1371 A1374 I1375 F1378 S1386 A1387 I1388 K1392 E1393 H1394 | K1366-L1390 HydrophobicContact CB-CD1 4.43Å; K1366-L1390 HydrophobicContact CB-CD2 4.38Å; K1366-L1390 HydrophobicContact CD-CD2 3.75Å; K1366-L1390 HydrophobicContact CD-CG 4.46Å; K1366-L1390 HydrophobicContact CG-CD2 3.81Å; I1371-L1390 HydrophobicContact CD1-CD2 4.43Å; I1371-L1390 HydrophobicContact CG2-CD1 4.34Å; A1374-L1390 HydrophobicContact CB-CD1 3.54Å; I1375-L1390 HydrophobicContact CD1-CB 4.38Å; I1375-L1390 HydrophobicContact CG1-CB 3.86Å; I1375-L1390 HydrophobicContact CG1-CD1 3.96Å; F1378-L1390 HydrophobicContact CD2-CD1 3.74Å; F1378-L1390 HydrophobicContact CD2-CG 4.34Å; F1378-L1390 HydrophobicContact CE2-CD1 3.58Å; F1378-L1390 HydrophobicContact CE2-CG 4.07Å; S1386-L1390 PolarHBondContact O-N 3.34Å; A1387-L1390 WeakPolarHBondContact O-CB 3.27Å; A1387-L1390 PolarHBondContact O-N 3.48Å; I1388-L1390 PolarHBondContact O-N 2.66Å; L1390-K1392 VanDerWaalsContact C-N 3.26Å; L1390-K1392 PolarHBondContact O-N 3.37Å; L1390-E1393 PolarHBondContact O-N 3.46Å; L1390-H1394 PolarHBondContact O-CD2 2.93Å; L1390-H1394 PolarHBondContact O-N 2.65Å |
| 1391 | C | 90.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.9 | -28.5 | 179.3 | -63.9 | 0 | 0 | 0 | 0 | 112.3 | A1387 I1388 R1389 N1395 R1396 L1400 | A1387-C1391 PolarHBondContact O-N 2.62Å; A1387-C1391 PolarHBondContact O-SG 2.92Å; I1388-C1391 PolarHBondContact O-N 3.05Å; I1388-C1391 VanDerWaalsContact O-N 3.09Å; R1389-C1391 VanDerWaalsContact C-N 3.28Å; R1389-C1391 PolarHBondContact O-N 3.15Å; C1391-N1395 CarbonylContact O-C 3.58Å; C1391-N1395 WeakPolarHBondContact O-CA 3.45Å; C1391-N1395 PolarHBondContact O-N 2.92Å; C1391-N1395 VanDerWaalsContact O-N 3.08Å; C1391-R1396 HydrophobicContact CB-CB 4Å; C1391-R1396 PolarHBondContact O-N 2.8Å; C1391-L1400 HydrophobicContact CB-CB 3.7Å; C1391-L1400 HydrophobicContact CB-CD1 4.33Å; C1391-L1400 HydrophobicContact CB-CG 4.48Å |
| 1392 | K | 89 | Confident | 88.1 | Confident | 23 Ų | 23 | 50.9 Ų | 50.9 | 10% | 0.1 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.7 | -56.9 | 169.5 | -62.3 | 173.9 | -167.3 | 177 | 0 | 111 | I1388 R1389 L1390 H1394 N1395 L1400 E1414 S1415 H1418 | I1388-K1392 HydrophobicContact CG2-CD 4.42Å; I1388-K1392 VanDerWaalsContact CG2-CE 3.4Å; I1388-K1392 WeakPolarHBondContact O-CG 3.28Å; I1388-K1392 PolarHBondContact O-N 3.23Å; R1389-K1392 WeakPolarHBondContact O-CB 3.29Å; R1389-K1392 PolarHBondContact O-N 3.38Å; R1389-K1392 VanDerWaalsContact O-N 3.15Å; L1390-K1392 VanDerWaalsContact C-N 3.26Å; L1390-K1392 PolarHBondContact O-N 3.37Å; K1392-H1394 PolarHBondContact O-N 2.69Å; K1392-N1395 PolarHBondContact O-N 3.18Å; K1392-N1395 VanDerWaalsContact O-N 3.16Å; K1392-L1400 HydrophobicContact CG-CD1 4.06Å; K1392-L1400 HydrophobicContact CG-CD2 3.73Å; K1392-E1414 PolarHBondContact NZ-O 2.73Å; K1392-E1414 IonicContact NZ-OE2 2.6Å; K1392-E1414 PolarHBondContact NZ-OE2 3.44Å; K1392-S1415 PolarHBondContact NZ-OG 3.11Å; K1392-H1418 HydrophobicContact CD-CB 3.99Å; K1392-H1418 HydrophobicContact CG-CB 4.04Å |
| 1393 | E | 88.3 | Confident | 88.2 | Confident | 101 Ų | 101 | 44 Ų | 44 | 47% | 0.472 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -53.1 | -29 | -179.4 | -71.9 | 169 | 172.4 | 0 | 0 | 113 | R1389 L1390 | R1389-E1393 VanDerWaalsContact CD-OE1 3.29Å; R1389-E1393 WeakPolarHBondContact CD-OE1 3.36Å; R1389-E1393 HydrophobicContact CG-CG 4.24Å; R1389-E1393 VanDerWaalsContact CG-OE1 3.29Å; R1389-E1393 WeakPolarHBondContact CG-OE1 3.47Å; R1389-E1393 IonicContact NE-OE1 3.93Å; R1389-E1393 WeakPolarHBondContact O-CB 3.13Å; R1389-E1393 WeakPolarHBondContact O-CG 3.01Å; R1389-E1393 PolarHBondContact O-N 2.99Å; L1390-E1393 PolarHBondContact O-N 3.46Å |
| 1394 | H | 87.2 | Confident | 88.1 | Confident | 75 Ų | 75 | 43.2 Ų | 43.2 | 35% | 0.347 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | 20.2 | -178.5 | -60.3 | -78.3 | 0 | 0 | 0 | 115.4 | I1371 L1390 K1392 R1396 | I1371-H1394 VanDerWaalsContact CD1-NE2 3.35Å; I1371-H1394 WeakPolarHBondContact CD1-NE2 3.12Å; I1371-H1394 HydrophobicContact CG2-CB 3.93Å; L1390-H1394 PolarHBondContact O-CD2 2.93Å; L1390-H1394 PolarHBondContact O-N 2.65Å; K1392-H1394 PolarHBondContact O-N 2.69Å; H1394-R1396 VanDerWaalsContact C-N 3.26Å; H1394-R1396 PolarHBondContact O-N 3.12Å; H1394-R1396 PolarHBondContact O-NH1 3.22Å |
| 1395 | N | 85.4 | Confident | 88 | Confident | 97 Ų | 97 | 44.1 Ų | 44.1 | 52% | 0.519 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 32.1 | 175.9 | -59.3 | -78.9 | 0 | 0 | 0 | 115.4 | C1391 K1392 N1397 Y1422 | C1391-N1395 CarbonylContact O-C 3.58Å; C1391-N1395 WeakPolarHBondContact O-CA 3.45Å; C1391-N1395 PolarHBondContact O-N 2.92Å; C1391-N1395 VanDerWaalsContact O-N 3.08Å; K1392-N1395 PolarHBondContact O-N 3.18Å; K1392-N1395 VanDerWaalsContact O-N 3.16Å; N1395-N1397 PolarHBondContact O-N 3.49Å; N1395-Y1422 PolarHBondContact OD1-OH 3.38Å |
| 1396 | R | 86.6 | Confident | 87.9 | Confident | 95 Ų | 95 | 45.9 Ų | 45.9 | 36% | 0.358 | 22% | 0.221 | S | C | . | . | trans | -84.1 | 57.6 | 176.7 | -62.9 | -65.9 | -165 | -100 | 5.4 | 111 | D1372 I1375 C1391 H1394 D1398 H1399 L1400 | D1372-R1396 IonicContact OD1-CZ 3.34Å; D1372-R1396 IonicContact OD1-NE 3.22Å; D1372-R1396 PolarHBondContact OD1-NE 3.29Å; D1372-R1396 IonicContact OD1-NH2 3.21Å; D1372-R1396 PolarHBondContact OD1-NH2 3.27Å; D1372-R1396 IonicContact OD2-CZ 2.7Å; D1372-R1396 IonicContact OD2-NE 2.63Å; D1372-R1396 IonicContact OD2-NH2 3.82Å; D1372-R1396 PolarHBondContact OD2-NH2 3.24Å; I1375-R1396 HydrophobicContact CD1-CB 4.05Å; I1375-R1396 HydrophobicContact CD1-CG 3.74Å; C1391-R1396 HydrophobicContact CB-CB 4Å; C1391-R1396 PolarHBondContact O-N 2.8Å; H1394-R1396 VanDerWaalsContact C-N 3.26Å; H1394-R1396 PolarHBondContact O-N 3.12Å; H1394-R1396 PolarHBondContact O-NH1 3.22Å; R1396-D1398 VanDerWaalsContact C-N 3.29Å; R1396-D1398 PolarHBondContact O-N 2.81Å; R1396-H1399 HydrophobicContact CB-CB 4.45Å; R1396-H1399 PolarHBondContact O-N 3.14Å; R1396-H1399 VanDerWaalsContact O-N 3.1Å; R1396-L1400 PolarHBondContact O-N 2.83Å | ||
| 1397 | N | 85.7 | Confident | 87.6 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.5 | -26.4 | -166 | -70 | -8.8 | 0 | 0 | 0 | 114.7 | N1395 L1400 F1401 L1419 Y1422 Y1425 | N1395-N1397 PolarHBondContact O-N 3.49Å; N1397-L1400 WeakPolarHBondContact O-CB 3.2Å; N1397-L1400 PolarHBondContact O-N 2.76Å; N1397-F1401 PolarHBondContact O-N 2.95Å; N1397-L1419 HydrophobicContact CB-CD2 3.83Å; N1397-Y1422 WeakPolarHBondContact ND2-CD1 3.42Å; N1397-Y1422 WeakPolarHBondContact ND2-CE1 3.5Å; N1397-Y1425 HydrophobicContact CB-CD1 3.59Å; N1397-Y1425 HydrophobicContact CB-CD2 4.06Å; N1397-Y1425 HydrophobicContact CB-CE1 3.26Å; N1397-Y1425 HydrophobicContact CB-CE2 3.76Å; N1397-Y1425 HydrophobicContact CB-CG 4.01Å; N1397-Y1425 WeakPolarHBondContact O-CE1 3.35Å |
| 1398 | D | 82 | Confident | 87.4 | Confident | 96 Ų | 96 | 55.2 Ų | 55.2 | 51% | 0.513 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.2 | -40.6 | 173.9 | -75.7 | -45.4 | 0 | 0 | 0 | 112.8 | R1396 S1402 Y1425 K1428 | R1396-D1398 VanDerWaalsContact C-N 3.29Å; R1396-D1398 PolarHBondContact O-N 2.81Å; D1398-S1402 PolarHBondContact O-N 2.75Å; D1398-Y1425 WeakPolarHBondContact OD1-CE1 3.1Å; D1398-Y1425 PolarHBondContact OD1-OH 3.34Å; D1398-Y1425 PolarHBondContact OD2-OH 3.22Å; D1398-K1428 IonicContact OD1-NZ 3.35Å; D1398-K1428 PolarHBondContact OD1-NZ 3.3Å |
| 1399 | H | 85.8 | Confident | 87.1 | Confident | 91 Ų | 91 | 58 Ų | 58 | 42% | 0.421 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.2 | -40 | 170.5 | -64.7 | -39.2 | 0 | 0 | 0 | 110.6 | I1375 R1396 F1401 S1402 L1403 | I1375-H1399 HydrophobicContact CG2-CB 4.29Å; R1396-H1399 HydrophobicContact CB-CB 4.45Å; R1396-H1399 PolarHBondContact O-N 3.14Å; R1396-H1399 VanDerWaalsContact O-N 3.1Å; H1399-F1401 VanDerWaalsContact C-N 3.33Å; H1399-F1401 PolarHBondContact O-N 2.58Å; H1399-S1402 PolarHBondContact O-N 2.83Å; H1399-S1402 PolarHBondContact O-OG 3.49Å; H1399-S1402 VanDerWaalsContact O-OG 3.05Å; H1399-L1403 HydrophobicContact CB-CD1 4.12Å; H1399-L1403 WeakPolarHBondContact O-CB 3.39Å; H1399-L1403 VanDerWaalsContact O-CD1 3.28Å; H1399-L1403 WeakPolarHBondContact O-CD1 3.29Å; H1399-L1403 WeakPolarHBondContact O-CG 3.43Å; H1399-L1403 PolarHBondContact O-N 3.41Å |
| 1400 | L | 88.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -51.6 | -48.4 | 177.6 | 179.5 | 50.3 | 0 | 0 | 0 | 112.4 | I1388 C1391 K1392 R1396 N1397 A1404 S1415 H1418 L1419 | I1388-L1400 HydrophobicContact CB-CD1 4.07Å; I1388-L1400 HydrophobicContact CG1-CD1 4.12Å; I1388-L1400 HydrophobicContact CG2-CD1 3.69Å; C1391-L1400 HydrophobicContact CB-CB 3.7Å; C1391-L1400 HydrophobicContact CB-CD1 4.33Å; C1391-L1400 HydrophobicContact CB-CG 4.48Å; K1392-L1400 HydrophobicContact CG-CD1 4.06Å; K1392-L1400 HydrophobicContact CG-CD2 3.73Å; R1396-L1400 PolarHBondContact O-N 2.83Å; N1397-L1400 WeakPolarHBondContact O-CB 3.2Å; N1397-L1400 PolarHBondContact O-N 2.76Å; L1400-A1404 WeakPolarHBondContact O-CB 3.36Å; L1400-A1404 PolarHBondContact O-N 3.39Å; L1400-S1415 WeakPolarHBondContact CD1-OG 2.98Å; L1400-H1418 HydrophobicContact CD2-CB 4.27Å; L1400-H1418 WeakPolarHBondContact CD2-ND1 3.4Å; L1400-L1419 HydrophobicContact CB-CD2 4.43Å; L1400-L1419 HydrophobicContact CD2-CD2 3.57Å; L1400-L1419 HydrophobicContact CD2-CG 4Å; L1400-L1419 HydrophobicContact CG-CD1 4.5Å; L1400-L1419 HydrophobicContact CG-CD2 4.05Å; L1400-L1419 HydrophobicContact CG-CG 4.26Å |
| 1401 | F | 87.3 | Confident | 87 | Confident | 41 Ų | 41 | 59.2 Ų | 59.2 | 18% | 0.18 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.9 | -46.3 | 178.7 | 173.8 | -121.1 | 0 | 0 | 0 | 113.2 | N1397 H1399 L1403 A1404 Q1405 L1419 K1428 L1431 L1432 | N1397-F1401 PolarHBondContact O-N 2.95Å; H1399-F1401 VanDerWaalsContact C-N 3.33Å; H1399-F1401 PolarHBondContact O-N 2.58Å; F1401-L1403 VanDerWaalsContact C-N 3.28Å; F1401-L1403 PolarHBondContact O-N 3.46Å; F1401-A1404 PolarHBondContact O-N 3.35Å; F1401-Q1405 HydrophobicContact CD2-CG 4.49Å; F1401-Q1405 VanDerWaalsContact CE1-NE2 3.3Å; F1401-Q1405 HydrophobicContact CE2-CG 4.26Å; F1401-Q1405 PolarHBondContact O-N 3.04Å; F1401-L1419 HydrophobicContact CB-CD1 4.16Å; F1401-K1428 HydrophobicContact CB-CB 4.11Å; F1401-K1428 HydrophobicContact CB-CD 3.96Å; F1401-K1428 HydrophobicContact CB-CG 4.2Å; F1401-K1428 HydrophobicContact CD1-CB 4.28Å; F1401-K1428 HydrophobicContact CD1-CD 3.91Å; F1401-K1428 HydrophobicContact CD1-CG 3.71Å; F1401-K1428 HydrophobicContact CD2-CB 3.38Å; F1401-K1428 HydrophobicContact CD2-CD 4.47Å; F1401-K1428 HydrophobicContact CD2-CG 3.77Å; F1401-K1428 HydrophobicContact CE1-CD 4.44Å; F1401-K1428 HydrophobicContact CE1-CG 3.84Å; F1401-K1428 HydrophobicContact CE2-CB 3.67Å; F1401-K1428 HydrophobicContact CE2-CG 3.89Å; F1401-K1428 HydrophobicContact CG-CB 3.68Å; F1401-K1428 HydrophobicContact CG-CD 3.88Å; F1401-K1428 HydrophobicContact CG-CG 3.63Å; F1401-K1428 HydrophobicContact CZ-CB 4.21Å; F1401-K1428 HydrophobicContact CZ-CG 3.9Å; F1401-L1431 HydrophobicContact CE2-CB 4.49Å; F1401-L1431 HydrophobicContact CE2-CD2 4.04Å; F1401-L1431 HydrophobicContact CZ-CD2 3.84Å; F1401-L1432 HydrophobicContact CD2-CD1 4.09Å; F1401-L1432 HydrophobicContact CD2-CG 4.22Å; F1401-L1432 HydrophobicContact CE2-CG 4.44Å |
| 1402 | S | 88.1 | Confident | 87 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 41% | 0.406 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.7 | -31.9 | -179 | 64.3 | 0 | 0 | 0 | 0 | 112.5 | D1398 H1399 | D1398-S1402 PolarHBondContact O-N 2.75Å; H1399-S1402 PolarHBondContact O-N 2.83Å; H1399-S1402 PolarHBondContact O-OG 3.49Å; H1399-S1402 VanDerWaalsContact O-OG 3.05Å |
| 1403 | L | 88.4 | Confident | 87.1 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -76.4 | -40.6 | 175 | -66.1 | 163 | 0 | 0 | 0 | 112.3 | I1375 T1379 Y1384 A1387 I1388 H1399 F1401 Q1405 L1406 G1407 | I1375-L1403 HydrophobicContact CG2-CD1 4.23Å; T1379-L1403 HydrophobicContact CG2-CD2 3.88Å; T1379-L1403 WeakPolarHBondContact OG1-CD2 3.21Å; Y1384-L1403 HydrophobicContact CD1-CD2 3.88Å; Y1384-L1403 HydrophobicContact CE1-CD2 4.48Å; A1387-L1403 HydrophobicContact CB-CD1 3.47Å; A1387-L1403 VanDerWaalsContact CB-CD1 3.47Å; A1387-L1403 HydrophobicContact CB-CD2 3.84Å; A1387-L1403 HydrophobicContact CB-CG 4.19Å; I1388-L1403 HydrophobicContact CD1-CB 4.35Å; I1388-L1403 HydrophobicContact CG1-CB 3.72Å; H1399-L1403 HydrophobicContact CB-CD1 4.12Å; H1399-L1403 WeakPolarHBondContact O-CB 3.39Å; H1399-L1403 VanDerWaalsContact O-CD1 3.28Å; H1399-L1403 WeakPolarHBondContact O-CD1 3.29Å; H1399-L1403 WeakPolarHBondContact O-CG 3.43Å; H1399-L1403 PolarHBondContact O-N 3.41Å; F1401-L1403 VanDerWaalsContact C-N 3.28Å; F1401-L1403 PolarHBondContact O-N 3.46Å; L1403-Q1405 VanDerWaalsContact C-N 3.29Å; L1403-Q1405 PolarHBondContact O-N 3.04Å; L1403-L1406 PolarHBondContact O-N 2.84Å; L1403-G1407 PolarHBondContact O-N 3.47Å; L1403-G1407 VanDerWaalsContact O-N 3.14Å |
| 1404 | A | 88.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.8 | -38.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1388 L1400 F1401 L1406 G1407 M1412 L1432 | I1388-A1404 HydrophobicContact CD1-CB 4.16Å; L1400-A1404 WeakPolarHBondContact O-CB 3.36Å; L1400-A1404 PolarHBondContact O-N 3.39Å; F1401-A1404 PolarHBondContact O-N 3.35Å; A1404-L1406 PolarHBondContact O-N 3.01Å; A1404-L1406 VanDerWaalsContact O-N 3.16Å; A1404-G1407 PolarHBondContact O-N 2.78Å; A1404-G1407 VanDerWaalsContact O-N 3.13Å; A1404-M1412 WeakPolarHBondContact O-CG 3.4Å; A1404-L1432 HydrophobicContact CB-CD1 3.56Å; A1404-L1432 HydrophobicContact CB-CD2 3.52Å; A1404-L1432 HydrophobicContact CB-CG 4.21Å |
| 1405 | Q | 86.8 | Confident | 87.2 | Confident | 65 Ų | 65 | 57 Ų | 57 | 30% | 0.304 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -17.3 | 173.8 | -70.2 | -164 | 59.9 | 0 | 0 | 114.7 | F1401 L1403 L1432 | F1401-Q1405 HydrophobicContact CD2-CG 4.49Å; F1401-Q1405 VanDerWaalsContact CE1-NE2 3.3Å; F1401-Q1405 HydrophobicContact CE2-CG 4.26Å; F1401-Q1405 PolarHBondContact O-N 3.04Å; L1403-Q1405 VanDerWaalsContact C-N 3.29Å; L1403-Q1405 PolarHBondContact O-N 3.04Å; Q1405-L1432 HydrophobicContact CG-CD2 4.04Å |
| 1406 | L | 87.1 | Confident | 87.5 | Confident | 98 Ų | 98 | 52.4 Ų | 52.4 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -12.3 | 177.6 | -57.8 | 171.5 | 0 | 0 | 0 | 112.6 | Y1384 L1403 A1404 | Y1384-L1406 HydrophobicContact CD1-CB 3.71Å; Y1384-L1406 HydrophobicContact CD1-CD1 4.12Å; Y1384-L1406 VanDerWaalsContact CD2-C 3.47Å; Y1384-L1406 HydrophobicContact CD2-CB 3.78Å; Y1384-L1406 WeakPolarHBondContact CD2-O 3.25Å; Y1384-L1406 HydrophobicContact CE1-CB 3.61Å; Y1384-L1406 HydrophobicContact CE1-CD1 3.53Å; Y1384-L1406 HydrophobicContact CE1-CG 4.21Å; Y1384-L1406 HydrophobicContact CE2-CB 3.67Å; Y1384-L1406 VanDerWaalsContact CE2-O 3.29Å; Y1384-L1406 WeakPolarHBondContact CE2-O 3.27Å; Y1384-L1406 HydrophobicContact CG-CB 3.79Å; L1403-L1406 PolarHBondContact O-N 2.84Å; A1404-L1406 PolarHBondContact O-N 3.01Å; A1404-L1406 VanDerWaalsContact O-N 3.16Å |
| 1407 | G | 82.9 | Confident | 87.6 | Confident | 17 Ų | 17 | 53.2 Ų | 53.2 | 18% | 0.175 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -80.6 | -169.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1403 A1404 | L1403-G1407 PolarHBondContact O-N 3.47Å; L1403-G1407 VanDerWaalsContact O-N 3.14Å; A1404-G1407 PolarHBondContact O-N 2.78Å; A1404-G1407 VanDerWaalsContact O-N 3.13Å |
| 1408 | R | 86 | Confident | 87.8 | Confident | 185 Ų | 185 | 54.5 Ų | 54.5 | 70% | 0.698 | 27% | 0.273 | S | S | * | . | trans | -77.8 | 166.9 | 172.7 | -60.8 | 178.8 | 178.6 | -176.7 | -1.5 | 111 | D1410 D1411 M1412 | R1408-D1410 PolarHBondContact O-N 3.4Å; R1408-D1411 PolarHBondContact N-OD2 3.29Å; R1408-D1411 WeakPolarHBondContact O-CB 3.22Å; R1408-D1411 PolarHBondContact O-N 2.88Å; R1408-M1412 WeakPolarHBondContact O-CG 3.39Å; R1408-M1412 PolarHBondContact O-N 3.22Å | ||
| 1409 | S | 86.1 | Confident | 88.1 | Confident | 59 Ų | 59 | 50 Ų | 50 | 41% | 0.413 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -52.3 | -42.5 | 169.9 | 46.2 | 0 | 0 | 0 | 0 | 112.2 | D1411 M1412 L1413 A1436 | S1409-D1411 PolarHBondContact O-N 3.04Å; S1409-M1412 WeakPolarHBondContact O-CB 3.19Å; S1409-M1412 PolarHBondContact O-N 3.38Å; S1409-L1413 WeakPolarHBondContact O-CG 3.37Å; S1409-L1413 PolarHBondContact O-N 3.05Å; S1409-A1436 WeakPolarHBondContact O-CB 3.3Å |
| 1410 | D | 88.2 | Confident | 88.2 | Confident | 109 Ų | 109 | 49.8 Ų | 49.8 | 58% | 0.583 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.5 | -41.8 | 175 | -60.8 | -51.8 | 0 | 0 | 0 | 112.9 | R1408 M1412 L1413 E1414 | R1408-D1410 PolarHBondContact O-N 3.4Å; D1410-M1412 VanDerWaalsContact C-N 3.33Å; D1410-L1413 PolarHBondContact O-N 2.77Å; D1410-E1414 PolarHBondContact O-N 3.29Å |
| 1411 | D | 89.2 | Confident | 88.1 | Confident | 24 Ų | 24 | 55.5 Ų | 55.5 | 13% | 0.128 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 176.7 | -63.9 | -45 | 0 | 0 | 0 | 110.8 | S1385 I1388 R1408 S1409 S1415 | S1385-D1411 WeakPolarHBondContact CA-OD1 3.23Å; S1385-D1411 WeakPolarHBondContact CB-OD1 3.26Å; I1388-D1411 HydrophobicContact CD1-CB 3.74Å; R1408-D1411 PolarHBondContact N-OD2 3.29Å; R1408-D1411 WeakPolarHBondContact O-CB 3.22Å; R1408-D1411 PolarHBondContact O-N 2.88Å; S1409-D1411 PolarHBondContact O-N 3.04Å; D1411-S1415 WeakPolarHBondContact O-CB 3.34Å; D1411-S1415 PolarHBondContact O-N 3.26Å; D1411-S1415 PolarHBondContact O-OG 3.28Å |
| 1412 | M | 90.4 | Very high | 88.1 | Confident | 20 Ų | 20 | 56.6 Ų | 56.6 | 10% | 0.099 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 173.6 | -67.1 | 178.3 | -167.3 | 0 | 0 | 111 | A1404 R1408 S1409 D1410 S1415 A1416 L1432 K1435 A1436 | A1404-M1412 WeakPolarHBondContact O-CG 3.4Å; R1408-M1412 WeakPolarHBondContact O-CG 3.39Å; R1408-M1412 PolarHBondContact O-N 3.22Å; S1409-M1412 WeakPolarHBondContact O-CB 3.19Å; S1409-M1412 PolarHBondContact O-N 3.38Å; D1410-M1412 VanDerWaalsContact C-N 3.33Å; M1412-S1415 PolarHBondContact O-N 2.62Å; M1412-A1416 WeakPolarHBondContact O-CB 3.44Å; M1412-A1416 PolarHBondContact O-N 2.95Å; M1412-L1432 HydrophobicContact CB-CB 4.35Å; M1412-L1432 HydrophobicContact CB-CD2 4.08Å; M1412-L1432 HydrophobicContact CG-CD2 3.87Å; M1412-K1435 HydrophobicContact CE-CB 4.47Å; M1412-K1435 HydrophobicContact SD-CB 3.57Å; M1412-K1435 VanDerWaalsContact SD-CB 3.57Å; M1412-A1436 HydrophobicContact CB-CB 3.84Å |
| 1413 | L | 89.8 | Confident | 87.7 | Confident | 25 Ų | 25 | 58.4 Ų | 58.4 | 13% | 0.131 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.5 | -47.3 | 178 | -70.3 | -179.3 | 0 | 0 | 0 | 113.3 | S1409 D1410 S1415 A1416 K1417 Y1433 A1436 K1438 | S1409-L1413 WeakPolarHBondContact O-CG 3.37Å; S1409-L1413 PolarHBondContact O-N 3.05Å; D1410-L1413 PolarHBondContact O-N 2.77Å; L1413-S1415 PolarHBondContact O-N 2.93Å; L1413-A1416 PolarHBondContact O-N 3.1Å; L1413-K1417 WeakPolarHBondContact O-CB 3.14Å; L1413-K1417 WeakPolarHBondContact O-CG 3.46Å; L1413-K1417 PolarHBondContact O-N 2.84Å; L1413-Y1433 HydrophobicContact CD2-CD1 3.73Å; L1413-Y1433 HydrophobicContact CD2-CE1 4.17Å; L1413-A1436 HydrophobicContact CD2-CB 3.47Å; L1413-A1436 VanDerWaalsContact CD2-CB 3.47Å; L1413-A1436 HydrophobicContact CG-CB 3.63Å; L1413-K1438 HydrophobicContact CD1-CD 4.03Å; L1413-K1438 HydrophobicContact CD1-CG 4.22Å; L1413-K1438 HydrophobicContact CD2-CB 3.83Å; L1413-K1438 HydrophobicContact CD2-CD 3.62Å; L1413-K1438 HydrophobicContact CD2-CG 3.69Å; L1413-K1438 HydrophobicContact CG-CD 4.48Å |
| 1414 | E | 88.3 | Confident | 87.5 | Confident | 108 Ų | 108 | 64.2 Ų | 64.2 | 51% | 0.505 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.4 | -27.1 | 178.4 | -159.9 | -156.3 | -133.1 | 0 | 0 | 110.7 | K1392 D1410 H1418 | K1392-E1414 PolarHBondContact NZ-O 2.73Å; K1392-E1414 IonicContact NZ-OE2 2.6Å; K1392-E1414 PolarHBondContact NZ-OE2 3.44Å; D1410-E1414 PolarHBondContact O-N 3.29Å; E1414-H1418 PolarHBondContact O-N 2.87Å |
| 1415 | S | 90.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -78.1 | -40.2 | 175.6 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | I1388 K1392 L1400 D1411 M1412 L1413 H1418 L1419 | I1388-S1415 WeakPolarHBondContact CG2-OG 3.3Å; K1392-S1415 PolarHBondContact NZ-OG 3.11Å; L1400-S1415 WeakPolarHBondContact CD1-OG 2.98Å; D1411-S1415 WeakPolarHBondContact O-CB 3.34Å; D1411-S1415 PolarHBondContact O-N 3.26Å; D1411-S1415 PolarHBondContact O-OG 3.28Å; M1412-S1415 PolarHBondContact O-N 2.62Å; L1413-S1415 PolarHBondContact O-N 2.93Å; S1415-H1418 PolarHBondContact O-N 2.74Å; S1415-H1418 VanDerWaalsContact O-N 3.12Å; S1415-L1419 WeakPolarHBondContact O-CB 3.43Å; S1415-L1419 WeakPolarHBondContact O-CG 3.41Å; S1415-L1419 PolarHBondContact O-N 3Å |
| 1416 | A | 90.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.2 | -51.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | M1412 L1413 H1418 L1419 E1420 A1429 L1432 Y1433 | M1412-A1416 WeakPolarHBondContact O-CB 3.44Å; M1412-A1416 PolarHBondContact O-N 2.95Å; L1413-A1416 PolarHBondContact O-N 3.1Å; A1416-H1418 PolarHBondContact O-N 3.12Å; A1416-H1418 VanDerWaalsContact O-N 3.15Å; A1416-L1419 PolarHBondContact O-N 3.21Å; A1416-E1420 VanDerWaalsContact O-CB 3.24Å; A1416-E1420 WeakPolarHBondContact O-CB 3.36Å; A1416-E1420 PolarHBondContact O-N 2.98Å; A1416-A1429 HydrophobicContact CB-CB 4.4Å; A1416-A1429 WeakPolarHBondContact CB-O 3.29Å; A1416-A1429 WeakPolarHBondContact O-CB 3.35Å; A1416-L1432 HydrophobicContact CB-CB 3.84Å; A1416-Y1433 HydrophobicContact CB-CD1 4.03Å; A1416-Y1433 HydrophobicContact CB-CD2 3.46Å; A1416-Y1433 VanDerWaalsContact CB-CD2 3.46Å; A1416-Y1433 HydrophobicContact CB-CE1 4.11Å; A1416-Y1433 HydrophobicContact CB-CE2 3.53Å; A1416-Y1433 HydrophobicContact CB-CG 3.71Å |
| 1417 | K | 89.4 | Confident | 87.3 | Confident | 112 Ų | 112 | 63.9 Ų | 63.9 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -54.7 | -30.6 | 172.9 | -76.4 | 178.4 | 172.8 | -172.8 | 0 | 114.7 | L1413 N1421 Y1433 | L1413-K1417 WeakPolarHBondContact O-CB 3.14Å; L1413-K1417 WeakPolarHBondContact O-CG 3.46Å; L1413-K1417 PolarHBondContact O-N 2.84Å; K1417-N1421 PolarHBondContact O-ND2 3.29Å; K1417-Y1433 HydrophobicContact CG-CE1 4.46Å; K1417-Y1433 WeakPolarHBondContact CG-OH 3.44Å |
| 1418 | H | 89.1 | Confident | 87.5 | Confident | 34 Ų | 34 | 65.3 Ų | 65.3 | 16% | 0.157 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -78 | -52.1 | 176.7 | -174.4 | -89.7 | 0 | 0 | 0 | 110.7 | K1392 L1400 E1414 S1415 A1416 E1420 N1421 Y1422 | K1392-H1418 HydrophobicContact CD-CB 3.99Å; K1392-H1418 HydrophobicContact CG-CB 4.04Å; L1400-H1418 HydrophobicContact CD2-CB 4.27Å; L1400-H1418 WeakPolarHBondContact CD2-ND1 3.4Å; E1414-H1418 PolarHBondContact O-N 2.87Å; S1415-H1418 PolarHBondContact O-N 2.74Å; S1415-H1418 VanDerWaalsContact O-N 3.12Å; A1416-H1418 PolarHBondContact O-N 3.12Å; A1416-H1418 VanDerWaalsContact O-N 3.15Å; H1418-E1420 PolarHBondContact O-N 3.4Å; H1418-N1421 WeakPolarHBondContact O-CB 3.34Å; H1418-N1421 PolarHBondContact O-N 2.94Å; H1418-N1421 VanDerWaalsContact O-N 3.09Å; H1418-N1421 PolarHBondContact O-ND2 2.69Å; H1418-Y1422 AromaticContact CE1-CE2 3.32Å; H1418-Y1422 WeakPolarHBondContact CE1-CE2 3.44Å; H1418-Y1422 AromaticContact CE1-CZ 3.67Å; H1418-Y1422 PolarHBondContact CE1-OH 3.43Å; H1418-Y1422 AromaticContact ND1-CE2 3.58Å; H1418-Y1422 AromaticContact NE2-CE2 3.94Å; H1418-Y1422 VanDerWaalsContact O-CD2 3.23Å; H1418-Y1422 WeakPolarHBondContact O-CD2 3.34Å; H1418-Y1422 WeakPolarHBondContact O-CE2 3.46Å |
| 1419 | L | 89.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.7 | -27.5 | -179.3 | -66.9 | -175.3 | 0 | 0 | 0 | 112.9 | N1397 L1400 F1401 S1415 A1416 N1421 Y1422 Y1425 K1428 A1429 L1432 | N1397-L1419 HydrophobicContact CB-CD2 3.83Å; L1400-L1419 HydrophobicContact CB-CD2 4.43Å; L1400-L1419 HydrophobicContact CD2-CD2 3.57Å; L1400-L1419 HydrophobicContact CD2-CG 4Å; L1400-L1419 HydrophobicContact CG-CD1 4.5Å; L1400-L1419 HydrophobicContact CG-CD2 4.05Å; L1400-L1419 HydrophobicContact CG-CG 4.26Å; F1401-L1419 HydrophobicContact CB-CD1 4.16Å; S1415-L1419 WeakPolarHBondContact O-CB 3.43Å; S1415-L1419 WeakPolarHBondContact O-CG 3.41Å; S1415-L1419 PolarHBondContact O-N 3Å; A1416-L1419 PolarHBondContact O-N 3.21Å; L1419-N1421 PolarHBondContact O-N 2.95Å; L1419-N1421 VanDerWaalsContact O-N 3.15Å; L1419-Y1422 PolarHBondContact O-N 3.2Å; L1419-Y1422 VanDerWaalsContact O-O 3.05Å; L1419-Y1425 HydrophobicContact CD2-CD1 3.85Å; L1419-Y1425 HydrophobicContact CD2-CG 3.94Å; L1419-K1428 HydrophobicContact CD1-CB 3.81Å; L1419-A1429 HydrophobicContact CB-CB 3.91Å; L1419-L1432 HydrophobicContact CD1-CD1 3.99Å |
| 1420 | E | 88.2 | Confident | 87.8 | Confident | 88 Ų | 88 | 53.7 Ų | 53.7 | 41% | 0.411 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -25.9 | 170.4 | 179 | 172.7 | 176.9 | 0 | 0 | 113.6 | A1416 H1418 Y1422 A1429 Y1433 L1445 | A1416-E1420 VanDerWaalsContact O-CB 3.24Å; A1416-E1420 WeakPolarHBondContact O-CB 3.36Å; A1416-E1420 PolarHBondContact O-N 2.98Å; H1418-E1420 PolarHBondContact O-N 3.4Å; E1420-Y1422 VanDerWaalsContact C-N 3.35Å; E1420-A1429 HydrophobicContact CB-CB 4.5Å; E1420-Y1433 WeakPolarHBondContact OE2-CE2 3.23Å; E1420-Y1433 PolarHBondContact OE2-OH 3.4Å; E1420-L1445 HydrophobicContact CB-CD1 4.23Å; E1420-L1445 HydrophobicContact CG-CD1 3.83Å |
| 1421 | N | 86.8 | Confident | 87.7 | Confident | 120 Ų | 120 | 50.8 Ų | 50.8 | 64% | 0.642 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -6.3 | 175.4 | -52.9 | -80.3 | 0 | 0 | 0 | 114 | K1417 H1418 L1419 | K1417-N1421 PolarHBondContact O-ND2 3.29Å; H1418-N1421 WeakPolarHBondContact O-CB 3.34Å; H1418-N1421 PolarHBondContact O-N 2.94Å; H1418-N1421 VanDerWaalsContact O-N 3.09Å; H1418-N1421 PolarHBondContact O-ND2 2.69Å; L1419-N1421 PolarHBondContact O-N 2.95Å; L1419-N1421 VanDerWaalsContact O-N 3.15Å |
| 1422 | Y | 86.6 | Confident | 87.7 | Confident | 64 Ų | 64 | 49.6 Ų | 49.6 | 25% | 0.251 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -120.7 | 114.3 | -174.8 | -59.9 | -101.7 | 0 | 0 | 0 | 109.7 | N1395 N1397 H1418 L1419 E1420 D1424 Y1425 | N1395-Y1422 PolarHBondContact OD1-OH 3.38Å; N1397-Y1422 WeakPolarHBondContact ND2-CD1 3.42Å; N1397-Y1422 WeakPolarHBondContact ND2-CE1 3.5Å; H1418-Y1422 AromaticContact CE1-CE2 3.32Å; H1418-Y1422 WeakPolarHBondContact CE1-CE2 3.44Å; H1418-Y1422 AromaticContact CE1-CZ 3.67Å; H1418-Y1422 PolarHBondContact CE1-OH 3.43Å; H1418-Y1422 AromaticContact ND1-CE2 3.58Å; H1418-Y1422 AromaticContact NE2-CE2 3.94Å; H1418-Y1422 VanDerWaalsContact O-CD2 3.23Å; H1418-Y1422 WeakPolarHBondContact O-CD2 3.34Å; H1418-Y1422 WeakPolarHBondContact O-CE2 3.46Å; L1419-Y1422 PolarHBondContact O-N 3.2Å; L1419-Y1422 VanDerWaalsContact O-O 3.05Å; E1420-Y1422 VanDerWaalsContact C-N 3.35Å; Y1422-D1424 VanDerWaalsContact C-N 3.25Å; Y1422-D1424 PolarHBondContact O-N 3.2Å; Y1422-D1424 VanDerWaalsContact O-N 3.15Å; Y1422-Y1425 PolarHBondContact O-N 3.17Å |
| 1423 | P | 80.8 | Confident | 87.7 | Confident | 95 Ų | 95 | 48.9 Ų | 48.9 | 62% | 0.617 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -58.6 | -35.7 | -171.1 | 22 | -32.9 | 0 | 0 | 0 | 113.4 | Y1425 I1426 | P1423-Y1425 PolarHBondContact O-N 3.32Å; P1423-Y1425 VanDerWaalsContact O-N 3.09Å; P1423-I1426 HydrophobicContact CB-CD1 4.47Å |
| 1424 | D | 84.1 | Confident | 87.6 | Confident | 126 Ų | 126 | 49.3 Ų | 49.3 | 67% | 0.674 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -73.5 | 2.7 | -179.2 | -34 | -55.1 | 0 | 0 | 0 | 114 | Y1422 | Y1422-D1424 VanDerWaalsContact C-N 3.25Å; Y1422-D1424 PolarHBondContact O-N 3.2Å; Y1422-D1424 VanDerWaalsContact O-N 3.15Å |
| 1425 | Y | 85.7 | Confident | 87.4 | Confident | 33 Ų | 33 | 49 Ų | 49 | 13% | 0.129 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -133.6 | 11.3 | -174.4 | -62.1 | -99.4 | 0 | 0 | 0 | 113.5 | N1397 D1398 L1419 Y1422 P1423 D1427 K1428 A1429 | N1397-Y1425 HydrophobicContact CB-CD1 3.59Å; N1397-Y1425 HydrophobicContact CB-CD2 4.06Å; N1397-Y1425 HydrophobicContact CB-CE1 3.26Å; N1397-Y1425 HydrophobicContact CB-CE2 3.76Å; N1397-Y1425 HydrophobicContact CB-CG 4.01Å; N1397-Y1425 WeakPolarHBondContact O-CE1 3.35Å; D1398-Y1425 WeakPolarHBondContact OD1-CE1 3.1Å; D1398-Y1425 PolarHBondContact OD1-OH 3.34Å; D1398-Y1425 PolarHBondContact OD2-OH 3.22Å; L1419-Y1425 HydrophobicContact CD2-CD1 3.85Å; L1419-Y1425 HydrophobicContact CD2-CG 3.94Å; Y1422-Y1425 PolarHBondContact O-N 3.17Å; P1423-Y1425 PolarHBondContact O-N 3.32Å; P1423-Y1425 VanDerWaalsContact O-N 3.09Å; Y1425-D1427 VanDerWaalsContact C-N 3.33Å; Y1425-D1427 PolarHBondContact O-N 3.34Å; Y1425-K1428 HydrophobicContact CD1-CD 3.36Å; Y1425-K1428 HydrophobicContact CE1-CD 3.99Å; Y1425-K1428 HydrophobicContact CG-CD 4.16Å; Y1425-K1428 CarbonylContact O-C 3.55Å; Y1425-K1428 WeakPolarHBondContact O-CB 3.44Å; Y1425-K1428 PolarHBondContact O-N 3.31Å; Y1425-A1429 PolarHBondContact O-N 3.49Å |
| 1426 | I | 86.3 | Confident | 87.2 | Confident | 30 Ų | 30 | 49.7 Ų | 49.7 | 15% | 0.154 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 178.6 | -70.3 | 171.7 | 0 | 0 | 0 | 111.4 | P1423 K1428 A1429 I1430 L1445 T1449 | P1423-I1426 HydrophobicContact CB-CD1 4.47Å; I1426-K1428 VanDerWaalsContact C-N 3.25Å; I1426-K1428 PolarHBondContact O-N 2.97Å; I1426-A1429 WeakPolarHBondContact O-CA 3.46Å; I1426-A1429 VanDerWaalsContact O-CB 3.32Å; I1426-A1429 WeakPolarHBondContact O-CB 3.4Å; I1426-A1429 PolarHBondContact O-N 2.76Å; I1426-I1430 HydrophobicContact CG2-CD1 3.86Å; I1426-I1430 WeakPolarHBondContact O-CG1 3.42Å; I1426-I1430 PolarHBondContact O-N 3.4Å; I1426-L1445 HydrophobicContact CG2-CD2 3.73Å; I1426-T1449 HydrophobicContact CD1-CG2 3.99Å; I1426-T1449 HydrophobicContact CG2-CG2 3.68Å; I1426-T1449 WeakPolarHBondContact CG2-OG1 3.43Å |
| 1427 | D | 85.4 | Confident | 86.7 | Confident | 92 Ų | 92 | 52.2 Ų | 52.2 | 49% | 0.492 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 178.2 | -31.9 | 18.9 | 0 | 0 | 0 | 110.6 | Y1425 A1429 I1430 L1431 Q1451 | Y1425-D1427 VanDerWaalsContact C-N 3.33Å; Y1425-D1427 PolarHBondContact O-N 3.34Å; D1427-A1429 VanDerWaalsContact C-N 3.31Å; D1427-A1429 PolarHBondContact O-N 2.84Å; D1427-I1430 PolarHBondContact O-N 2.76Å; D1427-L1431 PolarHBondContact O-N 2.87Å; D1427-L1431 VanDerWaalsContact O-N 3.14Å; D1427-Q1451 VanDerWaalsContact CB-OE1 3.26Å; D1427-Q1451 PolarHBondContact OD1-NE2 3.25Å |
| 1428 | K | 87.4 | Confident | 86.4 | Confident | 47 Ų | 47 | 50.7 Ų | 50.7 | 20% | 0.204 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.9 | -33.8 | 177.8 | -63.9 | 169.8 | -179.2 | 166.6 | 0 | 110.2 | D1398 F1401 L1419 Y1425 I1426 L1432 | D1398-K1428 IonicContact OD1-NZ 3.35Å; D1398-K1428 PolarHBondContact OD1-NZ 3.3Å; F1401-K1428 HydrophobicContact CB-CB 4.11Å; F1401-K1428 HydrophobicContact CB-CD 3.96Å; F1401-K1428 HydrophobicContact CB-CG 4.2Å; F1401-K1428 HydrophobicContact CD1-CB 4.28Å; F1401-K1428 HydrophobicContact CD1-CD 3.91Å; F1401-K1428 HydrophobicContact CD1-CG 3.71Å; F1401-K1428 HydrophobicContact CD2-CB 3.38Å; F1401-K1428 HydrophobicContact CD2-CD 4.47Å; F1401-K1428 HydrophobicContact CD2-CG 3.77Å; F1401-K1428 HydrophobicContact CE1-CD 4.44Å; F1401-K1428 HydrophobicContact CE1-CG 3.84Å; F1401-K1428 HydrophobicContact CE2-CB 3.67Å; F1401-K1428 HydrophobicContact CE2-CG 3.89Å; F1401-K1428 HydrophobicContact CG-CB 3.68Å; F1401-K1428 HydrophobicContact CG-CD 3.88Å; F1401-K1428 HydrophobicContact CG-CG 3.63Å; F1401-K1428 HydrophobicContact CZ-CB 4.21Å; F1401-K1428 HydrophobicContact CZ-CG 3.9Å; L1419-K1428 HydrophobicContact CD1-CB 3.81Å; Y1425-K1428 HydrophobicContact CD1-CD 3.36Å; Y1425-K1428 HydrophobicContact CE1-CD 3.99Å; Y1425-K1428 HydrophobicContact CG-CD 4.16Å; Y1425-K1428 CarbonylContact O-C 3.55Å; Y1425-K1428 WeakPolarHBondContact O-CB 3.44Å; Y1425-K1428 PolarHBondContact O-N 3.31Å; I1426-K1428 VanDerWaalsContact C-N 3.25Å; I1426-K1428 PolarHBondContact O-N 2.97Å; K1428-L1432 WeakPolarHBondContact O-CD1 3.45Å; K1428-L1432 WeakPolarHBondContact O-CG 3.36Å; K1428-L1432 PolarHBondContact O-N 3.26Å |
| 1429 | A | 89.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.7 | -44.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1416 L1419 E1420 Y1425 I1426 D1427 L1431 L1432 Y1433 | A1416-A1429 HydrophobicContact CB-CB 4.4Å; A1416-A1429 WeakPolarHBondContact CB-O 3.29Å; A1416-A1429 WeakPolarHBondContact O-CB 3.35Å; L1419-A1429 HydrophobicContact CB-CB 3.91Å; E1420-A1429 HydrophobicContact CB-CB 4.5Å; Y1425-A1429 PolarHBondContact O-N 3.49Å; I1426-A1429 WeakPolarHBondContact O-CA 3.46Å; I1426-A1429 VanDerWaalsContact O-CB 3.32Å; I1426-A1429 WeakPolarHBondContact O-CB 3.4Å; I1426-A1429 PolarHBondContact O-N 2.76Å; D1427-A1429 VanDerWaalsContact C-N 3.31Å; D1427-A1429 PolarHBondContact O-N 2.84Å; A1429-L1431 PolarHBondContact O-N 2.75Å; A1429-L1432 PolarHBondContact O-N 3.18Å; A1429-L1432 VanDerWaalsContact O-N 3.12Å; A1429-Y1433 WeakPolarHBondContact O-CD2 3.47Å; A1429-Y1433 PolarHBondContact O-N 3.04Å |
| 1430 | I | 88.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.8 | -47.5 | -179.8 | -68.1 | 159.5 | 0 | 0 | 0 | 110.8 | I1426 D1427 L1432 Y1433 H1434 L1445 A1446 Q1451 A1454 I1458 | I1426-I1430 HydrophobicContact CG2-CD1 3.86Å; I1426-I1430 WeakPolarHBondContact O-CG1 3.42Å; I1426-I1430 PolarHBondContact O-N 3.4Å; D1427-I1430 PolarHBondContact O-N 2.76Å; I1430-L1432 PolarHBondContact O-N 3Å; I1430-Y1433 PolarHBondContact O-N 3.19Å; I1430-H1434 WeakPolarHBondContact O-CB 3Å; I1430-H1434 PolarHBondContact O-N 2.69Å; I1430-L1445 HydrophobicContact CD1-CD2 4.11Å; I1430-L1445 HydrophobicContact CG1-CB 4.22Å; I1430-L1445 HydrophobicContact CG1-CD2 3.85Å; I1430-L1445 HydrophobicContact CG1-CG 4.45Å; I1430-A1446 HydrophobicContact CD1-CB 3.9Å; I1430-A1446 HydrophobicContact CG1-CB 4.31Å; I1430-A1446 HydrophobicContact CG2-CB 4Å; I1430-Q1451 HydrophobicContact CD1-CB 3.76Å; I1430-Q1451 HydrophobicContact CD1-CG 3.78Å; I1430-A1454 HydrophobicContact CB-CB 4.42Å; I1430-A1454 HydrophobicContact CG2-CB 3.75Å; I1430-I1458 HydrophobicContact CG2-CD1 3.63Å |
| 1431 | L | 86.9 | Confident | 85.6 | Confident | 48 Ų | 48 | 53 Ų | 53 | 25% | 0.251 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.1 | -29.7 | 177.2 | -171.2 | 67.4 | 0 | 0 | 0 | 112.5 | F1401 D1427 A1429 K1435 | F1401-L1431 HydrophobicContact CE2-CB 4.49Å; F1401-L1431 HydrophobicContact CE2-CD2 4.04Å; F1401-L1431 HydrophobicContact CZ-CD2 3.84Å; D1427-L1431 PolarHBondContact O-N 2.87Å; D1427-L1431 VanDerWaalsContact O-N 3.14Å; A1429-L1431 PolarHBondContact O-N 2.75Å; L1431-K1435 HydrophobicContact CG-CD 4.37Å; L1431-K1435 WeakPolarHBondContact O-CB 3.1Å; L1431-K1435 VanDerWaalsContact O-CG 3.31Å; L1431-K1435 WeakPolarHBondContact O-CG 3.31Å; L1431-K1435 PolarHBondContact O-N 2.7Å |
| 1432 | L | 88.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -78.9 | -40.2 | 176.5 | -71.2 | 172.1 | 0 | 0 | 0 | 112.7 | F1401 A1404 Q1405 M1412 A1416 L1419 K1428 A1429 I1430 H1434 A1436 | F1401-L1432 HydrophobicContact CD2-CD1 4.09Å; F1401-L1432 HydrophobicContact CD2-CG 4.22Å; F1401-L1432 HydrophobicContact CE2-CG 4.44Å; A1404-L1432 HydrophobicContact CB-CD1 3.56Å; A1404-L1432 HydrophobicContact CB-CD2 3.52Å; A1404-L1432 HydrophobicContact CB-CG 4.21Å; Q1405-L1432 HydrophobicContact CG-CD2 4.04Å; M1412-L1432 HydrophobicContact CB-CB 4.35Å; M1412-L1432 HydrophobicContact CB-CD2 4.08Å; M1412-L1432 HydrophobicContact CG-CD2 3.87Å; A1416-L1432 HydrophobicContact CB-CB 3.84Å; L1419-L1432 HydrophobicContact CD1-CD1 3.99Å; K1428-L1432 WeakPolarHBondContact O-CD1 3.45Å; K1428-L1432 WeakPolarHBondContact O-CG 3.36Å; K1428-L1432 PolarHBondContact O-N 3.26Å; A1429-L1432 PolarHBondContact O-N 3.18Å; A1429-L1432 VanDerWaalsContact O-N 3.12Å; I1430-L1432 PolarHBondContact O-N 3Å; L1432-H1434 PolarHBondContact O-N 2.74Å; L1432-A1436 WeakPolarHBondContact O-CB 3.43Å; L1432-A1436 PolarHBondContact O-N 3.05Å |
| 1433 | Y | 90.6 | Very high | 85.3 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.1 | -39.2 | 170.4 | -83.3 | -64.2 | 0 | 0 | 0 | 111.5 | L1413 A1416 K1417 E1420 A1429 I1430 K1438 Q1441 L1445 | L1413-Y1433 HydrophobicContact CD2-CD1 3.73Å; L1413-Y1433 HydrophobicContact CD2-CE1 4.17Å; A1416-Y1433 HydrophobicContact CB-CD1 4.03Å; A1416-Y1433 HydrophobicContact CB-CD2 3.46Å; A1416-Y1433 VanDerWaalsContact CB-CD2 3.46Å; A1416-Y1433 HydrophobicContact CB-CE1 4.11Å; A1416-Y1433 HydrophobicContact CB-CE2 3.53Å; A1416-Y1433 HydrophobicContact CB-CG 3.71Å; K1417-Y1433 HydrophobicContact CG-CE1 4.46Å; K1417-Y1433 WeakPolarHBondContact CG-OH 3.44Å; E1420-Y1433 WeakPolarHBondContact OE2-CE2 3.23Å; E1420-Y1433 PolarHBondContact OE2-OH 3.4Å; A1429-Y1433 WeakPolarHBondContact O-CD2 3.47Å; A1429-Y1433 PolarHBondContact O-N 3.04Å; I1430-Y1433 PolarHBondContact O-N 3.19Å; Y1433-K1438 HydrophobicContact CD1-CB 4.28Å; Y1433-K1438 CarbonylContact O-C 3.35Å; Y1433-K1438 WeakPolarHBondContact O-CA 3.5Å; Y1433-K1438 PolarHBondContact O-N 3.18Å; Y1433-Q1441 HydrophobicContact CD1-CB 3.87Å; Y1433-Q1441 HydrophobicContact CE1-CB 4.05Å; Y1433-Q1441 HydrophobicContact CG-CB 4.31Å; Y1433-L1445 HydrophobicContact CD2-CD1 3.74Å; Y1433-L1445 HydrophobicContact CE2-CD1 3.4Å; Y1433-L1445 VanDerWaalsContact CE2-CD1 3.4Å |
| 1434 | H | 86.7 | Confident | 85.5 | Confident | 35 Ų | 35 | 44.6 Ų | 44.6 | 16% | 0.162 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -59.1 | 174.9 | 172.5 | -122.1 | 0 | 0 | 0 | 112.5 | I1430 L1432 A1436 G1437 A1442 I1458 S1461 | I1430-H1434 WeakPolarHBondContact O-CB 3Å; I1430-H1434 PolarHBondContact O-N 2.69Å; L1432-H1434 PolarHBondContact O-N 2.74Å; H1434-A1436 PolarHBondContact O-N 3.47Å; H1434-A1436 VanDerWaalsContact O-N 3.12Å; H1434-G1437 PolarHBondContact O-N 2.75Å; H1434-A1442 HydrophobicContact CB-CB 4.15Å; H1434-I1458 HydrophobicContact CB-CD1 4.38Å; H1434-I1458 HydrophobicContact CB-CG1 3.86Å; H1434-S1461 PolarHBondContact CE1-OG 3.36Å; H1434-S1461 PolarHBondContact NE2-OG 3.36Å |
| 1435 | K | 85.3 | Confident | 85.6 | Confident | 100 Ų | 100 | 39.3 Ų | 39.3 | 44% | 0.435 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.6 | -23 | 179.5 | -72.8 | -176 | 176.6 | -161.8 | 0 | 113.6 | M1412 L1431 G1437 | M1412-K1435 HydrophobicContact CE-CB 4.47Å; M1412-K1435 HydrophobicContact SD-CB 3.57Å; M1412-K1435 VanDerWaalsContact SD-CB 3.57Å; L1431-K1435 HydrophobicContact CG-CD 4.37Å; L1431-K1435 WeakPolarHBondContact O-CB 3.1Å; L1431-K1435 VanDerWaalsContact O-CG 3.31Å; L1431-K1435 WeakPolarHBondContact O-CG 3.31Å; L1431-K1435 PolarHBondContact O-N 2.7Å; K1435-G1437 VanDerWaalsContact C-N 3.32Å |
| 1436 | A | 85 | Confident | 85.6 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 13% | 0.132 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -0.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1409 M1412 L1413 L1432 H1434 K1438 | S1409-A1436 WeakPolarHBondContact O-CB 3.3Å; M1412-A1436 HydrophobicContact CB-CB 3.84Å; L1413-A1436 HydrophobicContact CD2-CB 3.47Å; L1413-A1436 VanDerWaalsContact CD2-CB 3.47Å; L1413-A1436 HydrophobicContact CG-CB 3.63Å; L1432-A1436 WeakPolarHBondContact O-CB 3.43Å; L1432-A1436 PolarHBondContact O-N 3.05Å; H1434-A1436 PolarHBondContact O-N 3.47Å; H1434-A1436 VanDerWaalsContact O-N 3.12Å; A1436-K1438 VanDerWaalsContact C-N 3.33Å; A1436-K1438 PolarHBondContact O-N 2.89Å |
| 1437 | G | 80.4 | Confident | 85.5 | Confident | 53 Ų | 53 | 38.1 Ų | 38.1 | 55% | 0.546 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 4.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | H1434 K1435 I1439 | H1434-G1437 PolarHBondContact O-N 2.75Å; K1435-G1437 VanDerWaalsContact C-N 3.32Å; G1437-I1439 PolarHBondContact O-N 2.93Å; G1437-I1439 VanDerWaalsContact O-N 3.12Å |
| 1438 | K | 83.9 | Confident | 85.4 | Confident | 79 Ų | 79 | 40 Ų | 40 | 34% | 0.343 | 21% | 0.21 | S | C | . | . | trans | -90.3 | 62.1 | 174.3 | -78.3 | -154.7 | -175.8 | 175.9 | 0 | 112.1 | L1413 Y1433 A1436 N1440 Q1441 A1442 | L1413-K1438 HydrophobicContact CD1-CD 4.03Å; L1413-K1438 HydrophobicContact CD1-CG 4.22Å; L1413-K1438 HydrophobicContact CD2-CB 3.83Å; L1413-K1438 HydrophobicContact CD2-CD 3.62Å; L1413-K1438 HydrophobicContact CD2-CG 3.69Å; L1413-K1438 HydrophobicContact CG-CD 4.48Å; Y1433-K1438 HydrophobicContact CD1-CB 4.28Å; Y1433-K1438 CarbonylContact O-C 3.35Å; Y1433-K1438 WeakPolarHBondContact O-CA 3.5Å; Y1433-K1438 PolarHBondContact O-N 3.18Å; A1436-K1438 VanDerWaalsContact C-N 3.33Å; A1436-K1438 PolarHBondContact O-N 2.89Å; K1438-N1440 VanDerWaalsContact C-N 3.3Å; K1438-N1440 PolarHBondContact O-N 2.96Å; K1438-Q1441 HydrophobicContact CB-CB 4.38Å; K1438-Q1441 HydrophobicContact CB-CG 4.46Å; K1438-Q1441 HydrophobicContact CD-CG 4.14Å; K1438-Q1441 PolarHBondContact O-N 3.39Å; K1438-Q1441 VanDerWaalsContact O-N 3.11Å; K1438-A1442 PolarHBondContact O-N 3.07Å | ||
| 1439 | I | 82.3 | Confident | 85.1 | Confident | 27 Ų | 27 | 40.1 Ų | 40.1 | 14% | 0.138 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -48.2 | -49 | -179.8 | -61.6 | 154.5 | 0 | 0 | 0 | 111.5 | G1437 Q1441 A1442 I1443 I1458 L1462 Q1466 | G1437-I1439 PolarHBondContact O-N 2.93Å; G1437-I1439 VanDerWaalsContact O-N 3.12Å; I1439-Q1441 PolarHBondContact O-N 3.15Å; I1439-A1442 WeakPolarHBondContact O-CB 3.49Å; I1439-A1442 PolarHBondContact O-N 3.43Å; I1439-I1443 HydrophobicContact CG2-CD1 3.73Å; I1439-I1443 HydrophobicContact CG2-CG1 4.49Å; I1439-I1443 WeakPolarHBondContact O-CG1 3.35Å; I1439-I1443 PolarHBondContact O-N 3.13Å; I1439-I1458 HydrophobicContact CG2-CG2 4.45Å; I1439-L1462 HydrophobicContact CB-CD2 4.36Å; I1439-L1462 HydrophobicContact CD1-CD2 3.58Å; I1439-L1462 HydrophobicContact CG1-CD2 3.72Å; I1439-L1462 HydrophobicContact CG2-CD1 3.75Å; I1439-L1462 HydrophobicContact CG2-CD2 3.69Å; I1439-L1462 HydrophobicContact CG2-CG 4.39Å; I1439-Q1466 HydrophobicContact CD1-CB 4.48Å |
| 1440 | N | 82.8 | Confident | 84.8 | Confident | 77 Ų | 77 | 46 Ų | 46 | 41% | 0.412 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61 | -44.8 | -178.8 | -60.6 | 1.6 | 0 | 0 | 0 | 112.5 | K1438 I1443 E1444 M1471 | K1438-N1440 VanDerWaalsContact C-N 3.3Å; K1438-N1440 PolarHBondContact O-N 2.96Å; N1440-I1443 PolarHBondContact O-N 2.9Å; N1440-E1444 WeakPolarHBondContact O-CB 3.29Å; N1440-E1444 WeakPolarHBondContact O-CG 3.25Å; N1440-E1444 PolarHBondContact O-N 3.44Å; N1440-M1471 HydrophobicContact CB-CE 4.06Å |
| 1441 | Q | 83.9 | Confident | 84.4 | Confident | 67 Ų | 67 | 47.6 Ų | 47.6 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.9 | -34.5 | 178.6 | -55.9 | -152.5 | -95.3 | 0 | 0 | 111.4 | Y1433 K1438 I1439 L1445 | Y1433-Q1441 HydrophobicContact CD1-CB 3.87Å; Y1433-Q1441 HydrophobicContact CE1-CB 4.05Å; Y1433-Q1441 HydrophobicContact CG-CB 4.31Å; K1438-Q1441 HydrophobicContact CB-CB 4.38Å; K1438-Q1441 HydrophobicContact CB-CG 4.46Å; K1438-Q1441 HydrophobicContact CD-CG 4.14Å; K1438-Q1441 PolarHBondContact O-N 3.39Å; K1438-Q1441 VanDerWaalsContact O-N 3.11Å; I1439-Q1441 PolarHBondContact O-N 3.15Å; Q1441-L1445 VanDerWaalsContact O-CB 3.27Å; Q1441-L1445 WeakPolarHBondContact O-CB 3.39Å; Q1441-L1445 PolarHBondContact O-N 2.7Å |
| 1442 | A | 85.1 | Confident | 84 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63 | -42.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | H1434 K1438 I1439 A1446 I1458 | H1434-A1442 HydrophobicContact CB-CB 4.15Å; K1438-A1442 PolarHBondContact O-N 3.07Å; I1439-A1442 WeakPolarHBondContact O-CB 3.49Å; I1439-A1442 PolarHBondContact O-N 3.43Å; A1442-A1446 VanDerWaalsContact O-CB 3.25Å; A1442-A1446 WeakPolarHBondContact O-CB 3.42Å; A1442-A1446 PolarHBondContact O-N 2.97Å; A1442-I1458 HydrophobicContact CB-CD1 3.65Å; A1442-I1458 HydrophobicContact CB-CG1 4.47Å |
| 1443 | I | 83.1 | Confident | 83.4 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.9 | -51.3 | 176.7 | -70.1 | 169.5 | 0 | 0 | 0 | 111.1 | I1439 N1440 L1445 A1446 I1447 L1455 I1458 M1471 C1475 | I1439-I1443 HydrophobicContact CG2-CD1 3.73Å; I1439-I1443 HydrophobicContact CG2-CG1 4.49Å; I1439-I1443 WeakPolarHBondContact O-CG1 3.35Å; I1439-I1443 PolarHBondContact O-N 3.13Å; N1440-I1443 PolarHBondContact O-N 2.9Å; I1443-L1445 VanDerWaalsContact C-N 3.31Å; I1443-L1445 PolarHBondContact O-N 3.06Å; I1443-A1446 PolarHBondContact O-N 2.83Å; I1443-I1447 HydrophobicContact CG2-CD1 3.67Å; I1443-I1447 HydrophobicContact CG2-CG1 4.38Å; I1443-I1447 WeakPolarHBondContact O-CB 3.41Å; I1443-I1447 WeakPolarHBondContact O-CG1 3.42Å; I1443-I1447 PolarHBondContact O-N 2.78Å; I1443-L1455 HydrophobicContact CB-CD1 4.28Å; I1443-L1455 HydrophobicContact CG1-CD1 3.92Å; I1443-L1455 HydrophobicContact CG2-CD1 4.16Å; I1443-I1458 HydrophobicContact CD1-CG2 4.4Å; I1443-I1458 HydrophobicContact CG1-CG2 4.05Å; I1443-M1471 HydrophobicContact CB-CE 4.05Å; I1443-M1471 HydrophobicContact CD1-CE 4.03Å; I1443-M1471 HydrophobicContact CG2-CE 3.85Å; I1443-C1475 VanDerWaalsContact CG2-SG 3.54Å |
| 1444 | E | 84.5 | Confident | 82.8 | Confident | 99 Ų | 99 | 53.6 Ų | 53.6 | 46% | 0.463 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.3 | -44.9 | 178.5 | -75.4 | 175.6 | 160.7 | 0 | 0 | 111.7 | N1440 I1447 N1448 | N1440-E1444 WeakPolarHBondContact O-CB 3.29Å; N1440-E1444 WeakPolarHBondContact O-CG 3.25Å; N1440-E1444 PolarHBondContact O-N 3.44Å; E1444-I1447 PolarHBondContact O-N 3.24Å; E1444-N1448 WeakPolarHBondContact O-CB 3.28Å; E1444-N1448 PolarHBondContact O-N 3.08Å; E1444-N1448 PolarHBondContact O-ND2 3.34Å |
| 1445 | L | 86.5 | Confident | 82.5 | Confident | 15 Ų | 15 | 51.9 Ų | 51.9 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.3 | -45.1 | 179.3 | -149.5 | 170.6 | 0 | 0 | 0 | 110.9 | E1420 I1426 I1430 Y1433 Q1441 I1443 I1447 N1448 T1449 | E1420-L1445 HydrophobicContact CB-CD1 4.23Å; E1420-L1445 HydrophobicContact CG-CD1 3.83Å; I1426-L1445 HydrophobicContact CG2-CD2 3.73Å; I1430-L1445 HydrophobicContact CD1-CD2 4.11Å; I1430-L1445 HydrophobicContact CG1-CB 4.22Å; I1430-L1445 HydrophobicContact CG1-CD2 3.85Å; I1430-L1445 HydrophobicContact CG1-CG 4.45Å; Y1433-L1445 HydrophobicContact CD2-CD1 3.74Å; Y1433-L1445 HydrophobicContact CE2-CD1 3.4Å; Y1433-L1445 VanDerWaalsContact CE2-CD1 3.4Å; Q1441-L1445 VanDerWaalsContact O-CB 3.27Å; Q1441-L1445 WeakPolarHBondContact O-CB 3.39Å; Q1441-L1445 PolarHBondContact O-N 2.7Å; I1443-L1445 VanDerWaalsContact C-N 3.31Å; I1443-L1445 PolarHBondContact O-N 3.06Å; L1445-I1447 VanDerWaalsContact C-N 3.32Å; L1445-I1447 PolarHBondContact O-N 2.87Å; L1445-N1448 PolarHBondContact O-N 3.3Å; L1445-T1449 HydrophobicContact CD2-CG2 3.64Å; L1445-T1449 PolarHBondContact O-N 3.28Å; L1445-T1449 PolarHBondContact O-OG1 3.47Å |
| 1446 | A | 84.8 | Confident | 82 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.2 | -34.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1430 A1442 I1443 K1450 Q1451 L1455 | I1430-A1446 HydrophobicContact CD1-CB 3.9Å; I1430-A1446 HydrophobicContact CG1-CB 4.31Å; I1430-A1446 HydrophobicContact CG2-CB 4Å; A1442-A1446 VanDerWaalsContact O-CB 3.25Å; A1442-A1446 WeakPolarHBondContact O-CB 3.42Å; A1442-A1446 PolarHBondContact O-N 2.97Å; I1443-A1446 PolarHBondContact O-N 2.83Å; A1446-K1450 CarbonylContact O-C 3.51Å; A1446-K1450 WeakPolarHBondContact O-CA 3.18Å; A1446-K1450 PolarHBondContact O-N 2.93Å; A1446-Q1451 HydrophobicContact CB-CB 4.46Å; A1446-Q1451 PolarHBondContact O-N 3.4Å; A1446-L1455 HydrophobicContact CB-CB 4.02Å; A1446-L1455 HydrophobicContact CB-CD1 4.29Å |
| 1447 | I | 84.3 | Confident | 81.6 | Confident | 39 Ų | 39 | 51.3 Ų | 51.3 | 20% | 0.2 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.3 | -50.7 | 171.6 | -74 | 173.6 | 0 | 0 | 0 | 110.2 | I1443 E1444 L1445 T1449 K1450 L1455 Q1474 F1478 | I1443-I1447 HydrophobicContact CG2-CD1 3.67Å; I1443-I1447 HydrophobicContact CG2-CG1 4.38Å; I1443-I1447 WeakPolarHBondContact O-CB 3.41Å; I1443-I1447 WeakPolarHBondContact O-CG1 3.42Å; I1443-I1447 PolarHBondContact O-N 2.78Å; E1444-I1447 PolarHBondContact O-N 3.24Å; L1445-I1447 VanDerWaalsContact C-N 3.32Å; L1445-I1447 PolarHBondContact O-N 2.87Å; I1447-T1449 VanDerWaalsContact C-N 3.3Å; I1447-T1449 PolarHBondContact O-N 3.27Å; I1447-K1450 PolarHBondContact O-N 2.85Å; I1447-L1455 HydrophobicContact CG1-CD2 4.1Å; I1447-Q1474 HydrophobicContact CD1-CB 4.44Å; I1447-F1478 HydrophobicContact CB-CD2 4.2Å; I1447-F1478 HydrophobicContact CB-CG 4.43Å; I1447-F1478 HydrophobicContact CD1-CB 4.39Å; I1447-F1478 HydrophobicContact CG1-CB 4.14Å; I1447-F1478 HydrophobicContact CG1-CD1 4.2Å; I1447-F1478 HydrophobicContact CG1-CD2 4.16Å; I1447-F1478 HydrophobicContact CG1-CG 3.88Å; I1447-F1478 HydrophobicContact CG2-CD2 3.77Å; I1447-F1478 HydrophobicContact CG2-CE2 4.28Å; I1447-F1478 HydrophobicContact CG2-CG 4.29Å; I1447-F1478 VanDerWaalsContact O-CE2 3.3Å; I1447-F1478 WeakPolarHBondContact O-CE2 3.38Å |
| 1448 | N | 84.6 | Confident | 81.4 | Confident | 130 Ų | 130 | 48.8 Ų | 48.8 | 70% | 0.695 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.4 | -34.1 | -178 | -74.7 | -30.9 | 0 | 0 | 0 | 113.2 | E1444 L1445 | E1444-N1448 WeakPolarHBondContact O-CB 3.28Å; E1444-N1448 PolarHBondContact O-N 3.08Å; E1444-N1448 PolarHBondContact O-ND2 3.34Å; L1445-N1448 PolarHBondContact O-N 3.3Å |
| 1449 | T | 81.2 | Confident | 80.9 | Confident | 50 Ų | 50 | 45.8 Ų | 45.8 | 31% | 0.307 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -106 | 5.3 | -176.4 | 65 | 0 | 0 | 0 | 0 | 114.1 | I1426 L1445 I1447 | I1426-T1449 HydrophobicContact CD1-CG2 3.99Å; I1426-T1449 HydrophobicContact CG2-CG2 3.68Å; I1426-T1449 WeakPolarHBondContact CG2-OG1 3.43Å; L1445-T1449 HydrophobicContact CD2-CG2 3.64Å; L1445-T1449 PolarHBondContact O-N 3.28Å; L1445-T1449 PolarHBondContact O-OG1 3.47Å; I1447-T1449 VanDerWaalsContact C-N 3.3Å; I1447-T1449 PolarHBondContact O-N 3.27Å |
| 1450 | K | 82.4 | Confident | 80.4 | Confident | 124 Ų | 124 | 49.4 Ų | 49.4 | 54% | 0.539 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 46.6 | 174.7 | -55.4 | -166.3 | 170.5 | -146.3 | 0 | 116.1 | A1446 I1447 F1452 F1478 N1482 | A1446-K1450 CarbonylContact O-C 3.51Å; A1446-K1450 WeakPolarHBondContact O-CA 3.18Å; A1446-K1450 PolarHBondContact O-N 2.93Å; I1447-K1450 PolarHBondContact O-N 2.85Å; K1450-F1452 HydrophobicContact CB-CE2 4.44Å; K1450-F1452 HydrophobicContact CB-CZ 4.15Å; K1450-F1452 WeakPolarHBondContact O-CD2 3.49Å; K1450-F1452 WeakPolarHBondContact O-CE2 3Å; K1450-F1452 PolarHBondContact O-N 3.17Å; K1450-F1478 HydrophobicContact CB-CZ 4.28Å; K1450-F1478 HydrophobicContact CG-CE2 4.31Å; K1450-F1478 HydrophobicContact CG-CZ 4.28Å; K1450-N1482 PolarHBondContact NZ-OD1 3.19Å; K1450-N1482 VanDerWaalsContact NZ-OD1 3.15Å |
| 1451 | Q | 80.4 | Confident | 79.9 | Confident | 33 Ų | 33 | 48.5 Ų | 48.5 | 15% | 0.154 | 26% | 0.263 | C | S | . | . | trans | -100.4 | 85.2 | -177.1 | -62.2 | -145.1 | -0.1 | 0 | 0 | 113.4 | D1427 I1430 A1446 D1453 A1454 L1455 | D1427-Q1451 VanDerWaalsContact CB-OE1 3.26Å; D1427-Q1451 PolarHBondContact OD1-NE2 3.25Å; I1430-Q1451 HydrophobicContact CD1-CB 3.76Å; I1430-Q1451 HydrophobicContact CD1-CG 3.78Å; A1446-Q1451 HydrophobicContact CB-CB 4.46Å; A1446-Q1451 PolarHBondContact O-N 3.4Å; Q1451-D1453 PolarHBondContact O-N 2.65Å; Q1451-A1454 HydrophobicContact CB-CB 4.04Å; Q1451-L1455 VanDerWaalsContact O-CB 3.31Å; Q1451-L1455 WeakPolarHBondContact O-CB 3.29Å; Q1451-L1455 PolarHBondContact O-N 3.33Å | ||
| 1452 | F | 77.8 | Confident | 79 | Confident | 50 Ų | 50 | 46.3 Ų | 46.3 | 22% | 0.219 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.3 | -43.9 | -173.7 | -54.8 | -65.6 | 0 | 0 | 0 | 114.7 | K1450 Q1456 F1478 F1479 N1482 Q1484 R1487 | K1450-F1452 HydrophobicContact CB-CE2 4.44Å; K1450-F1452 HydrophobicContact CB-CZ 4.15Å; K1450-F1452 WeakPolarHBondContact O-CD2 3.49Å; K1450-F1452 WeakPolarHBondContact O-CE2 3Å; K1450-F1452 PolarHBondContact O-N 3.17Å; F1452-Q1456 PolarHBondContact O-N 2.73Å; F1452-F1478 AromaticContact CD1-CE1 3.75Å; F1452-F1478 HydrophobicContact CD1-CE1 3.75Å; F1452-F1478 HydrophobicContact CD1-CZ 4.2Å; F1452-F1478 AromaticContact CE1-CE1 3.56Å; F1452-F1478 HydrophobicContact CE1-CE1 3.56Å; F1452-F1478 AromaticContact CE1-CZ 3.6Å; F1452-F1478 HydrophobicContact CE1-CZ 3.6Å; F1452-F1478 HydrophobicContact CZ-CZ 4.33Å; F1452-F1479 HydrophobicContact CB-CE1 4.26Å; F1452-F1479 HydrophobicContact CD1-CD1 4.3Å; F1452-F1479 HydrophobicContact CD1-CE1 4.1Å; F1452-N1482 HydrophobicContact CE1-CB 3.48Å; F1452-N1482 VanDerWaalsContact CE1-CB 3.48Å; F1452-N1482 HydrophobicContact CZ-CB 3.74Å; F1452-Q1484 VanDerWaalsContact CB-OE1 3.3Å; F1452-Q1484 VanDerWaalsContact CG-NE2 3.26Å; F1452-R1487 PolarHBondContact O-NH1 3.25Å |
| 1453 | D | 77 | Confident | 78 | Confident | 110 Ų | 110 | 51.6 Ų | 51.6 | 59% | 0.588 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -76.7 | -39 | -175.8 | -57.3 | -38.4 | 0 | 0 | 0 | 111.4 | Q1451 Q1456 S1457 R1487 | Q1451-D1453 PolarHBondContact O-N 2.65Å; D1453-Q1456 PolarHBondContact O-N 2.83Å; D1453-S1457 WeakPolarHBondContact O-CB 3.48Å; D1453-S1457 PolarHBondContact O-N 3.45Å; D1453-R1487 IonicContact OD1-CZ 2.69Å; D1453-R1487 IonicContact OD1-NH1 2.71Å; D1453-R1487 PolarHBondContact OD1-NH1 3.28Å; D1453-R1487 IonicContact OD1-NH2 3.03Å; D1453-R1487 PolarHBondContact OD1-NH2 3.03Å |
| 1454 | A | 77.5 | Confident | 76.9 | Confident | 18 Ų | 18 | 56.1 Ų | 56.1 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I1430 Q1451 Q1456 S1457 I1458 | I1430-A1454 HydrophobicContact CB-CB 4.42Å; I1430-A1454 HydrophobicContact CG2-CB 3.75Å; Q1451-A1454 HydrophobicContact CB-CB 4.04Å; A1454-Q1456 PolarHBondContact O-N 2.84Å; A1454-S1457 PolarHBondContact O-N 3.37Å; A1454-S1457 PolarHBondContact O-OG 2.56Å; A1454-I1458 WeakPolarHBondContact O-CG1 3.39Å; A1454-I1458 PolarHBondContact O-N 2.83Å |
| 1455 | L | 80.1 | Confident | 75.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 177.3 | -173.5 | 57.3 | 0 | 0 | 0 | 112.9 | I1443 A1446 I1447 Q1451 I1458 I1459 F1478 F1479 | I1443-L1455 HydrophobicContact CB-CD1 4.28Å; I1443-L1455 HydrophobicContact CG1-CD1 3.92Å; I1443-L1455 HydrophobicContact CG2-CD1 4.16Å; A1446-L1455 HydrophobicContact CB-CB 4.02Å; A1446-L1455 HydrophobicContact CB-CD1 4.29Å; I1447-L1455 HydrophobicContact CG1-CD2 4.1Å; Q1451-L1455 VanDerWaalsContact O-CB 3.31Å; Q1451-L1455 WeakPolarHBondContact O-CB 3.29Å; Q1451-L1455 PolarHBondContact O-N 3.33Å; L1455-I1458 PolarHBondContact O-N 3.38Å; L1455-I1459 HydrophobicContact CD1-CD1 4.03Å; L1455-I1459 HydrophobicContact CD1-CG1 4.46Å; L1455-I1459 HydrophobicContact CG-CD1 4.07Å; L1455-I1459 WeakPolarHBondContact O-CG1 3.39Å; L1455-I1459 PolarHBondContact O-N 3.15Å; L1455-I1459 VanDerWaalsContact O-N 3.14Å; L1455-F1478 HydrophobicContact CD2-CD1 3.7Å; L1455-F1478 HydrophobicContact CD2-CE1 4.03Å; L1455-F1479 HydrophobicContact CB-CE2 4.36Å; L1455-F1479 HydrophobicContact CB-CZ 3.9Å; L1455-F1479 HydrophobicContact CD2-CD2 4.27Å; L1455-F1479 HydrophobicContact CD2-CE2 3.43Å; L1455-F1479 VanDerWaalsContact CD2-CE2 3.43Å; L1455-F1479 HydrophobicContact CD2-CZ 3.63Å; L1455-F1479 HydrophobicContact CG-CE2 3.65Å; L1455-F1479 HydrophobicContact CG-CZ 3.71Å |
| 1456 | Q | 74.2 | Confident | 74.5 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 26% | 0.262 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 173.7 | -166.9 | 177.3 | 10.9 | 0 | 0 | 111.4 | F1452 D1453 A1454 I1458 I1459 S1460 R1487 E1490 | F1452-Q1456 PolarHBondContact O-N 2.73Å; D1453-Q1456 PolarHBondContact O-N 2.83Å; A1454-Q1456 PolarHBondContact O-N 2.84Å; Q1456-I1458 VanDerWaalsContact C-N 3.31Å; Q1456-I1458 PolarHBondContact O-N 3.35Å; Q1456-I1459 PolarHBondContact O-N 2.96Å; Q1456-S1460 PolarHBondContact O-N 2.82Å; Q1456-S1460 PolarHBondContact O-OG 3.14Å; Q1456-R1487 VanDerWaalsContact OE1-NE 3.11Å; Q1456-E1490 PolarHBondContact NE2-OE2 2.99Å |
| 1457 | S | 77 | Confident | 73.4 | Confident | 47 Ų | 47 | 65.9 Ų | 65.9 | 33% | 0.329 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.3 | -31 | 178.1 | 77.8 | 0 | 0 | 0 | 0 | 113.8 | D1453 A1454 S1460 | D1453-S1457 WeakPolarHBondContact O-CB 3.48Å; D1453-S1457 PolarHBondContact O-N 3.45Å; A1454-S1457 PolarHBondContact O-N 3.37Å; A1454-S1457 PolarHBondContact O-OG 2.56Å; S1457-S1460 PolarHBondContact O-OG 2.9Å |
| 1458 | I | 76.4 | Confident | 72.6 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.7 | -58.7 | 169.9 | -69.9 | 161.7 | 0 | 0 | 0 | 108.7 | I1430 H1434 I1439 A1442 I1443 A1454 L1455 Q1456 S1460 S1461 L1462 | I1430-I1458 HydrophobicContact CG2-CD1 3.63Å; H1434-I1458 HydrophobicContact CB-CD1 4.38Å; H1434-I1458 HydrophobicContact CB-CG1 3.86Å; I1439-I1458 HydrophobicContact CG2-CG2 4.45Å; A1442-I1458 HydrophobicContact CB-CD1 3.65Å; A1442-I1458 HydrophobicContact CB-CG1 4.47Å; I1443-I1458 HydrophobicContact CD1-CG2 4.4Å; I1443-I1458 HydrophobicContact CG1-CG2 4.05Å; A1454-I1458 WeakPolarHBondContact O-CG1 3.39Å; A1454-I1458 PolarHBondContact O-N 2.83Å; L1455-I1458 PolarHBondContact O-N 3.38Å; Q1456-I1458 VanDerWaalsContact C-N 3.31Å; Q1456-I1458 PolarHBondContact O-N 3.35Å; I1458-S1460 VanDerWaalsContact C-N 3.33Å; I1458-S1460 PolarHBondContact O-N 3.35Å; I1458-S1461 PolarHBondContact O-N 2.98Å; I1458-S1461 PolarHBondContact O-OG 3.26Å; I1458-L1462 HydrophobicContact CG2-CD1 4.28Å |
| 1459 | I | 72.8 | Confident | 71.9 | Confident | 16 Ų | 16 | 66.6 Ų | 66.6 | 8% | 0.082 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.3 | -33.2 | -168.8 | -58.3 | 163.1 | 0 | 0 | 0 | 112 | L1455 Q1456 S1461 L1462 C1475 F1479 I1491 | L1455-I1459 HydrophobicContact CD1-CD1 4.03Å; L1455-I1459 HydrophobicContact CD1-CG1 4.46Å; L1455-I1459 HydrophobicContact CG-CD1 4.07Å; L1455-I1459 WeakPolarHBondContact O-CG1 3.39Å; L1455-I1459 PolarHBondContact O-N 3.15Å; L1455-I1459 VanDerWaalsContact O-N 3.14Å; Q1456-I1459 PolarHBondContact O-N 2.96Å; I1459-S1461 PolarHBondContact O-N 3.41Å; I1459-S1461 VanDerWaalsContact O-N 3.09Å; I1459-L1462 PolarHBondContact O-N 3.34Å; I1459-C1475 HydrophobicContact CD1-CB 3.87Å; I1459-F1479 HydrophobicContact CD1-CE2 4.24Å; I1459-I1491 HydrophobicContact CB-CG1 4.5Å; I1459-I1491 HydrophobicContact CD1-CD1 3.54Å; I1459-I1491 HydrophobicContact CD1-CG1 3.79Å; I1459-I1491 HydrophobicContact CD1-CG2 4.28Å; I1459-I1491 HydrophobicContact CG2-CG1 4.01Å; I1459-I1491 HydrophobicContact CG2-CG2 4.44Å |
| 1460 | S | 71.9 | Confident | 71.7 | Confident | 102 Ų | 102 | 70.1 Ų | 70.1 | 71% | 0.713 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -8.1 | 174.4 | 61.3 | 0 | 0 | 0 | 0 | 114.9 | Q1456 S1457 I1458 | Q1456-S1460 PolarHBondContact O-N 2.82Å; Q1456-S1460 PolarHBondContact O-OG 3.14Å; S1457-S1460 PolarHBondContact O-OG 2.9Å; I1458-S1460 VanDerWaalsContact C-N 3.33Å; I1458-S1460 PolarHBondContact O-N 3.35Å |
| 1461 | S | 71.6 | Confident | 71.3 | Confident | 59 Ų | 59 | 65.3 Ų | 65.3 | 41% | 0.413 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 1.3 | 178.8 | 71.3 | 0 | 0 | 0 | 0 | 114.2 | H1434 I1458 I1459 | H1434-S1461 PolarHBondContact CE1-OG 3.36Å; H1434-S1461 PolarHBondContact NE2-OG 3.36Å; I1458-S1461 PolarHBondContact O-N 2.98Å; I1458-S1461 PolarHBondContact O-OG 3.26Å; I1459-S1461 PolarHBondContact O-N 3.41Å; I1459-S1461 VanDerWaalsContact O-N 3.09Å |
| 1462 | L | 66.5 | Low | 71.1 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | trans | -89.6 | 125.1 | -178.9 | -61.8 | 179.8 | 0 | 0 | 0 | 110.9 | I1439 I1458 I1459 L1467 | I1439-L1462 HydrophobicContact CB-CD2 4.36Å; I1439-L1462 HydrophobicContact CD1-CD2 3.58Å; I1439-L1462 HydrophobicContact CG1-CD2 3.72Å; I1439-L1462 HydrophobicContact CG2-CD1 3.75Å; I1439-L1462 HydrophobicContact CG2-CD2 3.69Å; I1439-L1462 HydrophobicContact CG2-CG 4.39Å; I1458-L1462 HydrophobicContact CG2-CD1 4.28Å; I1459-L1462 PolarHBondContact O-N 3.34Å; L1462-L1467 HydrophobicContact CB-CD1 4.23Å; L1462-L1467 HydrophobicContact CB-CD2 3.89Å; L1462-L1467 HydrophobicContact CB-CG 3.88Å; L1462-L1467 HydrophobicContact CD1-CD2 3.58Å; L1462-L1467 HydrophobicContact CD1-CG 4.38Å; L1462-L1467 HydrophobicContact CG-CD2 4.38Å | ||
| 1463 | N | 63.4 | Low | 71.2 | Confident | 110 Ų | 110 | 66.2 Ų | 66.2 | 59% | 0.588 | 36% | 0.36 | S | S | * | . | trans | -70.3 | 152.5 | 170.2 | -68.9 | -4.8 | 0 | 0 | 0 | 110.8 | E1465 Q1466 | N1463-E1465 PolarHBondContact O-N 3.04Å; N1463-Q1466 PolarHBondContact O-N 3.49Å | ||
| 1464 | D | 60.6 | Low | 71.4 | Confident | 99 Ų | 99 | 65 Ų | 65 | 53% | 0.529 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.4 | -33.3 | 176.3 | -88.2 | 11.4 | 0 | 0 | 0 | 115.3 | K1496 | D1464-K1496 IonicContact OD1-NZ 2.75Å; D1464-K1496 WeakPolarHBondContact OD2-CE 3.44Å; D1464-K1496 IonicContact OD2-NZ 2.65Å; D1464-K1496 PolarHBondContact OD2-NZ 2.85Å |
| 1465 | E | 60 | Low | 71.5 | Confident | 191 Ų | 191 | 64.2 Ų | 64.2 | 89% | 0.893 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -19.4 | -175.4 | -58.6 | -178.6 | 153.8 | 0 | 0 | 113.8 | N1463 | N1463-E1465 PolarHBondContact O-N 3.04Š|
| 1466 | Q | 60.4 | Low | 71.4 | Confident | 100 Ų | 100 | 64.3 Ų | 64.3 | 47% | 0.467 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -10.7 | -179 | -62.6 | -179.7 | -3.3 | 0 | 0 | 112.5 | I1439 N1463 N1468 | I1439-Q1466 HydrophobicContact CD1-CB 4.48Å; N1463-Q1466 PolarHBondContact O-N 3.49Å; Q1466-N1468 PolarHBondContact O-N 2.94Å |
| 1467 | L | 61 | Low | 71.9 | Confident | 28 Ų | 28 | 65.6 Ų | 65.6 | 15% | 0.147 | 35% | 0.351 | C | S | . | . | trans | -87.9 | 84.3 | -173.5 | -76.3 | 166.4 | 0 | 0 | 0 | 112.2 | L1462 I1472 | L1462-L1467 HydrophobicContact CB-CD1 4.23Å; L1462-L1467 HydrophobicContact CB-CD2 3.89Å; L1462-L1467 HydrophobicContact CB-CG 3.88Å; L1462-L1467 HydrophobicContact CD1-CD2 3.58Å; L1462-L1467 HydrophobicContact CD1-CG 4.38Å; L1462-L1467 HydrophobicContact CG-CD2 4.38Å; L1467-I1472 HydrophobicContact CB-CD1 3.98Å; L1467-I1472 HydrophobicContact CB-CG1 4.25Å; L1467-I1472 HydrophobicContact CD2-CG1 4.18Å | ||
| 1468 | N | 67.6 | Low | 72.2 | Confident | 93 Ų | 93 | 64 Ų | 64 | 50% | 0.497 | 34% | 0.338 | S | S | . | . | trans | -60.4 | 130.5 | 170.9 | -82 | -56.3 | 0 | 0 | 0 | 111.5 | Q1466 I1470 M1471 I1472 | Q1466-N1468 PolarHBondContact O-N 2.94Å; N1468-I1470 PolarHBondContact O-N 2.61Å; N1468-I1470 VanDerWaalsContact O-N 3.08Å; N1468-M1471 HydrophobicContact CB-CB 4.41Å; N1468-M1471 HydrophobicContact CB-CG 3.83Å; N1468-M1471 WeakPolarHBondContact O-CB 3.34Å; N1468-M1471 PolarHBondContact O-N 3.23Å; N1468-I1472 PolarHBondContact O-N 3.15Å; N1468-I1472 VanDerWaalsContact O-N 3.13Å | ||
| 1469 | P | 70.8 | Confident | 72.6 | Confident | 91 Ų | 91 | 63.9 Ų | 63.9 | 59% | 0.591 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -54.5 | -32.1 | -179.5 | -29.8 | 36.1 | 0 | 0 | 0 | 115 | K1473 | P1469-K1473 WeakPolarHBondContact O-CB 3.49Å; P1469-K1473 PolarHBondContact O-N 3.42Å |
| 1470 | I | 75.4 | Confident | 73.2 | Confident | 124 Ų | 124 | 65.7 Ų | 65.7 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.4 | -41.5 | 176.5 | -58.4 | 173.3 | 0 | 0 | 0 | 110.8 | N1468 K1473 Q1474 | N1468-I1470 PolarHBondContact O-N 2.61Å; N1468-I1470 VanDerWaalsContact O-N 3.08Å; I1470-K1473 PolarHBondContact O-N 2.92Å; I1470-Q1474 WeakPolarHBondContact O-CG 3.22Å; I1470-Q1474 PolarHBondContact O-N 3.03Å |
| 1471 | M | 74.3 | Confident | 73.8 | Confident | 23 Ų | 23 | 67.6 Ų | 67.6 | 11% | 0.113 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -71.2 | -41.4 | -179.8 | -55.4 | -60.6 | -61 | 0 | 0 | 110.9 | N1440 I1443 N1468 K1473 Q1474 C1475 | N1440-M1471 HydrophobicContact CB-CE 4.06Å; I1443-M1471 HydrophobicContact CB-CE 4.05Å; I1443-M1471 HydrophobicContact CD1-CE 4.03Å; I1443-M1471 HydrophobicContact CG2-CE 3.85Å; N1468-M1471 HydrophobicContact CB-CB 4.41Å; N1468-M1471 HydrophobicContact CB-CG 3.83Å; N1468-M1471 WeakPolarHBondContact O-CB 3.34Å; N1468-M1471 PolarHBondContact O-N 3.23Å; M1471-K1473 VanDerWaalsContact C-N 3.3Å; M1471-K1473 PolarHBondContact O-N 3.41Å; M1471-Q1474 PolarHBondContact O-N 3.07Å; M1471-C1475 WeakPolarHBondContact O-CB 3.41Å; M1471-C1475 PolarHBondContact O-N 3.13Å; M1471-C1475 PolarHBondContact O-SG 3Å |
| 1472 | I | 77.4 | Confident | 74.3 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -55.4 | -48.9 | 173.6 | -63 | 156.1 | 0 | 0 | 0 | 109.7 | L1467 N1468 C1475 S1476 I1491 L1492 G1495 | L1467-I1472 HydrophobicContact CB-CD1 3.98Å; L1467-I1472 HydrophobicContact CB-CG1 4.25Å; L1467-I1472 HydrophobicContact CD2-CG1 4.18Å; N1468-I1472 PolarHBondContact O-N 3.15Å; N1468-I1472 VanDerWaalsContact O-N 3.13Å; I1472-C1475 PolarHBondContact O-N 3.1Å; I1472-S1476 PolarHBondContact O-N 3.45Å; I1472-S1476 PolarHBondContact O-OG 2.87Å; I1472-I1491 HydrophobicContact CG2-CG2 4.11Å; I1472-L1492 HydrophobicContact CG2-CD2 4.37Å; I1472-G1495 VanDerWaalsContact CD1-CA 3.42Å |
| 1473 | K | 80.3 | Confident | 75.1 | Confident | 93 Ų | 93 | 71.2 Ų | 71.2 | 40% | 0.404 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 179.5 | -178.4 | 160.3 | -177.9 | 153.2 | 0 | 113.4 | P1469 I1470 M1471 C1475 S1476 E1477 | P1469-K1473 WeakPolarHBondContact O-CB 3.49Å; P1469-K1473 PolarHBondContact O-N 3.42Å; I1470-K1473 PolarHBondContact O-N 2.92Å; M1471-K1473 VanDerWaalsContact C-N 3.3Å; M1471-K1473 PolarHBondContact O-N 3.41Å; K1473-C1475 VanDerWaalsContact C-N 3.34Å; K1473-C1475 PolarHBondContact O-N 2.96Å; K1473-S1476 WeakPolarHBondContact CA-OG 3.45Å; K1473-S1476 PolarHBondContact O-N 3.48Å; K1473-S1476 PolarHBondContact O-OG 2.91Å; K1473-S1476 VanDerWaalsContact O-OG 3.06Å; K1473-E1477 WeakPolarHBondContact CE-OE1 3.36Å; K1473-E1477 HydrophobicContact CG-CG 4.28Å; K1473-E1477 IonicContact NZ-OE1 2.64Å; K1473-E1477 WeakPolarHBondContact O-CB 3.37Å; K1473-E1477 WeakPolarHBondContact O-CG 3.33Å; K1473-E1477 PolarHBondContact O-N 3.36Å |
| 1474 | Q | 80.8 | Confident | 76 | Confident | 84 Ų | 84 | 68.3 Ų | 68.3 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 174.8 | -75.7 | 173.9 | -23.1 | 0 | 0 | 111.9 | I1447 I1470 M1471 F1478 | I1447-Q1474 HydrophobicContact CD1-CB 4.44Å; I1470-Q1474 WeakPolarHBondContact O-CG 3.22Å; I1470-Q1474 PolarHBondContact O-N 3.03Å; M1471-Q1474 PolarHBondContact O-N 3.07Å; Q1474-F1478 VanDerWaalsContact O-CB 3.26Å; Q1474-F1478 WeakPolarHBondContact O-CB 3.39Å; Q1474-F1478 PolarHBondContact O-N 3.22Å |
| 1475 | C | 78.2 | Confident | 77.2 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.014 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 174.6 | -69.9 | 0 | 0 | 0 | 0 | 111.9 | I1443 I1459 M1471 I1472 K1473 F1478 F1479 I1491 | I1443-C1475 VanDerWaalsContact CG2-SG 3.54Å; I1459-C1475 HydrophobicContact CD1-CB 3.87Å; M1471-C1475 WeakPolarHBondContact O-CB 3.41Å; M1471-C1475 PolarHBondContact O-N 3.13Å; M1471-C1475 PolarHBondContact O-SG 3Å; I1472-C1475 PolarHBondContact O-N 3.1Å; K1473-C1475 VanDerWaalsContact C-N 3.34Å; K1473-C1475 PolarHBondContact O-N 2.96Å; C1475-F1478 PolarHBondContact O-N 2.74Å; C1475-F1479 WeakPolarHBondContact O-CD2 3.24Å; C1475-F1479 PolarHBondContact O-N 2.72Å; C1475-I1491 HydrophobicContact CB-CG2 4.07Å |
| 1476 | S | 79.6 | Confident | 78.2 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.8 | -46.1 | -179.6 | 67.2 | 0 | 0 | 0 | 0 | 111.7 | I1472 K1473 F1478 F1479 I1480 | I1472-S1476 PolarHBondContact O-N 3.45Å; I1472-S1476 PolarHBondContact O-OG 2.87Å; K1473-S1476 WeakPolarHBondContact CA-OG 3.45Å; K1473-S1476 PolarHBondContact O-N 3.48Å; K1473-S1476 PolarHBondContact O-OG 2.91Å; K1473-S1476 VanDerWaalsContact O-OG 3.06Å; S1476-F1478 VanDerWaalsContact C-N 3.27Å; S1476-F1478 PolarHBondContact O-N 3.23Å; S1476-F1479 PolarHBondContact O-N 3.3Å; S1476-I1480 WeakPolarHBondContact O-CB 3.22Å; S1476-I1480 VanDerWaalsContact O-CD1 3.3Å; S1476-I1480 WeakPolarHBondContact O-CD1 3.28Å; S1476-I1480 WeakPolarHBondContact O-CG1 3.31Å; S1476-I1480 PolarHBondContact O-N 3.43Å |
| 1477 | E | 84.3 | Confident | 79.1 | Confident | 82 Ų | 82 | 58.4 Ų | 58.4 | 38% | 0.383 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.7 | -40.8 | 173.2 | -74.4 | 179.9 | 177.5 | 0 | 0 | 111.7 | K1473 Q1481 | K1473-E1477 WeakPolarHBondContact CE-OE1 3.36Å; K1473-E1477 HydrophobicContact CG-CG 4.28Å; K1473-E1477 IonicContact NZ-OE1 2.64Å; K1473-E1477 WeakPolarHBondContact O-CB 3.37Å; K1473-E1477 WeakPolarHBondContact O-CG 3.33Å; K1473-E1477 PolarHBondContact O-N 3.36Å; E1477-Q1481 WeakPolarHBondContact O-CB 3.42Å; E1477-Q1481 WeakPolarHBondContact O-CG 3.49Å; E1477-Q1481 PolarHBondContact O-N 3.35Å |
| 1478 | F | 83.6 | Confident | 80.2 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 6% | 0.057 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 175.8 | 176 | -96.2 | 0 | 0 | 0 | 113 | I1447 K1450 F1452 L1455 Q1474 C1475 S1476 Q1481 N1482 | I1447-F1478 HydrophobicContact CB-CD2 4.2Å; I1447-F1478 HydrophobicContact CB-CG 4.43Å; I1447-F1478 HydrophobicContact CD1-CB 4.39Å; I1447-F1478 HydrophobicContact CG1-CB 4.14Å; I1447-F1478 HydrophobicContact CG1-CD1 4.2Å; I1447-F1478 HydrophobicContact CG1-CD2 4.16Å; I1447-F1478 HydrophobicContact CG1-CG 3.88Å; I1447-F1478 HydrophobicContact CG2-CD2 3.77Å; I1447-F1478 HydrophobicContact CG2-CE2 4.28Å; I1447-F1478 HydrophobicContact CG2-CG 4.29Å; I1447-F1478 VanDerWaalsContact O-CE2 3.3Å; I1447-F1478 WeakPolarHBondContact O-CE2 3.38Å; K1450-F1478 HydrophobicContact CB-CZ 4.28Å; K1450-F1478 HydrophobicContact CG-CE2 4.31Å; K1450-F1478 HydrophobicContact CG-CZ 4.28Å; F1452-F1478 AromaticContact CD1-CE1 3.75Å; F1452-F1478 HydrophobicContact CD1-CE1 3.75Å; F1452-F1478 HydrophobicContact CD1-CZ 4.2Å; F1452-F1478 AromaticContact CE1-CE1 3.56Å; F1452-F1478 HydrophobicContact CE1-CE1 3.56Å; F1452-F1478 AromaticContact CE1-CZ 3.6Å; F1452-F1478 HydrophobicContact CE1-CZ 3.6Å; F1452-F1478 HydrophobicContact CZ-CZ 4.33Å; L1455-F1478 HydrophobicContact CD2-CD1 3.7Å; L1455-F1478 HydrophobicContact CD2-CE1 4.03Å; Q1474-F1478 VanDerWaalsContact O-CB 3.26Å; Q1474-F1478 WeakPolarHBondContact O-CB 3.39Å; Q1474-F1478 PolarHBondContact O-N 3.22Å; C1475-F1478 PolarHBondContact O-N 2.74Å; S1476-F1478 VanDerWaalsContact C-N 3.27Å; S1476-F1478 PolarHBondContact O-N 3.23Å; F1478-Q1481 PolarHBondContact O-N 2.93Å; F1478-N1482 VanDerWaalsContact CE2-ND2 3.25Å; F1478-N1482 WeakPolarHBondContact CE2-ND2 3.36Å; F1478-N1482 WeakPolarHBondContact CZ-ND2 3.37Å; F1478-N1482 PolarHBondContact O-N 2.61Å; F1478-N1482 PolarHBondContact O-ND2 2.98Å |
| 1479 | F | 84.5 | Confident | 81 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.4 | -36.3 | 177.5 | -78.3 | -71.1 | 0 | 0 | 0 | 112.4 | F1452 L1455 I1459 C1475 S1476 N1482 N1483 Q1484 R1487 A1488 I1491 | F1452-F1479 HydrophobicContact CB-CE1 4.26Å; F1452-F1479 HydrophobicContact CD1-CD1 4.3Å; F1452-F1479 HydrophobicContact CD1-CE1 4.1Å; L1455-F1479 HydrophobicContact CB-CE2 4.36Å; L1455-F1479 HydrophobicContact CB-CZ 3.9Å; L1455-F1479 HydrophobicContact CD2-CD2 4.27Å; L1455-F1479 HydrophobicContact CD2-CE2 3.43Å; L1455-F1479 VanDerWaalsContact CD2-CE2 3.43Å; L1455-F1479 HydrophobicContact CD2-CZ 3.63Å; L1455-F1479 HydrophobicContact CG-CE2 3.65Å; L1455-F1479 HydrophobicContact CG-CZ 3.71Å; I1459-F1479 HydrophobicContact CD1-CE2 4.24Å; C1475-F1479 WeakPolarHBondContact O-CD2 3.24Å; C1475-F1479 PolarHBondContact O-N 2.72Å; S1476-F1479 PolarHBondContact O-N 3.3Å; F1479-N1482 CarbonylContact O-C 3.4Å; F1479-N1482 PolarHBondContact O-N 3.06Å; F1479-N1483 PolarHBondContact O-N 2.94Å; F1479-Q1484 HydrophobicContact CB-CB 4.43Å; F1479-Q1484 HydrophobicContact CD1-CB 3.86Å; F1479-Q1484 VanDerWaalsContact CD1-OE1 3.28Å; F1479-Q1484 VanDerWaalsContact CE1-OE1 3.31Å; F1479-Q1484 PolarHBondContact O-N 2.97Å; F1479-R1487 HydrophobicContact CD1-CB 3.87Å; F1479-R1487 HydrophobicContact CE1-CB 4.04Å; F1479-R1487 HydrophobicContact CG-CB 4.17Å; F1479-R1487 HydrophobicContact CZ-CB 4.5Å; F1479-A1488 HydrophobicContact CB-CB 3.86Å; F1479-I1491 HydrophobicContact CD2-CD1 3.19Å; F1479-I1491 HydrophobicContact CE2-CD1 3.16Å; F1479-I1491 HydrophobicContact CG-CD1 4.23Å; F1479-I1491 HydrophobicContact CZ-CD1 4.15Å |
| 1480 | I | 85.3 | Confident | 81.4 | Confident | 54 Ų | 54 | 51.1 Ų | 51.1 | 28% | 0.277 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.8 | -48.7 | 172.3 | -64.7 | 158.6 | 0 | 0 | 0 | 110.5 | S1476 N1482 N1483 F1485 A1488 L1504 | S1476-I1480 WeakPolarHBondContact O-CB 3.22Å; S1476-I1480 VanDerWaalsContact O-CD1 3.3Å; S1476-I1480 WeakPolarHBondContact O-CD1 3.28Å; S1476-I1480 WeakPolarHBondContact O-CG1 3.31Å; S1476-I1480 PolarHBondContact O-N 3.43Å; I1480-N1482 PolarHBondContact O-N 3.15Å; I1480-N1482 VanDerWaalsContact O-N 3.12Å; I1480-N1483 PolarHBondContact O-N 2.79Å; I1480-F1485 HydrophobicContact CG2-CE1 4.45Å; I1480-A1488 HydrophobicContact CG1-CB 3.94Å; I1480-L1504 HydrophobicContact CD1-CD1 3.77Å; I1480-L1504 HydrophobicContact CD1-CD2 4.04Å; I1480-L1504 HydrophobicContact CG1-CD1 3.9Å; I1480-L1504 HydrophobicContact CG1-CD2 4.08Å |
| 1481 | Q | 84.3 | Confident | 81.6 | Confident | 141 Ų | 141 | 45.6 Ų | 45.6 | 66% | 0.659 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -61.2 | -20.8 | 179.5 | -76.7 | 171.6 | 36.9 | 0 | 0 | 114.2 | E1477 F1478 | E1477-Q1481 WeakPolarHBondContact O-CB 3.42Å; E1477-Q1481 WeakPolarHBondContact O-CG 3.49Å; E1477-Q1481 PolarHBondContact O-N 3.35Å; F1478-Q1481 PolarHBondContact O-N 2.93Å |
| 1482 | N | 81.8 | Confident | 82 | Confident | 35 Ų | 35 | 44.6 Ų | 44.6 | 19% | 0.187 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 21.1 | 177.4 | -60.7 | -88.1 | 0 | 0 | 0 | 112.7 | K1450 F1452 F1478 F1479 I1480 Q1484 | K1450-N1482 PolarHBondContact NZ-OD1 3.19Å; K1450-N1482 VanDerWaalsContact NZ-OD1 3.15Å; F1452-N1482 HydrophobicContact CE1-CB 3.48Å; F1452-N1482 VanDerWaalsContact CE1-CB 3.48Å; F1452-N1482 HydrophobicContact CZ-CB 3.74Å; F1478-N1482 VanDerWaalsContact CE2-ND2 3.25Å; F1478-N1482 WeakPolarHBondContact CE2-ND2 3.36Å; F1478-N1482 WeakPolarHBondContact CZ-ND2 3.37Å; F1478-N1482 PolarHBondContact O-N 2.61Å; F1478-N1482 PolarHBondContact O-ND2 2.98Å; F1479-N1482 CarbonylContact O-C 3.4Å; F1479-N1482 PolarHBondContact O-N 3.06Å; I1480-N1482 PolarHBondContact O-N 3.15Å; I1480-N1482 VanDerWaalsContact O-N 3.12Å; N1482-Q1484 VanDerWaalsContact C-N 3.31Å; N1482-Q1484 PolarHBondContact O-N 2.99Å |
| 1483 | N | 83.4 | Confident | 82.1 | Confident | 122 Ų | 122 | 44.4 Ų | 44.4 | 65% | 0.652 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 26.2 | 175.3 | -57.4 | -35.7 | 0 | 0 | 0 | 116.3 | F1479 I1480 F1485 | F1479-N1483 PolarHBondContact O-N 2.94Å; I1480-N1483 PolarHBondContact O-N 2.79Å; N1483-F1485 VanDerWaalsContact CA-CZ 3.49Å; N1483-F1485 HydrophobicContact CB-CE2 3.94Å; N1483-F1485 HydrophobicContact CB-CZ 3.81Å; N1483-F1485 PolarHBondContact O-N 2.74Å; N1483-F1485 WeakPolarHBondContact OD1-CZ 3.34Å |
| 1484 | Q | 81.9 | Confident | 81.9 | Confident | 48 Ų | 48 | 42 Ų | 42 | 22% | 0.224 | 21% | 0.211 | C | C | . | . | trans | -103.6 | 60.7 | 179.5 | -71.4 | -172.2 | -2.7 | 0 | 0 | 111.2 | F1452 F1479 N1482 D1486 R1487 A1488 | F1452-Q1484 VanDerWaalsContact CB-OE1 3.3Å; F1452-Q1484 VanDerWaalsContact CG-NE2 3.26Å; F1479-Q1484 HydrophobicContact CB-CB 4.43Å; F1479-Q1484 HydrophobicContact CD1-CB 3.86Å; F1479-Q1484 VanDerWaalsContact CD1-OE1 3.28Å; F1479-Q1484 VanDerWaalsContact CE1-OE1 3.31Å; F1479-Q1484 PolarHBondContact O-N 2.97Å; N1482-Q1484 VanDerWaalsContact C-N 3.31Å; N1482-Q1484 PolarHBondContact O-N 2.99Å; Q1484-D1486 VanDerWaalsContact C-N 3.34Å; Q1484-D1486 PolarHBondContact O-N 3.19Å; Q1484-R1487 PolarHBondContact O-N 3.24Å; Q1484-A1488 PolarHBondContact O-N 3.35Å; Q1484-A1488 VanDerWaalsContact O-N 3.15Å | ||
| 1485 | F | 85.7 | Confident | 81.5 | Confident | 36 Ų | 36 | 38.7 Ų | 38.7 | 16% | 0.158 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -37.2 | -169.3 | -43.9 | -69.6 | 0 | 0 | 0 | 113 | I1480 N1483 R1487 A1488 V1489 H1508 I1510 | I1480-F1485 HydrophobicContact CG2-CE1 4.45Å; N1483-F1485 VanDerWaalsContact CA-CZ 3.49Å; N1483-F1485 HydrophobicContact CB-CE2 3.94Å; N1483-F1485 HydrophobicContact CB-CZ 3.81Å; N1483-F1485 PolarHBondContact O-N 2.74Å; N1483-F1485 WeakPolarHBondContact OD1-CZ 3.34Å; F1485-R1487 VanDerWaalsContact C-N 3.3Å; F1485-R1487 PolarHBondContact O-N 2.99Å; F1485-A1488 WeakPolarHBondContact O-CB 3.2Å; F1485-A1488 PolarHBondContact O-N 3.17Å; F1485-A1488 VanDerWaalsContact O-N 3.16Å; F1485-V1489 PolarHBondContact O-N 3.02Å; F1485-H1508 HydrophobicContact CB-CB 3.93Å; F1485-H1508 HydrophobicContact CD1-CB 4.35Å; F1485-H1508 AromaticContact CD1-CD2 3.46Å; F1485-H1508 VanDerWaalsContact CD1-CD2 3.46Å; F1485-H1508 WeakPolarHBondContact CD1-CD2 3.43Å; F1485-H1508 AromaticContact CD1-CE1 3.82Å; F1485-H1508 AromaticContact CD1-CG 3.64Å; F1485-H1508 AromaticContact CD1-ND1 3.87Å; F1485-H1508 AromaticContact CD1-NE2 3.57Å; F1485-H1508 HydrophobicContact CD2-CB 3.79Å; F1485-H1508 AromaticContact CD2-CG 3.71Å; F1485-H1508 AromaticContact CD2-ND1 3.77Å; F1485-H1508 AromaticContact CE1-CD2 3.79Å; F1485-H1508 AromaticContact CE1-CE1 3.31Å; F1485-H1508 WeakPolarHBondContact CE1-CE1 3.13Å; F1485-H1508 AromaticContact CE1-CG 3.9Å; F1485-H1508 AromaticContact CE1-ND1 3.62Å; F1485-H1508 AromaticContact CE1-NE2 3.41Å; F1485-H1508 WeakPolarHBondContact CE1-NE2 3.38Å; F1485-H1508 HydrophobicContact CE2-CB 4.39Å; F1485-H1508 AromaticContact CE2-CE1 4Å; F1485-H1508 AromaticContact CE2-CG 3.95Å; F1485-H1508 AromaticContact CE2-ND1 3.51Å; F1485-H1508 HydrophobicContact CG-CB 3.76Å; F1485-H1508 AromaticContact CG-CD2 3.78Å; F1485-H1508 AromaticContact CG-CG 3.53Å; F1485-H1508 AromaticContact CG-ND1 3.94Å; F1485-H1508 AromaticContact CZ-CE1 3.4Å; F1485-H1508 VanDerWaalsContact CZ-CE1 3.4Å; F1485-H1508 WeakPolarHBondContact CZ-CE1 3.17Å; F1485-H1508 AromaticContact CZ-ND1 3.42Å; F1485-H1508 WeakPolarHBondContact CZ-ND1 3.2Å; F1485-H1508 AromaticContact CZ-NE2 3.99Å; F1485-I1510 HydrophobicContact CB-CD1 3.67Å; F1485-I1510 HydrophobicContact CB-CG1 4Å; F1485-I1510 WeakPolarHBondContact O-CD1 3.27Å |
| 1486 | D | 81.6 | Confident | 81.4 | Confident | 94 Ų | 94 | 43.2 Ų | 43.2 | 50% | 0.503 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -52.9 | -47.8 | 175.1 | -49 | -23.2 | 0 | 0 | 0 | 111.6 | Q1484 V1489 E1490 I1510 | Q1484-D1486 VanDerWaalsContact C-N 3.34Å; Q1484-D1486 PolarHBondContact O-N 3.19Å; D1486-V1489 PolarHBondContact O-N 3.38Å; D1486-E1490 PolarHBondContact O-N 2.82Å; D1486-E1490 VanDerWaalsContact O-N 3.12Å; D1486-I1510 HydrophobicContact CB-CG2 4.48Å; D1486-I1510 WeakPolarHBondContact OD1-CG2 3.46Å |
| 1487 | R | 78.9 | Confident | 81.4 | Confident | 53 Ų | 53 | 45 Ų | 45 | 20% | 0.2 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.2 | -40.8 | 179.9 | -59.2 | -173.7 | -173.2 | -162.4 | -0.3 | 111.1 | F1452 D1453 Q1456 F1479 Q1484 F1485 V1489 E1490 I1491 | F1452-R1487 PolarHBondContact O-NH1 3.25Å; D1453-R1487 IonicContact OD1-CZ 2.69Å; D1453-R1487 IonicContact OD1-NH1 2.71Å; D1453-R1487 PolarHBondContact OD1-NH1 3.28Å; D1453-R1487 IonicContact OD1-NH2 3.03Å; D1453-R1487 PolarHBondContact OD1-NH2 3.03Å; Q1456-R1487 VanDerWaalsContact OE1-NE 3.11Å; F1479-R1487 HydrophobicContact CD1-CB 3.87Å; F1479-R1487 HydrophobicContact CE1-CB 4.04Å; F1479-R1487 HydrophobicContact CG-CB 4.17Å; F1479-R1487 HydrophobicContact CZ-CB 4.5Å; Q1484-R1487 PolarHBondContact O-N 3.24Å; F1485-R1487 VanDerWaalsContact C-N 3.3Å; F1485-R1487 PolarHBondContact O-N 2.99Å; R1487-V1489 VanDerWaalsContact C-N 3.26Å; R1487-V1489 PolarHBondContact O-N 3.33Å; R1487-E1490 PolarHBondContact O-N 2.95Å; R1487-I1491 VanDerWaalsContact O-CD1 3.23Å; R1487-I1491 WeakPolarHBondContact O-CD1 3.04Å; R1487-I1491 WeakPolarHBondContact O-CG1 3.48Å; R1487-I1491 PolarHBondContact O-N 3.11Å; R1487-I1491 VanDerWaalsContact O-N 3.12Å |
| 1488 | A | 83.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.6 | -39.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1479 I1480 Q1484 F1485 I1491 L1492 L1504 | F1479-A1488 HydrophobicContact CB-CB 3.86Å; I1480-A1488 HydrophobicContact CG1-CB 3.94Å; Q1484-A1488 PolarHBondContact O-N 3.35Å; Q1484-A1488 VanDerWaalsContact O-N 3.15Å; F1485-A1488 WeakPolarHBondContact O-CB 3.2Å; F1485-A1488 PolarHBondContact O-N 3.17Å; F1485-A1488 VanDerWaalsContact O-N 3.16Å; A1488-I1491 PolarHBondContact O-N 3.33Å; A1488-L1492 WeakPolarHBondContact O-CG 3.44Å; A1488-L1492 PolarHBondContact O-N 2.82Å; A1488-L1504 HydrophobicContact CB-CD1 3.97Å |
| 1489 | V | 84.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69 | -41.8 | 176.5 | 169.4 | 0 | 0 | 0 | 0 | 112.4 | F1485 D1486 R1487 I1491 L1492 A1493 A1501 L1504 I1510 L1516 L1520 | F1485-V1489 PolarHBondContact O-N 3.02Å; D1486-V1489 PolarHBondContact O-N 3.38Å; R1487-V1489 VanDerWaalsContact C-N 3.26Å; R1487-V1489 PolarHBondContact O-N 3.33Å; V1489-I1491 PolarHBondContact O-N 3.38Å; V1489-L1492 PolarHBondContact O-N 3.17Å; V1489-A1493 VanDerWaalsContact O-CB 3.25Å; V1489-A1493 WeakPolarHBondContact O-CB 3.3Å; V1489-A1493 PolarHBondContact O-N 3.36Å; V1489-A1501 HydrophobicContact CG1-CB 4.2Å; V1489-A1501 WeakPolarHBondContact CG2-O 3.15Å; V1489-L1504 HydrophobicContact CG2-CB 3.66Å; V1489-L1504 HydrophobicContact CG2-CD1 4.26Å; V1489-I1510 HydrophobicContact CB-CD1 4.18Å; V1489-I1510 HydrophobicContact CG2-CD1 3.35Å; V1489-L1516 HydrophobicContact CG1-CD1 4.11Å; V1489-L1516 HydrophobicContact CG1-CD2 4.4Å; V1489-L1520 HydrophobicContact CG1-CD1 4.3Å; V1489-L1520 HydrophobicContact CG1-CD2 4.28Å |
| 1490 | E | 79.4 | Confident | 81.4 | Confident | 59 Ų | 59 | 49.4 Ų | 49.4 | 28% | 0.276 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.3 | -39.1 | 173.9 | -66.5 | -153.2 | 109.8 | 0 | 0 | 112.1 | Q1456 D1486 R1487 A1494 L1516 K1519 | Q1456-E1490 PolarHBondContact NE2-OE2 2.99Å; D1486-E1490 PolarHBondContact O-N 2.82Å; D1486-E1490 VanDerWaalsContact O-N 3.12Å; R1487-E1490 PolarHBondContact O-N 2.95Å; E1490-A1494 WeakPolarHBondContact O-CB 3.19Å; E1490-A1494 PolarHBondContact O-N 2.99Å; E1490-L1516 HydrophobicContact CG-CD1 4.2Å; E1490-K1519 IonicContact OE1-NZ 3.44Å; E1490-K1519 PolarHBondContact OE1-NZ 3.01Å |
| 1491 | I | 79.7 | Confident | 81.3 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -73.2 | -43.6 | -177.4 | -65.3 | 161.7 | 0 | 0 | 0 | 111.4 | I1459 I1472 C1475 F1479 R1487 A1488 V1489 A1493 A1494 G1495 | I1459-I1491 HydrophobicContact CB-CG1 4.5Å; I1459-I1491 HydrophobicContact CD1-CD1 3.54Å; I1459-I1491 HydrophobicContact CD1-CG1 3.79Å; I1459-I1491 HydrophobicContact CD1-CG2 4.28Å; I1459-I1491 HydrophobicContact CG2-CG1 4.01Å; I1459-I1491 HydrophobicContact CG2-CG2 4.44Å; I1472-I1491 HydrophobicContact CG2-CG2 4.11Å; C1475-I1491 HydrophobicContact CB-CG2 4.07Å; F1479-I1491 HydrophobicContact CD2-CD1 3.19Å; F1479-I1491 HydrophobicContact CE2-CD1 3.16Å; F1479-I1491 HydrophobicContact CG-CD1 4.23Å; F1479-I1491 HydrophobicContact CZ-CD1 4.15Å; R1487-I1491 VanDerWaalsContact O-CD1 3.23Å; R1487-I1491 WeakPolarHBondContact O-CD1 3.04Å; R1487-I1491 WeakPolarHBondContact O-CG1 3.48Å; R1487-I1491 PolarHBondContact O-N 3.11Å; R1487-I1491 VanDerWaalsContact O-N 3.12Å; A1488-I1491 PolarHBondContact O-N 3.33Å; V1489-I1491 PolarHBondContact O-N 3.38Å; I1491-A1493 VanDerWaalsContact C-N 3.32Å; I1491-A1494 PolarHBondContact O-N 3.33Å; I1491-G1495 PolarHBondContact O-N 2.79Å |
| 1492 | L | 82.2 | Confident | 81.3 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.7 | -32.9 | 175.2 | -70.6 | 165.6 | 0 | 0 | 0 | 112 | I1472 A1488 V1489 G1495 K1496 Q1497 E1500 A1501 L1504 | I1472-L1492 HydrophobicContact CG2-CD2 4.37Å; A1488-L1492 WeakPolarHBondContact O-CG 3.44Å; A1488-L1492 PolarHBondContact O-N 2.82Å; V1489-L1492 PolarHBondContact O-N 3.17Å; L1492-G1495 CarbonylContact O-C 3.56Å; L1492-K1496 PolarHBondContact O-N 2.78Å; L1492-Q1497 HydrophobicContact CB-CB 4.33Å; L1492-Q1497 HydrophobicContact CD2-CB 3.8Å; L1492-Q1497 HydrophobicContact CD2-CG 4.4Å; L1492-Q1497 PolarHBondContact O-N 3.12Å; L1492-E1500 HydrophobicContact CD1-CB 4.05Å; L1492-E1500 HydrophobicContact CD2-CB 4.21Å; L1492-A1501 HydrophobicContact CB-CB 3.7Å; L1492-L1504 HydrophobicContact CD1-CD1 3.53Å |
| 1493 | A | 79.8 | Confident | 81.5 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.2 | -48.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1489 I1491 G1495 K1496 K1519 L1520 | V1489-A1493 VanDerWaalsContact O-CB 3.25Å; V1489-A1493 WeakPolarHBondContact O-CB 3.3Å; V1489-A1493 PolarHBondContact O-N 3.36Å; I1491-A1493 VanDerWaalsContact C-N 3.32Å; A1493-G1495 VanDerWaalsContact C-N 3.33Å; A1493-G1495 PolarHBondContact O-N 3.08Å; A1493-K1496 PolarHBondContact O-N 2.94Å; A1493-K1496 VanDerWaalsContact O-N 3.12Å; A1493-K1519 HydrophobicContact CB-CB 4.34Å; A1493-L1520 HydrophobicContact CB-CD2 3.73Å; A1493-L1520 HydrophobicContact CB-CG 4.27Å |
| 1494 | A | 75.8 | Confident | 81.7 | Confident | 42 Ų | 42 | 39.1 Ų | 39.1 | 35% | 0.347 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61 | -42.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1490 I1491 K1496 | E1490-A1494 WeakPolarHBondContact O-CB 3.19Å; E1490-A1494 PolarHBondContact O-N 2.99Å; I1491-A1494 PolarHBondContact O-N 3.33Å; A1494-K1496 PolarHBondContact O-N 2.93Å; A1494-K1496 VanDerWaalsContact O-N 3.13Å |
| 1495 | G | 72.9 | Confident | 81.8 | Confident | 14 Ų | 14 | 36.9 Ų | 36.9 | 14% | 0.144 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 6.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | I1472 I1491 L1492 A1493 Q1497 | I1472-G1495 VanDerWaalsContact CD1-CA 3.42Å; I1491-G1495 PolarHBondContact O-N 2.79Å; L1492-G1495 CarbonylContact O-C 3.56Å; A1493-G1495 VanDerWaalsContact C-N 3.33Å; A1493-G1495 PolarHBondContact O-N 3.08Å; G1495-Q1497 PolarHBondContact O-N 3.07Å; G1495-Q1497 VanDerWaalsContact O-N 3.1Å |
| 1496 | K | 75.7 | Confident | 81.7 | Confident | 97 Ų | 97 | 42 Ų | 42 | 42% | 0.422 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 15 | 178.9 | -60 | 152.8 | -174 | 167.3 | 0 | 114.5 | D1464 L1492 A1493 A1494 Y1498 | D1464-K1496 IonicContact OD1-NZ 2.75Å; D1464-K1496 WeakPolarHBondContact OD2-CE 3.44Å; D1464-K1496 IonicContact OD2-NZ 2.65Å; D1464-K1496 PolarHBondContact OD2-NZ 2.85Å; L1492-K1496 PolarHBondContact O-N 2.78Å; A1493-K1496 PolarHBondContact O-N 2.94Å; A1493-K1496 VanDerWaalsContact O-N 3.12Å; A1494-K1496 PolarHBondContact O-N 2.93Å; A1494-K1496 VanDerWaalsContact O-N 3.13Å; K1496-Y1498 HydrophobicContact CB-CE2 3.96Å; K1496-Y1498 HydrophobicContact CG-CE2 4.34Å; K1496-Y1498 VanDerWaalsContact O-CD2 3.28Å; K1496-Y1498 WeakPolarHBondContact O-CD2 3.41Å; K1496-Y1498 PolarHBondContact O-N 3.13Å |
| 1497 | Q | 80.7 | Confident | 81.9 | Confident | 42 Ų | 42 | 42.5 Ų | 42.5 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | trans | -84.3 | 53 | 174.5 | -67.5 | -177.6 | -92 | 0 | 0 | 110.6 | L1492 G1495 C1499 E1500 A1501 | L1492-Q1497 HydrophobicContact CB-CB 4.33Å; L1492-Q1497 HydrophobicContact CD2-CB 3.8Å; L1492-Q1497 HydrophobicContact CD2-CG 4.4Å; L1492-Q1497 PolarHBondContact O-N 3.12Å; G1495-Q1497 PolarHBondContact O-N 3.07Å; G1495-Q1497 VanDerWaalsContact O-N 3.1Å; Q1497-C1499 VanDerWaalsContact C-N 3.27Å; Q1497-C1499 PolarHBondContact O-N 2.93Å; Q1497-C1499 VanDerWaalsContact O-N 3.16Å; Q1497-E1500 HydrophobicContact CB-CB 4.49Å; Q1497-E1500 VanDerWaalsContact NE2-CD 3.35Å; Q1497-E1500 PolarHBondContact NE2-OE1 2.85Å; Q1497-E1500 PolarHBondContact NE2-OE2 3.34Å; Q1497-E1500 PolarHBondContact O-N 3.02Å; Q1497-E1500 VanDerWaalsContact O-N 3.08Å; Q1497-A1501 PolarHBondContact O-N 2.97Å; Q1497-A1501 VanDerWaalsContact O-N 3.13Å | ||
| 1498 | Y | 84.5 | Confident | 82.1 | Confident | 21 Ų | 21 | 43.4 Ų | 43.4 | 8% | 0.082 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.9 | -38 | -170.6 | -56.7 | -67.2 | 0 | 0 | 0 | 113.6 | K1496 A1501 I1502 P1522 L1535 | K1496-Y1498 HydrophobicContact CB-CE2 3.96Å; K1496-Y1498 HydrophobicContact CG-CE2 4.34Å; K1496-Y1498 VanDerWaalsContact O-CD2 3.28Å; K1496-Y1498 WeakPolarHBondContact O-CD2 3.41Å; K1496-Y1498 PolarHBondContact O-N 3.13Å; Y1498-A1501 PolarHBondContact O-N 3.02Å; Y1498-I1502 VanDerWaalsContact O-CB 3.29Å; Y1498-I1502 WeakPolarHBondContact O-CB 3.45Å; Y1498-I1502 WeakPolarHBondContact O-CD1 3.35Å; Y1498-I1502 WeakPolarHBondContact O-CG1 3.38Å; Y1498-I1502 PolarHBondContact O-N 3.28Å; Y1498-P1522 HydrophobicContact CD2-CB 4.35Å; Y1498-P1522 HydrophobicContact CE2-CB 3.85Å; Y1498-L1535 HydrophobicContact CD2-CD1 4.47Å |
| 1499 | C | 83.1 | Confident | 82 | Confident | 82 Ų | 82 | 51.1 Ų | 51.1 | 55% | 0.554 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.4 | -44.3 | 178.3 | -57.2 | 0 | 0 | 0 | 0 | 112.7 | Q1497 I1502 Q1503 | Q1497-C1499 VanDerWaalsContact C-N 3.27Å; Q1497-C1499 PolarHBondContact O-N 2.93Å; Q1497-C1499 VanDerWaalsContact O-N 3.16Å; C1499-I1502 PolarHBondContact O-N 3.02Å; C1499-Q1503 WeakPolarHBondContact O-CB 3.47Å; C1499-Q1503 PolarHBondContact O-N 2.74Å |
| 1500 | E | 83.1 | Confident | 81.8 | Confident | 83 Ų | 83 | 51.4 Ų | 51.4 | 39% | 0.388 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -70.6 | -38.6 | -179.6 | -63.7 | 177.9 | -167.6 | 0 | 0 | 110.4 | L1492 Q1497 Q1503 L1504 | L1492-E1500 HydrophobicContact CD1-CB 4.05Å; L1492-E1500 HydrophobicContact CD2-CB 4.21Å; Q1497-E1500 HydrophobicContact CB-CB 4.49Å; Q1497-E1500 VanDerWaalsContact NE2-CD 3.35Å; Q1497-E1500 PolarHBondContact NE2-OE1 2.85Å; Q1497-E1500 PolarHBondContact NE2-OE2 3.34Å; Q1497-E1500 PolarHBondContact O-N 3.02Å; Q1497-E1500 VanDerWaalsContact O-N 3.08Å; E1500-Q1503 PolarHBondContact O-N 2.67Å; E1500-L1504 PolarHBondContact O-N 2.79Å |
| 1501 | A | 84.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1489 L1492 Q1497 Y1498 Q1503 L1504 C1505 L1520 | V1489-A1501 HydrophobicContact CG1-CB 4.2Å; V1489-A1501 WeakPolarHBondContact CG2-O 3.15Å; L1492-A1501 HydrophobicContact CB-CB 3.7Å; Q1497-A1501 PolarHBondContact O-N 2.97Å; Q1497-A1501 VanDerWaalsContact O-N 3.13Å; Y1498-A1501 PolarHBondContact O-N 3.02Å; A1501-Q1503 VanDerWaalsContact C-N 3.33Å; A1501-Q1503 PolarHBondContact O-N 2.98Å; A1501-L1504 PolarHBondContact O-N 2.69Å; A1501-C1505 PolarHBondContact O-N 3.35Å; A1501-L1520 HydrophobicContact CB-CD2 3.58Å |
| 1502 | I | 84.4 | Confident | 81.9 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 175.6 | -76.3 | 166.7 | 0 | 0 | 0 | 111.1 | Y1498 C1499 C1505 Y1506 L1535 Q1538 L1539 L1542 | Y1498-I1502 VanDerWaalsContact O-CB 3.29Å; Y1498-I1502 WeakPolarHBondContact O-CB 3.45Å; Y1498-I1502 WeakPolarHBondContact O-CD1 3.35Å; Y1498-I1502 WeakPolarHBondContact O-CG1 3.38Å; Y1498-I1502 PolarHBondContact O-N 3.28Å; C1499-I1502 PolarHBondContact O-N 3.02Å; I1502-C1505 WeakPolarHBondContact O-CB 3.49Å; I1502-C1505 PolarHBondContact O-N 2.82Å; I1502-Y1506 PolarHBondContact O-N 2.82Å; I1502-Y1506 VanDerWaalsContact O-N 3.09Å; I1502-L1535 HydrophobicContact CD1-CD2 3.65Å; I1502-Q1538 HydrophobicContact CG2-CB 4Å; I1502-L1539 HydrophobicContact CD1-CD1 4.34Å; I1502-L1539 HydrophobicContact CD1-CD2 3.99Å; I1502-L1539 HydrophobicContact CD1-CG 3.79Å; I1502-L1539 HydrophobicContact CG1-CD2 3.74Å; I1502-L1539 HydrophobicContact CG1-CG 4.11Å; I1502-L1542 HydrophobicContact CB-CD1 4.31Å; I1502-L1542 HydrophobicContact CG1-CD1 4.39Å; I1502-L1542 HydrophobicContact CG2-CD1 3.84Å |
| 1503 | Q | 85.4 | Confident | 81.8 | Confident | 111 Ų | 111 | 56.6 Ų | 56.6 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 178.4 | -174.8 | 169.5 | -16.6 | 0 | 0 | 112 | C1499 E1500 A1501 C1505 Y1506 E1507 | C1499-Q1503 WeakPolarHBondContact O-CB 3.47Å; C1499-Q1503 PolarHBondContact O-N 2.74Å; E1500-Q1503 PolarHBondContact O-N 2.67Å; A1501-Q1503 VanDerWaalsContact C-N 3.33Å; A1501-Q1503 PolarHBondContact O-N 2.98Å; Q1503-C1505 PolarHBondContact O-N 3.2Å; Q1503-Y1506 WeakPolarHBondContact O-CB 3.47Å; Q1503-Y1506 PolarHBondContact O-N 3.05Å; Q1503-Y1506 VanDerWaalsContact O-N 3.08Å; Q1503-E1507 HydrophobicContact CG-CG 4.33Å; Q1503-E1507 WeakPolarHBondContact CG-OE1 3.22Å; Q1503-E1507 PolarHBondContact NE2-OE1 3.28Å; Q1503-E1507 WeakPolarHBondContact O-CG 3.47Å; Q1503-E1507 PolarHBondContact O-N 3.38Å |
| 1504 | L | 86.7 | Confident | 81.8 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 7% | 0.073 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 174.1 | -68.8 | 176.3 | 0 | 0 | 0 | 112.8 | I1480 A1488 V1489 L1492 E1500 A1501 Y1506 E1507 H1508 I1510 | I1480-L1504 HydrophobicContact CD1-CD1 3.77Å; I1480-L1504 HydrophobicContact CD1-CD2 4.04Å; I1480-L1504 HydrophobicContact CG1-CD1 3.9Å; I1480-L1504 HydrophobicContact CG1-CD2 4.08Å; A1488-L1504 HydrophobicContact CB-CD1 3.97Å; V1489-L1504 HydrophobicContact CG2-CB 3.66Å; V1489-L1504 HydrophobicContact CG2-CD1 4.26Å; L1492-L1504 HydrophobicContact CD1-CD1 3.53Å; E1500-L1504 PolarHBondContact O-N 2.79Å; A1501-L1504 PolarHBondContact O-N 2.69Å; L1504-Y1506 PolarHBondContact O-N 2.84Å; L1504-E1507 PolarHBondContact O-N 3.39Å; L1504-H1508 WeakPolarHBondContact O-CB 3.39Å; L1504-H1508 PolarHBondContact O-N 3.44Å; L1504-I1510 HydrophobicContact CB-CD1 4.44Å |
| 1505 | C | 84.9 | Confident | 82.1 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.007 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.1 | -34.9 | 170.7 | -75.6 | 0 | 0 | 0 | 0 | 112.6 | A1501 I1502 Q1503 Y1509 L1542 | A1501-C1505 PolarHBondContact O-N 3.35Å; I1502-C1505 WeakPolarHBondContact O-CB 3.49Å; I1502-C1505 PolarHBondContact O-N 2.82Å; Q1503-C1505 PolarHBondContact O-N 3.2Å; C1505-Y1509 PolarHBondContact O-N 2.83Å; C1505-L1542 HydrophobicContact CB-CD1 3.78Å; C1505-L1542 HydrophobicContact CB-CD2 4.13Å |
| 1506 | Y | 84 | Confident | 82.5 | Confident | 144 Ų | 144 | 63.9 Ų | 63.9 | 57% | 0.565 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -74.7 | -45.3 | 177.7 | -163.9 | -81.7 | 0 | 0 | 0 | 112.1 | I1502 Q1503 L1504 L1542 I1545 | I1502-Y1506 PolarHBondContact O-N 2.82Å; I1502-Y1506 VanDerWaalsContact O-N 3.09Å; Q1503-Y1506 WeakPolarHBondContact O-CB 3.47Å; Q1503-Y1506 PolarHBondContact O-N 3.05Å; Q1503-Y1506 VanDerWaalsContact O-N 3.08Å; L1504-Y1506 PolarHBondContact O-N 2.84Å; Y1506-L1542 HydrophobicContact CD2-CD2 3.84Å; Y1506-L1542 HydrophobicContact CG-CD2 4.3Å; Y1506-I1545 HydrophobicContact CD2-CD1 4.21Å; Y1506-I1545 HydrophobicContact CE2-CD1 3.6Å |
| 1507 | E | 84.9 | Confident | 82.8 | Confident | 104 Ų | 104 | 59.3 Ų | 59.3 | 49% | 0.486 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -74.4 | -32.4 | -175.1 | -71.2 | 176.6 | -177.6 | 0 | 0 | 113.1 | Q1503 L1504 | Q1503-E1507 HydrophobicContact CG-CG 4.33Å; Q1503-E1507 WeakPolarHBondContact CG-OE1 3.22Å; Q1503-E1507 PolarHBondContact NE2-OE1 3.28Å; Q1503-E1507 WeakPolarHBondContact O-CG 3.47Å; Q1503-E1507 PolarHBondContact O-N 3.38Å; L1504-E1507 PolarHBondContact O-N 3.39Å |
| 1508 | H | 82.6 | Confident | 82.8 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 33% | 0.333 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -115 | 6.5 | -173.6 | -64.5 | -70.2 | 0 | 0 | 0 | 115.3 | F1485 L1504 I1510 | F1485-H1508 HydrophobicContact CB-CB 3.93Å; F1485-H1508 HydrophobicContact CD1-CB 4.35Å; F1485-H1508 AromaticContact CD1-CD2 3.46Å; F1485-H1508 VanDerWaalsContact CD1-CD2 3.46Å; F1485-H1508 WeakPolarHBondContact CD1-CD2 3.43Å; F1485-H1508 AromaticContact CD1-CE1 3.82Å; F1485-H1508 AromaticContact CD1-CG 3.64Å; F1485-H1508 AromaticContact CD1-ND1 3.87Å; F1485-H1508 AromaticContact CD1-NE2 3.57Å; F1485-H1508 HydrophobicContact CD2-CB 3.79Å; F1485-H1508 AromaticContact CD2-CG 3.71Å; F1485-H1508 AromaticContact CD2-ND1 3.77Å; F1485-H1508 AromaticContact CE1-CD2 3.79Å; F1485-H1508 AromaticContact CE1-CE1 3.31Å; F1485-H1508 WeakPolarHBondContact CE1-CE1 3.13Å; F1485-H1508 AromaticContact CE1-CG 3.9Å; F1485-H1508 AromaticContact CE1-ND1 3.62Å; F1485-H1508 AromaticContact CE1-NE2 3.41Å; F1485-H1508 WeakPolarHBondContact CE1-NE2 3.38Å; F1485-H1508 HydrophobicContact CE2-CB 4.39Å; F1485-H1508 AromaticContact CE2-CE1 4Å; F1485-H1508 AromaticContact CE2-CG 3.95Å; F1485-H1508 AromaticContact CE2-ND1 3.51Å; F1485-H1508 HydrophobicContact CG-CB 3.76Å; F1485-H1508 AromaticContact CG-CD2 3.78Å; F1485-H1508 AromaticContact CG-CG 3.53Å; F1485-H1508 AromaticContact CG-ND1 3.94Å; F1485-H1508 AromaticContact CZ-CE1 3.4Å; F1485-H1508 VanDerWaalsContact CZ-CE1 3.4Å; F1485-H1508 WeakPolarHBondContact CZ-CE1 3.17Å; F1485-H1508 AromaticContact CZ-ND1 3.42Å; F1485-H1508 WeakPolarHBondContact CZ-ND1 3.2Å; F1485-H1508 AromaticContact CZ-NE2 3.99Å; L1504-H1508 WeakPolarHBondContact O-CB 3.39Å; L1504-H1508 PolarHBondContact O-N 3.44Å; H1508-I1510 VanDerWaalsContact C-N 3.26Å; H1508-I1510 HydrophobicContact CB-CG1 4.29Å; H1508-I1510 PolarHBondContact O-N 3.47Å |
| 1509 | Y | 82.3 | Confident | 82.5 | Confident | 163 Ų | 163 | 66.8 Ų | 66.8 | 64% | 0.639 | 33% | 0.326 | S | S | * | . | trans | 54.2 | 36.4 | 176.1 | -72.7 | -95.1 | 0 | 0 | 0 | 114.7 | C1505 I1545 | C1505-Y1509 PolarHBondContact O-N 2.83Å; Y1509-I1545 HydrophobicContact CE1-CG2 4.15Å | ||
| 1510 | I | 80.7 | Confident | 82.3 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | trans | -60.3 | 122.9 | 180 | -64.4 | 165.5 | 0 | 0 | 0 | 110.3 | F1485 D1486 V1489 L1504 H1508 I1512 L1516 Q1546 | F1485-I1510 HydrophobicContact CB-CD1 3.67Å; F1485-I1510 HydrophobicContact CB-CG1 4Å; F1485-I1510 WeakPolarHBondContact O-CD1 3.27Å; D1486-I1510 HydrophobicContact CB-CG2 4.48Å; D1486-I1510 WeakPolarHBondContact OD1-CG2 3.46Å; V1489-I1510 HydrophobicContact CB-CD1 4.18Å; V1489-I1510 HydrophobicContact CG2-CD1 3.35Å; L1504-I1510 HydrophobicContact CB-CD1 4.44Å; H1508-I1510 VanDerWaalsContact C-N 3.26Å; H1508-I1510 HydrophobicContact CB-CG1 4.29Å; H1508-I1510 PolarHBondContact O-N 3.47Å; I1510-I1512 PolarHBondContact O-N 3.22Å; I1510-L1516 HydrophobicContact CG2-CD2 4.13Å; I1510-Q1546 PolarHBondContact O-NE2 3.49Å; I1510-Q1546 PolarHBondContact O-OE1 2.6Å | ||
| 1511 | P | 80.2 | Confident | 82.2 | Confident | 92 Ų | 92 | 59.9 Ų | 59.9 | 60% | 0.597 | 29% | 0.287 | S | S | * | . | trans | -67.5 | 115 | -173.9 | 26.4 | -34.3 | 0 | 0 | 0 | 112.4 | T1513 | P1511-T1513 PolarHBondContact O-N 2.84Å; P1511-T1513 VanDerWaalsContact O-N 3.15Å | ||
| 1512 | I | 80.5 | Confident | 81.6 | Confident | 6 Ų | 6 | 59.9 Ų | 59.9 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | trans | -78.2 | 102.6 | -175.6 | -65.5 | 163.5 | 0 | 0 | 0 | 110.8 | I1510 I1517 L1542 | I1510-I1512 PolarHBondContact O-N 3.22Å; I1512-I1517 HydrophobicContact CG2-CB 4.12Å; I1512-I1517 HydrophobicContact CG2-CD1 3.88Å; I1512-I1517 HydrophobicContact CG2-CG1 3.76Å; I1512-L1542 HydrophobicContact CD1-CB 3.68Å; I1512-L1542 HydrophobicContact CD1-CD1 4.34Å | ||
| 1513 | T | 81.1 | Confident | 80.8 | Confident | 80 Ų | 80 | 66.3 Ų | 66.3 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | trans | -79.4 | 160.2 | 168 | 63.1 | 0 | 0 | 0 | 0 | 111.4 | P1511 N1515 L1516 I1517 | P1511-T1513 PolarHBondContact O-N 2.84Å; P1511-T1513 VanDerWaalsContact O-N 3.15Å; T1513-N1515 VanDerWaalsContact C-N 3.33Å; T1513-N1515 PolarHBondContact O-N 3.23Å; T1513-L1516 PolarHBondContact O-N 3.11Å; T1513-L1516 WeakPolarHBondContact OG1-CB 3.4Å; T1513-L1516 PolarHBondContact OG1-N 3.45Å; T1513-I1517 PolarHBondContact O-N 3.05Å | ||
| 1514 | E | 80.3 | Confident | 79.5 | Confident | 79 Ų | 79 | 63.2 Ų | 63.2 | 37% | 0.369 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 175.7 | -171.4 | 144.6 | -123.5 | 0 | 0 | 111.5 | L1516 I1517 E1518 L1551 K1554 | E1514-L1516 VanDerWaalsContact C-N 3.35Å; E1514-L1516 PolarHBondContact O-N 3.33Å; E1514-I1517 VanDerWaalsContact O-CG2 3.25Å; E1514-I1517 WeakPolarHBondContact O-CG2 3.23Å; E1514-I1517 PolarHBondContact O-N 3.19Å; E1514-I1517 VanDerWaalsContact O-N 3.15Å; E1514-E1518 PolarHBondContact O-N 2.96Å; E1514-L1551 HydrophobicContact CB-CD2 4.23Å; E1514-L1551 HydrophobicContact CG-CD2 4.1Å; E1514-L1551 VanDerWaalsContact OE1-CD2 3.24Å; E1514-L1551 WeakPolarHBondContact OE1-CD2 3.45Å; E1514-K1554 IonicContact OE1-NZ 2.74Å; E1514-K1554 PolarHBondContact OE1-NZ 3.24Å |
| 1515 | N | 80.9 | Confident | 78 | Confident | 121 Ų | 121 | 70 Ų | 70 | 65% | 0.647 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59 | -42.2 | 174.6 | -64.6 | 6.5 | 0 | 0 | 0 | 112.7 | T1513 I1517 E1518 K1519 | T1513-N1515 VanDerWaalsContact C-N 3.33Å; T1513-N1515 PolarHBondContact O-N 3.23Å; N1515-I1517 VanDerWaalsContact C-N 3.35Å; N1515-E1518 PolarHBondContact O-N 3.09Å; N1515-K1519 WeakPolarHBondContact O-CG 3.31Å; N1515-K1519 PolarHBondContact O-N 2.97Å; N1515-K1519 VanDerWaalsContact O-N 3.14Å |
| 1516 | L | 81.2 | Confident | 76.7 | Confident | 13 Ų | 13 | 77 Ų | 77 | 7% | 0.068 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 177.9 | -171.5 | 65.2 | 0 | 0 | 0 | 111.2 | V1489 E1490 I1510 T1513 E1514 E1518 K1519 L1520 | V1489-L1516 HydrophobicContact CG1-CD1 4.11Å; V1489-L1516 HydrophobicContact CG1-CD2 4.4Å; E1490-L1516 HydrophobicContact CG-CD1 4.2Å; I1510-L1516 HydrophobicContact CG2-CD2 4.13Å; T1513-L1516 PolarHBondContact O-N 3.11Å; T1513-L1516 WeakPolarHBondContact OG1-CB 3.4Å; T1513-L1516 PolarHBondContact OG1-N 3.45Å; E1514-L1516 VanDerWaalsContact C-N 3.35Å; E1514-L1516 PolarHBondContact O-N 3.33Å; L1516-E1518 VanDerWaalsContact C-N 3.29Å; L1516-E1518 PolarHBondContact O-N 3.08Å; L1516-K1519 PolarHBondContact O-N 3.35Å; L1516-L1520 HydrophobicContact CG-CD1 4.02Å; L1516-L1520 WeakPolarHBondContact O-CB 3.34Å; L1516-L1520 WeakPolarHBondContact O-CG 3.4Å; L1516-L1520 PolarHBondContact O-N 3.04Å |
| 1517 | I | 83.3 | Confident | 75.8 | Confident | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.5 | -36.9 | 176.3 | -129.4 | 174 | 0 | 0 | 0 | 112 | I1512 T1513 E1514 N1515 L1520 T1521 C1543 L1551 K1555 | I1512-I1517 HydrophobicContact CG2-CB 4.12Å; I1512-I1517 HydrophobicContact CG2-CD1 3.88Å; I1512-I1517 HydrophobicContact CG2-CG1 3.76Å; T1513-I1517 PolarHBondContact O-N 3.05Å; E1514-I1517 VanDerWaalsContact O-CG2 3.25Å; E1514-I1517 WeakPolarHBondContact O-CG2 3.23Å; E1514-I1517 PolarHBondContact O-N 3.19Å; E1514-I1517 VanDerWaalsContact O-N 3.15Å; N1515-I1517 VanDerWaalsContact C-N 3.35Å; I1517-L1520 PolarHBondContact O-N 3.37Å; I1517-T1521 PolarHBondContact O-N 2.82Å; I1517-T1521 PolarHBondContact O-OG1 3.32Å; I1517-C1543 WeakPolarHBondContact CD1-SG 3.43Å; I1517-L1551 HydrophobicContact CD1-CB 3.72Å; I1517-L1551 HydrophobicContact CD1-CD1 4.34Å; I1517-L1551 HydrophobicContact CD1-CG 4.42Å; I1517-K1555 HydrophobicContact CD1-CD 4.11Å; I1517-K1555 HydrophobicContact CD1-CG 3.72Å; I1517-K1555 HydrophobicContact CG1-CD 4.14Å; I1517-K1555 HydrophobicContact CG1-CG 4.23Å |
| 1518 | E | 80.1 | Confident | 75.1 | Confident | 114 Ų | 114 | 70.2 Ų | 70.2 | 53% | 0.533 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -74.1 | -41.8 | -179.6 | -68.6 | -171.6 | 162.9 | 0 | 0 | 110.9 | E1514 N1515 L1516 L1520 T1521 | E1514-E1518 PolarHBondContact O-N 2.96Å; N1515-E1518 PolarHBondContact O-N 3.09Å; L1516-E1518 VanDerWaalsContact C-N 3.29Å; L1516-E1518 PolarHBondContact O-N 3.08Å; E1518-L1520 VanDerWaalsContact C-N 3.29Å; E1518-L1520 PolarHBondContact O-N 3.01Å; E1518-T1521 WeakPolarHBondContact O-CB 3.29Å; E1518-T1521 PolarHBondContact O-N 2.61Å |
| 1519 | K | 77.9 | Confident | 74.6 | Confident | 105 Ų | 105 | 73.5 Ų | 73.5 | 46% | 0.457 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -56.1 | -40.9 | 169.3 | -69.3 | -178.3 | -177.4 | -171.2 | 0 | 112.9 | E1490 A1493 N1515 L1516 T1521 | E1490-K1519 IonicContact OE1-NZ 3.44Å; E1490-K1519 PolarHBondContact OE1-NZ 3.01Å; A1493-K1519 HydrophobicContact CB-CB 4.34Å; N1515-K1519 WeakPolarHBondContact O-CG 3.31Å; N1515-K1519 PolarHBondContact O-N 2.97Å; N1515-K1519 VanDerWaalsContact O-N 3.14Å; L1516-K1519 PolarHBondContact O-N 3.35Å; K1519-T1521 VanDerWaalsContact C-N 3.26Å; K1519-T1521 PolarHBondContact O-N 3.08Å |
| 1520 | L | 80 | Confident | 74.4 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -7.7 | 178.7 | -72.2 | 168.4 | 0 | 0 | 0 | 113.9 | V1489 A1493 A1501 L1516 I1517 E1518 P1522 L1539 | V1489-L1520 HydrophobicContact CG1-CD1 4.3Å; V1489-L1520 HydrophobicContact CG1-CD2 4.28Å; A1493-L1520 HydrophobicContact CB-CD2 3.73Å; A1493-L1520 HydrophobicContact CB-CG 4.27Å; A1501-L1520 HydrophobicContact CB-CD2 3.58Å; L1516-L1520 HydrophobicContact CG-CD1 4.02Å; L1516-L1520 WeakPolarHBondContact O-CB 3.34Å; L1516-L1520 WeakPolarHBondContact O-CG 3.4Å; L1516-L1520 PolarHBondContact O-N 3.04Å; I1517-L1520 PolarHBondContact O-N 3.37Å; E1518-L1520 VanDerWaalsContact C-N 3.29Å; E1518-L1520 PolarHBondContact O-N 3.01Å; L1520-P1522 WeakPolarHBondContact O-CD 3.32Å; L1520-L1539 HydrophobicContact CB-CD1 4.27Å; L1520-L1539 HydrophobicContact CB-CD2 3.87Å; L1520-L1539 HydrophobicContact CD1-CD2 3.96Å; L1520-L1539 HydrophobicContact CG-CD2 4.48Å; L1520-L1539 WeakPolarHBondContact O-CD1 3.25Å |
| 1521 | T | 80.8 | Confident | 74.2 | Confident | 21 Ų | 21 | 76.3 Ų | 76.3 | 13% | 0.129 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -89.5 | 115.7 | -178.8 | -62.6 | 0 | 0 | 0 | 0 | 110.2 | I1517 E1518 K1519 I1523 L1536 K1555 | I1517-T1521 PolarHBondContact O-N 2.82Å; I1517-T1521 PolarHBondContact O-OG1 3.32Å; E1518-T1521 WeakPolarHBondContact O-CB 3.29Å; E1518-T1521 PolarHBondContact O-N 2.61Å; K1519-T1521 VanDerWaalsContact C-N 3.26Å; K1519-T1521 PolarHBondContact O-N 3.08Å; T1521-I1523 WeakPolarHBondContact O-CG1 3.34Å; T1521-I1523 PolarHBondContact O-N 3.5Å; T1521-L1536 HydrophobicContact CG2-CD2 4.19Å; T1521-K1555 PolarHBondContact OG1-NZ 3.34Å |
| 1522 | P | 71.9 | Confident | 74.2 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 39% | 0.392 | C | S | . | . | trans | -66.5 | 105.5 | -176 | 24.8 | -34.1 | 0 | 0 | 0 | 111.6 | Y1498 L1520 L1527 K1532 L1535 | Y1498-P1522 HydrophobicContact CD2-CB 4.35Å; Y1498-P1522 HydrophobicContact CE2-CB 3.85Å; L1520-P1522 WeakPolarHBondContact O-CD 3.32Å; P1522-L1527 HydrophobicContact CB-CD2 4.34Å; P1522-K1532 HydrophobicContact CG-CD 4.28Å; P1522-K1532 HydrophobicContact CG-CG 4.12Å; P1522-K1532 VanDerWaalsContact O-CE 3.3Å; P1522-K1532 WeakPolarHBondContact O-CE 3.29Å; P1522-K1532 PolarHBondContact O-NZ 3.4Å; P1522-L1535 HydrophobicContact CG-CD1 4.4Å | ||
| 1523 | I | 67.2 | Low | 74.3 | Confident | 146 Ų | 146 | 76.1 Ų | 76.1 | 75% | 0.749 | 40% | 0.402 | S | S | * | . | trans | -74.7 | -35.9 | -178.7 | -52.9 | -179 | 0 | 0 | 0 | 111.2 | T1521 | T1521-I1523 WeakPolarHBondContact O-CG1 3.34Å; T1521-I1523 PolarHBondContact O-N 3.5Å | ||
| 1524 | S | 57.3 | Low | 74.4 | Confident | 46 Ų | 46 | 77 Ų | 77 | 32% | 0.322 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -75.5 | 155.3 | -170.7 | 60.1 | 0 | 0 | 0 | 0 | 114.6 | N1526 | S1524-N1526 PolarHBondContact O-N 3.1Š|
| 1525 | N | 55.1 | Low | 74.6 | Confident | 155 Ų | 155 | 73.6 Ų | 73.6 | 83% | 0.829 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 7.5 | -179.2 | -70.2 | -24.1 | 0 | 0 | 0 | 114.2 | ||
| 1526 | N | 58.2 | Low | 74.8 | Confident | 148 Ų | 148 | 68.1 Ų | 68.1 | 79% | 0.791 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -14.5 | -168.6 | -66.6 | 15.3 | 0 | 0 | 0 | 114 | S1524 | S1524-N1526 PolarHBondContact O-N 3.1Š|
| 1527 | L | 64.7 | Low | 75.1 | Confident | 52 Ų | 52 | 69 Ų | 69 | 27% | 0.272 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -93 | 146.4 | 172.7 | -77.8 | 74.7 | 0 | 0 | 0 | 109.8 | P1522 L1535 | P1522-L1527 HydrophobicContact CB-CD2 4.34Å; L1527-L1535 HydrophobicContact CD2-CD1 3.47Å; L1527-L1535 VanDerWaalsContact CD2-CD1 3.47Å |
| 1528 | S | 71.8 | Confident | 75.3 | Confident | 54 Ų | 54 | 72.5 Ų | 72.5 | 38% | 0.378 | 38% | 0.379 | S | S | . | . | trans | -66.8 | 153.7 | 172.5 | 73.5 | 0 | 0 | 0 | 0 | 111.4 | N1530 E1531 K1532 | S1528-N1530 PolarHBondContact O-N 3.21Å; S1528-N1530 VanDerWaalsContact O-N 3.1Å; S1528-E1531 WeakPolarHBondContact CB-OE2 3.41Å; S1528-E1531 PolarHBondContact N-OE2 2.91Å; S1528-E1531 PolarHBondContact O-N 3.47Å; S1528-E1531 VanDerWaalsContact O-N 3.16Å; S1528-E1531 VanDerWaalsContact OG-CD 3.23Å; S1528-E1531 WeakPolarHBondContact OG-CG 3.22Å; S1528-E1531 PolarHBondContact OG-N 2.96Å; S1528-E1531 PolarHBondContact OG-OE2 3.18Å; S1528-K1532 WeakPolarHBondContact O-CB 3.3Å; S1528-K1532 PolarHBondContact O-N 2.96Å | ||
| 1529 | N | 72.1 | Confident | 75.6 | Confident | 141 Ų | 141 | 67 Ų | 67 | 75% | 0.754 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -56.6 | -28.3 | 176.5 | -72.1 | -24.3 | 0 | 0 | 0 | 112.9 | S1533 | N1529-S1533 WeakPolarHBondContact O-CB 3.44Å; N1529-S1533 PolarHBondContact O-N 3.41Å |
| 1530 | N | 77.2 | Confident | 76 | Confident | 125 Ų | 125 | 62 Ų | 62 | 67% | 0.668 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -72.2 | -49.3 | 177.2 | -68.9 | -5.9 | 0 | 0 | 0 | 111.3 | S1528 K1532 S1533 I1534 | S1528-N1530 PolarHBondContact O-N 3.21Å; S1528-N1530 VanDerWaalsContact O-N 3.1Å; N1530-K1532 VanDerWaalsContact C-N 3.32Å; N1530-K1532 PolarHBondContact O-N 2.96Å; N1530-S1533 PolarHBondContact O-N 3.49Å; N1530-I1534 VanDerWaalsContact O-CG1 3.3Å; N1530-I1534 WeakPolarHBondContact O-CG1 3.42Å; N1530-I1534 PolarHBondContact O-N 3.38Å |
| 1531 | E | 76.9 | Confident | 76.4 | Confident | 103 Ų | 103 | 66.8 Ų | 66.8 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 176.6 | -67.8 | 155.2 | 140.5 | 0 | 0 | 111 | S1528 S1533 I1534 L1535 | S1528-E1531 WeakPolarHBondContact CB-OE2 3.41Å; S1528-E1531 PolarHBondContact N-OE2 2.91Å; S1528-E1531 PolarHBondContact O-N 3.47Å; S1528-E1531 VanDerWaalsContact O-N 3.16Å; S1528-E1531 VanDerWaalsContact OG-CD 3.23Å; S1528-E1531 WeakPolarHBondContact OG-CG 3.22Å; S1528-E1531 PolarHBondContact OG-N 2.96Å; S1528-E1531 PolarHBondContact OG-OE2 3.18Å; E1531-S1533 PolarHBondContact O-N 2.84Å; E1531-I1534 PolarHBondContact O-N 3.23Å; E1531-L1535 WeakPolarHBondContact O-CG 3.21Å; E1531-L1535 PolarHBondContact O-N 3.47Å |
| 1532 | K | 80.3 | Confident | 76.7 | Confident | 56 Ų | 56 | 66 Ų | 66 | 24% | 0.243 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.1 | -41 | 174.7 | -176.4 | 154.7 | 176.1 | 163.9 | 0 | 112.4 | P1522 S1528 N1530 L1536 | P1522-K1532 HydrophobicContact CG-CD 4.28Å; P1522-K1532 HydrophobicContact CG-CG 4.12Å; P1522-K1532 VanDerWaalsContact O-CE 3.3Å; P1522-K1532 WeakPolarHBondContact O-CE 3.29Å; P1522-K1532 PolarHBondContact O-NZ 3.4Å; S1528-K1532 WeakPolarHBondContact O-CB 3.3Å; S1528-K1532 PolarHBondContact O-N 2.96Å; N1530-K1532 VanDerWaalsContact C-N 3.32Å; N1530-K1532 PolarHBondContact O-N 2.96Å; K1532-L1536 HydrophobicContact CG-CD1 3.89Å; K1532-L1536 VanDerWaalsContact O-CB 3.32Å; K1532-L1536 WeakPolarHBondContact O-CB 3.2Å; K1532-L1536 WeakPolarHBondContact O-CD1 3.36Å; K1532-L1536 WeakPolarHBondContact O-CG 3.45Å; K1532-L1536 PolarHBondContact O-N 2.79Å |
| 1533 | S | 81.2 | Confident | 77.4 | Confident | 37 Ų | 37 | 66 Ų | 66 | 26% | 0.259 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 174.3 | -173.2 | 0 | 0 | 0 | 0 | 112 | N1529 N1530 E1531 L1536 N1537 S1559 | N1529-S1533 WeakPolarHBondContact O-CB 3.44Å; N1529-S1533 PolarHBondContact O-N 3.41Å; N1530-S1533 PolarHBondContact O-N 3.49Å; E1531-S1533 PolarHBondContact O-N 2.84Å; S1533-L1536 PolarHBondContact O-N 3.31Å; S1533-N1537 WeakPolarHBondContact O-CB 3.34Å; S1533-N1537 VanDerWaalsContact O-CG 3.31Å; S1533-N1537 PolarHBondContact O-N 3.1Å; S1533-N1537 PolarHBondContact O-ND2 2.99Å; S1533-N1537 PolarHBondContact OG-ND2 2.95Å; S1533-S1559 PolarHBondContact OG-O 3.07Å |
| 1534 | I | 84.8 | Confident | 78.3 | Confident | 98 Ų | 98 | 61 Ų | 61 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.7 | -51.9 | 176.2 | -68.5 | 162.3 | 0 | 0 | 0 | 110.7 | N1530 E1531 L1536 N1537 Q1538 | N1530-I1534 VanDerWaalsContact O-CG1 3.3Å; N1530-I1534 WeakPolarHBondContact O-CG1 3.42Å; N1530-I1534 PolarHBondContact O-N 3.38Å; E1531-I1534 PolarHBondContact O-N 3.23Å; I1534-L1536 VanDerWaalsContact C-N 3.35Å; I1534-L1536 PolarHBondContact O-N 2.89Å; I1534-N1537 PolarHBondContact O-N 2.91Å; I1534-Q1538 WeakPolarHBondContact O-CG 3.33Å; I1534-Q1538 PolarHBondContact O-N 2.91Å |
| 1535 | L | 83.5 | Confident | 79.7 | Confident | 9 Ų | 9 | 62.4 Ų | 62.4 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.5 | -43.5 | 177.3 | -74 | 167.5 | 0 | 0 | 0 | 112.3 | Y1498 I1502 P1522 L1527 E1531 N1537 Q1538 L1539 | Y1498-L1535 HydrophobicContact CD2-CD1 4.47Å; I1502-L1535 HydrophobicContact CD1-CD2 3.65Å; P1522-L1535 HydrophobicContact CG-CD1 4.4Å; L1527-L1535 HydrophobicContact CD2-CD1 3.47Å; L1527-L1535 VanDerWaalsContact CD2-CD1 3.47Å; E1531-L1535 WeakPolarHBondContact O-CG 3.21Å; E1531-L1535 PolarHBondContact O-N 3.47Å; L1535-N1537 VanDerWaalsContact C-N 3.35Å; L1535-N1537 PolarHBondContact O-N 3.21Å; L1535-Q1538 PolarHBondContact O-N 3.19Å; L1535-L1539 WeakPolarHBondContact O-CG 3.21Å; L1535-L1539 PolarHBondContact O-N 2.87Å |
| 1536 | L | 86.4 | Confident | 81.2 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.2 | -31.4 | 178.3 | -73.7 | 166.6 | 0 | 0 | 0 | 113.1 | T1521 K1532 S1533 I1534 G1540 K1555 Q1558 | T1521-L1536 HydrophobicContact CG2-CD2 4.19Å; K1532-L1536 HydrophobicContact CG-CD1 3.89Å; K1532-L1536 VanDerWaalsContact O-CB 3.32Å; K1532-L1536 WeakPolarHBondContact O-CB 3.2Å; K1532-L1536 WeakPolarHBondContact O-CD1 3.36Å; K1532-L1536 WeakPolarHBondContact O-CG 3.45Å; K1532-L1536 PolarHBondContact O-N 2.79Å; S1533-L1536 PolarHBondContact O-N 3.31Å; I1534-L1536 VanDerWaalsContact C-N 3.35Å; I1534-L1536 PolarHBondContact O-N 2.89Å; L1536-G1540 PolarHBondContact O-N 3.08Å; L1536-K1555 HydrophobicContact CD2-CD 4.05Å; L1536-Q1558 HydrophobicContact CD1-CB 4.09Å; L1536-Q1558 HydrophobicContact CD2-CB 4.2Å |
| 1537 | N | 87.1 | Confident | 82.5 | Confident | 31 Ų | 31 | 56.1 Ų | 56.1 | 17% | 0.166 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.4 | -44.2 | 171.5 | -72.7 | -50.8 | 0 | 0 | 0 | 111.1 | S1533 I1534 L1535 L1539 G1540 E1541 F1556 S1559 N1561 | S1533-N1537 WeakPolarHBondContact O-CB 3.34Å; S1533-N1537 VanDerWaalsContact O-CG 3.31Å; S1533-N1537 PolarHBondContact O-N 3.1Å; S1533-N1537 PolarHBondContact O-ND2 2.99Å; S1533-N1537 PolarHBondContact OG-ND2 2.95Å; I1534-N1537 PolarHBondContact O-N 2.91Å; L1535-N1537 VanDerWaalsContact C-N 3.35Å; L1535-N1537 PolarHBondContact O-N 3.21Å; N1537-L1539 PolarHBondContact O-N 3.4Å; N1537-G1540 PolarHBondContact O-N 3.42Å; N1537-G1540 VanDerWaalsContact O-N 3.13Å; N1537-E1541 WeakPolarHBondContact O-CG 3.21Å; N1537-E1541 PolarHBondContact O-N 3.37Å; N1537-F1556 WeakPolarHBondContact O-CE1 3.44Å; N1537-S1559 WeakPolarHBondContact OD1-CB 3Å; N1537-S1559 PolarHBondContact OD1-OG 3.44Å; N1537-N1561 WeakPolarHBondContact OD1-CB 3.32Å; N1537-N1561 PolarHBondContact OD1-ND2 2.72Å |
| 1538 | Q | 86.1 | Confident | 83.5 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 35% | 0.35 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 175.7 | -70.6 | 175.3 | -36.1 | 0 | 0 | 112.3 | I1502 I1534 L1535 E1541 L1542 | I1502-Q1538 HydrophobicContact CG2-CB 4Å; I1534-Q1538 WeakPolarHBondContact O-CG 3.33Å; I1534-Q1538 PolarHBondContact O-N 2.91Å; L1535-Q1538 PolarHBondContact O-N 3.19Å; Q1538-E1541 PolarHBondContact O-N 3.49Å; Q1538-L1542 PolarHBondContact O-N 3.29Å |
| 1539 | L | 86.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 172.7 | -73.5 | 166.8 | 0 | 0 | 0 | 112.2 | I1502 L1520 L1535 N1537 E1541 C1543 K1555 | I1502-L1539 HydrophobicContact CD1-CD1 4.34Å; I1502-L1539 HydrophobicContact CD1-CD2 3.99Å; I1502-L1539 HydrophobicContact CD1-CG 3.79Å; I1502-L1539 HydrophobicContact CG1-CD2 3.74Å; I1502-L1539 HydrophobicContact CG1-CG 4.11Å; L1520-L1539 HydrophobicContact CB-CD1 4.27Å; L1520-L1539 HydrophobicContact CB-CD2 3.87Å; L1520-L1539 HydrophobicContact CD1-CD2 3.96Å; L1520-L1539 HydrophobicContact CG-CD2 4.48Å; L1520-L1539 WeakPolarHBondContact O-CD1 3.25Å; L1535-L1539 WeakPolarHBondContact O-CG 3.21Å; L1535-L1539 PolarHBondContact O-N 2.87Å; N1537-L1539 PolarHBondContact O-N 3.4Å; L1539-E1541 VanDerWaalsContact C-N 3.35Å; L1539-C1543 PolarHBondContact O-N 3.22Å; L1539-C1543 PolarHBondContact O-SG 2.85Å; L1539-K1555 HydrophobicContact CB-CD 4.41Å; L1539-K1555 HydrophobicContact CB-CG 4.22Å |
| 1540 | G | 87 | Confident | 85.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.2 | -39 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | L1536 N1537 C1543 L1544 A1552 F1556 | L1536-G1540 PolarHBondContact O-N 3.08Å; N1537-G1540 PolarHBondContact O-N 3.42Å; N1537-G1540 VanDerWaalsContact O-N 3.13Å; G1540-C1543 PolarHBondContact O-N 3.03Å; G1540-L1544 WeakPolarHBondContact O-CB 3.39Å; G1540-L1544 PolarHBondContact O-N 2.95Å; G1540-A1552 WeakPolarHBondContact O-CB 3.44Å; G1540-F1556 WeakPolarHBondContact O-CE2 3.44Å; G1540-F1556 WeakPolarHBondContact O-CZ 3.25Å |
| 1541 | E | 87.9 | Confident | 85.6 | Confident | 100 Ų | 100 | 49.7 Ų | 49.7 | 47% | 0.467 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.6 | -45.1 | 176.6 | -73.7 | 175.7 | 171.7 | 0 | 0 | 111.6 | N1537 Q1538 L1539 C1543 L1544 I1545 F1556 | N1537-E1541 WeakPolarHBondContact O-CG 3.21Å; N1537-E1541 PolarHBondContact O-N 3.37Å; Q1538-E1541 PolarHBondContact O-N 3.49Å; L1539-E1541 VanDerWaalsContact C-N 3.35Å; E1541-C1543 VanDerWaalsContact C-N 3.34Å; E1541-C1543 PolarHBondContact O-N 3.38Å; E1541-L1544 CarbonylContact O-C 3.57Å; E1541-L1544 PolarHBondContact O-N 3.32Å; E1541-L1544 VanDerWaalsContact O-N 3.09Å; E1541-I1545 WeakPolarHBondContact O-CG1 3.42Å; E1541-I1545 PolarHBondContact O-N 3.42Å; E1541-F1556 HydrophobicContact CG-CE1 4.13Å; E1541-F1556 HydrophobicContact CG-CZ 3.87Å; E1541-F1556 VanDerWaalsContact N-CZ 3.35Å |
| 1542 | L | 87.3 | Confident | 86.2 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.2 | -48.1 | 171.1 | -82.5 | 173.6 | 0 | 0 | 0 | 112.3 | I1502 C1505 Y1506 I1512 Q1538 L1544 I1545 Q1546 | I1502-L1542 HydrophobicContact CB-CD1 4.31Å; I1502-L1542 HydrophobicContact CG1-CD1 4.39Å; I1502-L1542 HydrophobicContact CG2-CD1 3.84Å; C1505-L1542 HydrophobicContact CB-CD1 3.78Å; C1505-L1542 HydrophobicContact CB-CD2 4.13Å; Y1506-L1542 HydrophobicContact CD2-CD2 3.84Å; Y1506-L1542 HydrophobicContact CG-CD2 4.3Å; I1512-L1542 HydrophobicContact CD1-CB 3.68Å; I1512-L1542 HydrophobicContact CD1-CD1 4.34Å; Q1538-L1542 PolarHBondContact O-N 3.29Å; L1542-L1544 VanDerWaalsContact C-N 3.26Å; L1542-L1544 PolarHBondContact O-N 3.32Å; L1542-I1545 WeakPolarHBondContact O-CB 3.22Å; L1542-I1545 PolarHBondContact O-N 3.27Å; L1542-Q1546 WeakPolarHBondContact O-CG 3.37Å; L1542-Q1546 PolarHBondContact O-N 3.02Å |
| 1543 | C | 86.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.3 | -30.4 | 178.3 | -64.6 | 0 | 0 | 0 | 0 | 112.7 | I1517 L1539 G1540 E1541 E1547 Q1548 A1552 | I1517-C1543 WeakPolarHBondContact CD1-SG 3.43Å; L1539-C1543 PolarHBondContact O-N 3.22Å; L1539-C1543 PolarHBondContact O-SG 2.85Å; G1540-C1543 PolarHBondContact O-N 3.03Å; E1541-C1543 VanDerWaalsContact C-N 3.34Å; E1541-C1543 PolarHBondContact O-N 3.38Å; C1543-E1547 PolarHBondContact O-N 3.36Å; C1543-Q1548 HydrophobicContact CB-CB 4.25Å; C1543-Q1548 WeakPolarHBondContact O-CA 3.44Å; C1543-Q1548 PolarHBondContact O-N 3.01Å; C1543-A1552 HydrophobicContact CB-CB 3.63Å |
| 1544 | L | 87.4 | Confident | 87 | Confident | 39 Ų | 39 | 45.8 Ų | 45.8 | 20% | 0.204 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -77.7 | -24.3 | 177.1 | -175.1 | 148.6 | 0 | 0 | 0 | 112.7 | G1540 E1541 L1542 A1552 F1556 A1568 K1571 | G1540-L1544 WeakPolarHBondContact O-CB 3.39Å; G1540-L1544 PolarHBondContact O-N 2.95Å; E1541-L1544 CarbonylContact O-C 3.57Å; E1541-L1544 PolarHBondContact O-N 3.32Å; E1541-L1544 VanDerWaalsContact O-N 3.09Å; L1542-L1544 VanDerWaalsContact C-N 3.26Å; L1542-L1544 PolarHBondContact O-N 3.32Å; L1544-A1552 HydrophobicContact CB-CB 4.17Å; L1544-F1556 HydrophobicContact CB-CE2 4.44Å; L1544-F1556 HydrophobicContact CD1-CE2 4.03Å; L1544-A1568 HydrophobicContact CD1-CB 4.07Å; L1544-K1571 HydrophobicContact CG-CD 4.45Å |
| 1545 | I | 86.4 | Confident | 87.2 | Confident | 76 Ų | 76 | 41.5 Ų | 41.5 | 39% | 0.39 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -74.1 | -41.4 | 169.5 | -69.3 | 163.3 | 0 | 0 | 0 | 110.4 | Y1506 Y1509 E1541 L1542 E1547 | Y1506-I1545 HydrophobicContact CD2-CD1 4.21Å; Y1506-I1545 HydrophobicContact CE2-CD1 3.6Å; Y1509-I1545 HydrophobicContact CE1-CG2 4.15Å; E1541-I1545 WeakPolarHBondContact O-CG1 3.42Å; E1541-I1545 PolarHBondContact O-N 3.42Å; L1542-I1545 WeakPolarHBondContact O-CB 3.22Å; L1542-I1545 PolarHBondContact O-N 3.27Å; I1545-E1547 PolarHBondContact O-N 2.89Å |
| 1546 | Q | 85 | Confident | 87.6 | Confident | 36 Ų | 36 | 41.1 Ų | 41.1 | 17% | 0.168 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 18.3 | 180 | -61 | -175.4 | 7.9 | 0 | 0 | 114.3 | I1510 L1542 Q1548 | I1510-Q1546 PolarHBondContact O-NE2 3.49Å; I1510-Q1546 PolarHBondContact O-OE1 2.6Å; L1542-Q1546 WeakPolarHBondContact O-CG 3.37Å; L1542-Q1546 PolarHBondContact O-N 3.02Å; Q1546-Q1548 PolarHBondContact O-N 2.94Å |
| 1547 | E | 86.2 | Confident | 87.7 | Confident | 135 Ų | 135 | 43.1 Ų | 43.1 | 63% | 0.631 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 11.9 | 179.2 | -47.8 | -158.1 | 143.5 | 0 | 0 | 116.1 | C1543 I1545 Y1549 | C1543-E1547 PolarHBondContact O-N 3.36Å; I1545-E1547 PolarHBondContact O-N 2.89Å; E1547-Y1549 HydrophobicContact CB-CE1 4.31Å; E1547-Y1549 HydrophobicContact CB-CE2 3.94Å; E1547-Y1549 WeakPolarHBondContact CG-OH 3.42Å; E1547-Y1549 WeakPolarHBondContact O-CD2 3.43Å; E1547-Y1549 WeakPolarHBondContact O-CE2 3.49Å; E1547-Y1549 PolarHBondContact O-N 3.23Å |
| 1548 | Q | 87 | Confident | 87.6 | Confident | 84 Ų | 84 | 46.7 Ų | 46.7 | 39% | 0.393 | 22% | 0.22 | S | C | . | . | trans | -78.9 | 59.8 | 176.8 | -68.5 | -59.4 | -24.9 | 0 | 0 | 111.6 | C1543 Q1546 Y1550 L1551 A1552 | C1543-Q1548 HydrophobicContact CB-CB 4.25Å; C1543-Q1548 WeakPolarHBondContact O-CA 3.44Å; C1543-Q1548 PolarHBondContact O-N 3.01Å; Q1546-Q1548 PolarHBondContact O-N 2.94Å; Q1548-Y1550 VanDerWaalsContact C-N 3.31Å; Q1548-Y1550 PolarHBondContact O-N 3.44Å; Q1548-L1551 HydrophobicContact CB-CB 4.17Å; Q1548-L1551 HydrophobicContact CB-CD1 4.17Å; Q1548-L1551 HydrophobicContact CB-CG 4.47Å; Q1548-L1551 HydrophobicContact CG-CD1 4.38Å; Q1548-L1551 PolarHBondContact O-N 3.33Å; Q1548-A1552 PolarHBondContact O-N 3Å | ||
| 1549 | Y | 89.8 | Confident | 87.6 | Confident | 39 Ų | 39 | 43.7 Ų | 43.7 | 15% | 0.153 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.4 | -35.4 | -168.2 | -59 | -50 | 0 | 0 | 0 | 114.9 | E1547 C1553 A1568 K1571 | E1547-Y1549 HydrophobicContact CB-CE1 4.31Å; E1547-Y1549 HydrophobicContact CB-CE2 3.94Å; E1547-Y1549 WeakPolarHBondContact CG-OH 3.42Å; E1547-Y1549 WeakPolarHBondContact O-CD2 3.43Å; E1547-Y1549 WeakPolarHBondContact O-CE2 3.49Å; E1547-Y1549 PolarHBondContact O-N 3.23Å; Y1549-C1553 WeakPolarHBondContact O-CB 3.4Å; Y1549-C1553 PolarHBondContact O-N 3.19Å; Y1549-A1568 WeakPolarHBondContact CB-O 3.42Å; Y1549-K1571 HydrophobicContact CD1-CB 3.58Å; Y1549-K1571 HydrophobicContact CD1-CD 3.99Å; Y1549-K1571 HydrophobicContact CD1-CG 4.47Å; Y1549-K1571 HydrophobicContact CD2-CB 4.33Å; Y1549-K1571 HydrophobicContact CE1-CB 3.49Å; Y1549-K1571 VanDerWaalsContact CE1-CB 3.49Å; Y1549-K1571 HydrophobicContact CE1-CD 3.32Å; Y1549-K1571 HydrophobicContact CE1-CG 4.09Å; Y1549-K1571 HydrophobicContact CE2-CB 4.22Å; Y1549-K1571 HydrophobicContact CG-CB 4.03Å |
| 1550 | Y | 88.2 | Confident | 87.5 | Confident | 99 Ų | 99 | 46 Ų | 46 | 39% | 0.388 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -72.4 | -38.7 | 176.7 | -55.3 | -55.5 | 0 | 0 | 0 | 112.3 | Q1548 C1553 K1554 L1569 D1574 K1577 | Q1548-Y1550 VanDerWaalsContact C-N 3.31Å; Q1548-Y1550 PolarHBondContact O-N 3.44Å; Y1550-C1553 WeakPolarHBondContact O-CB 3.46Å; Y1550-C1553 PolarHBondContact O-N 2.94Å; Y1550-K1554 PolarHBondContact O-N 3.16Å; Y1550-L1569 HydrophobicContact CD1-CD1 4.3Å; Y1550-L1569 HydrophobicContact CE1-CD1 4.47Å; Y1550-D1574 HydrophobicContact CE1-CB 4.25Å; Y1550-K1577 HydrophobicContact CD1-CD 3.95Å; Y1550-K1577 HydrophobicContact CE1-CD 3.59Å; Y1550-K1577 PolarHBondContact OH-NZ 3.03Å |
| 1551 | L | 86.8 | Confident | 87.5 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.7 | -41.7 | 175.9 | -64.9 | 180 | 0 | 0 | 0 | 111 | E1514 I1517 Q1548 C1553 K1554 K1555 | E1514-L1551 HydrophobicContact CB-CD2 4.23Å; E1514-L1551 HydrophobicContact CG-CD2 4.1Å; E1514-L1551 VanDerWaalsContact OE1-CD2 3.24Å; E1514-L1551 WeakPolarHBondContact OE1-CD2 3.45Å; I1517-L1551 HydrophobicContact CD1-CB 3.72Å; I1517-L1551 HydrophobicContact CD1-CD1 4.34Å; I1517-L1551 HydrophobicContact CD1-CG 4.42Å; Q1548-L1551 HydrophobicContact CB-CB 4.17Å; Q1548-L1551 HydrophobicContact CB-CD1 4.17Å; Q1548-L1551 HydrophobicContact CB-CG 4.47Å; Q1548-L1551 HydrophobicContact CG-CD1 4.38Å; Q1548-L1551 PolarHBondContact O-N 3.33Å; L1551-C1553 VanDerWaalsContact C-N 3.32Å; L1551-C1553 PolarHBondContact O-N 2.97Å; L1551-K1554 HydrophobicContact CD2-CD 4.38Å; L1551-K1554 WeakPolarHBondContact O-CB 3.24Å; L1551-K1554 PolarHBondContact O-N 3.04Å; L1551-K1554 VanDerWaalsContact O-N 3.11Å; L1551-K1555 PolarHBondContact O-N 3.15Å |
| 1552 | A | 89.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.4 | -46.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G1540 C1543 L1544 Q1548 K1554 K1555 F1556 A1568 | G1540-A1552 WeakPolarHBondContact O-CB 3.44Å; C1543-A1552 HydrophobicContact CB-CB 3.63Å; L1544-A1552 HydrophobicContact CB-CB 4.17Å; Q1548-A1552 PolarHBondContact O-N 3Å; A1552-K1554 PolarHBondContact O-N 3Å; A1552-K1555 PolarHBondContact O-N 3.26Å; A1552-F1556 HydrophobicContact CB-CD2 4.31Å; A1552-F1556 HydrophobicContact CB-CE2 4.18Å; A1552-F1556 WeakPolarHBondContact O-CB 3.41Å; A1552-F1556 WeakPolarHBondContact O-CD2 3.19Å; A1552-F1556 WeakPolarHBondContact O-CG 3.48Å; A1552-F1556 PolarHBondContact O-N 2.93Å; A1552-A1568 HydrophobicContact CB-CB 3.77Å |
| 1553 | C | 89.2 | Confident | 87.6 | Confident | 14 Ų | 14 | 48.8 Ų | 48.8 | 10% | 0.095 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62 | -38.7 | 174.8 | -172.1 | 0 | 0 | 0 | 0 | 112.9 | Y1549 Y1550 L1551 T1557 A1568 L1569 | Y1549-C1553 WeakPolarHBondContact O-CB 3.4Å; Y1549-C1553 PolarHBondContact O-N 3.19Å; Y1550-C1553 WeakPolarHBondContact O-CB 3.46Å; Y1550-C1553 PolarHBondContact O-N 2.94Å; L1551-C1553 VanDerWaalsContact C-N 3.32Å; L1551-C1553 PolarHBondContact O-N 2.97Å; C1553-T1557 WeakPolarHBondContact O-CB 3.49Å; C1553-T1557 WeakPolarHBondContact O-CG2 3.2Å; C1553-T1557 PolarHBondContact O-N 3.14Å; C1553-T1557 PolarHBondContact O-OG1 3.27Å; C1553-A1568 HydrophobicContact CB-CB 4.48Å; C1553-L1569 HydrophobicContact CB-CD1 4.48Å |
| 1554 | K | 88.6 | Confident | 87.8 | Confident | 101 Ų | 101 | 50.4 Ų | 50.4 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 172.6 | -74.4 | -175.3 | 179.5 | -176.2 | 0 | 111.8 | E1514 Y1550 L1551 A1552 T1557 Q1558 | E1514-K1554 IonicContact OE1-NZ 2.74Å; E1514-K1554 PolarHBondContact OE1-NZ 3.24Å; Y1550-K1554 PolarHBondContact O-N 3.16Å; L1551-K1554 HydrophobicContact CD2-CD 4.38Å; L1551-K1554 WeakPolarHBondContact O-CB 3.24Å; L1551-K1554 PolarHBondContact O-N 3.04Å; L1551-K1554 VanDerWaalsContact O-N 3.11Å; A1552-K1554 PolarHBondContact O-N 3Å; K1554-T1557 PolarHBondContact O-OG1 3.21Å; K1554-Q1558 VanDerWaalsContact O-CG 3.3Å; K1554-Q1558 WeakPolarHBondContact O-CG 3.38Å; K1554-Q1558 PolarHBondContact O-N 3.07Å; K1554-Q1558 VanDerWaalsContact O-N 3.15Å |
| 1555 | K | 89.3 | Confident | 87.9 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.8 | -42.9 | -179.8 | -64.2 | -60.2 | 121.2 | -175.5 | 0 | 112.9 | I1517 T1521 L1536 L1539 L1551 A1552 T1557 Q1558 S1559 | I1517-K1555 HydrophobicContact CD1-CD 4.11Å; I1517-K1555 HydrophobicContact CD1-CG 3.72Å; I1517-K1555 HydrophobicContact CG1-CD 4.14Å; I1517-K1555 HydrophobicContact CG1-CG 4.23Å; T1521-K1555 PolarHBondContact OG1-NZ 3.34Å; L1536-K1555 HydrophobicContact CD2-CD 4.05Å; L1539-K1555 HydrophobicContact CB-CD 4.41Å; L1539-K1555 HydrophobicContact CB-CG 4.22Å; L1551-K1555 PolarHBondContact O-N 3.15Å; A1552-K1555 PolarHBondContact O-N 3.26Å; K1555-T1557 VanDerWaalsContact C-N 3.35Å; K1555-T1557 PolarHBondContact O-N 2.88Å; K1555-Q1558 CarbonylContact O-C 3.5Å; K1555-Q1558 WeakPolarHBondContact O-CB 3.37Å; K1555-Q1558 PolarHBondContact O-N 2.86Å; K1555-Q1558 VanDerWaalsContact O-N 3.16Å; K1555-S1559 PolarHBondContact O-N 2.75Å |
| 1556 | F | 91.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.3 | -27.6 | 176.6 | -69.3 | -50.5 | 0 | 0 | 0 | 113.5 | N1537 G1540 E1541 L1544 A1552 S1559 N1561 L1564 A1565 A1568 | N1537-F1556 WeakPolarHBondContact O-CE1 3.44Å; G1540-F1556 WeakPolarHBondContact O-CE2 3.44Å; G1540-F1556 WeakPolarHBondContact O-CZ 3.25Å; E1541-F1556 HydrophobicContact CG-CE1 4.13Å; E1541-F1556 HydrophobicContact CG-CZ 3.87Å; E1541-F1556 VanDerWaalsContact N-CZ 3.35Å; L1544-F1556 HydrophobicContact CB-CE2 4.44Å; L1544-F1556 HydrophobicContact CD1-CE2 4.03Å; A1552-F1556 HydrophobicContact CB-CD2 4.31Å; A1552-F1556 HydrophobicContact CB-CE2 4.18Å; A1552-F1556 WeakPolarHBondContact O-CB 3.41Å; A1552-F1556 WeakPolarHBondContact O-CD2 3.19Å; A1552-F1556 WeakPolarHBondContact O-CG 3.48Å; A1552-F1556 PolarHBondContact O-N 2.93Å; F1556-S1559 PolarHBondContact O-OG 2.86Å; F1556-S1559 VanDerWaalsContact O-OG 3.11Å; F1556-N1561 CarbonylContact O-C 2.96Å; F1556-N1561 VanDerWaalsContact O-C 3.31Å; F1556-N1561 WeakPolarHBondContact O-CA 3.35Å; F1556-N1561 PolarHBondContact O-N 3.43Å; F1556-L1564 HydrophobicContact CB-CB 4.23Å; F1556-L1564 HydrophobicContact CD1-CB 3.63Å; F1556-L1564 HydrophobicContact CD1-CD1 3.89Å; F1556-L1564 HydrophobicContact CD1-CG 4.42Å; F1556-L1564 HydrophobicContact CD2-CB 3.78Å; F1556-L1564 HydrophobicContact CE1-CB 3.79Å; F1556-L1564 HydrophobicContact CE1-CD1 3.39Å; F1556-L1564 HydrophobicContact CE1-CG 4.23Å; F1556-L1564 HydrophobicContact CE2-CB 3.93Å; F1556-L1564 HydrophobicContact CG-CB 3.64Å; F1556-L1564 HydrophobicContact CZ-CB 3.92Å; F1556-L1564 HydrophobicContact CZ-CD1 3.82Å; F1556-L1564 HydrophobicContact CZ-CG 4.45Å; F1556-A1565 HydrophobicContact CB-CB 3.67Å; F1556-A1568 HydrophobicContact CD2-CB 4.3Å; F1556-A1568 HydrophobicContact CE2-CB 4.45Å |
| 1557 | T | 88.8 | Confident | 88.4 | Confident | 49 Ų | 49 | 48.4 Ų | 48.4 | 30% | 0.301 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -72 | -36.3 | 168.7 | 48.2 | 0 | 0 | 0 | 0 | 111.9 | C1553 K1554 K1555 G1560 A1565 F1581 | C1553-T1557 WeakPolarHBondContact O-CB 3.49Å; C1553-T1557 WeakPolarHBondContact O-CG2 3.2Å; C1553-T1557 PolarHBondContact O-N 3.14Å; C1553-T1557 PolarHBondContact O-OG1 3.27Å; K1554-T1557 PolarHBondContact O-OG1 3.21Å; K1555-T1557 VanDerWaalsContact C-N 3.35Å; K1555-T1557 PolarHBondContact O-N 2.88Å; T1557-G1560 PolarHBondContact O-N 3.15Å; T1557-A1565 HydrophobicContact CG2-CB 3.76Å; T1557-F1581 HydrophobicContact CG2-CE2 3.46Å; T1557-F1581 VanDerWaalsContact CG2-CE2 3.46Å; T1557-F1581 HydrophobicContact CG2-CZ 3.73Å |
| 1558 | Q | 86 | Confident | 88.6 | Confident | 106 Ų | 106 | 42 Ų | 42 | 50% | 0.495 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.6 | -30.9 | 173.2 | -73.2 | 174.5 | -14.4 | 0 | 0 | 113.4 | L1536 K1554 K1555 G1560 | L1536-Q1558 HydrophobicContact CD1-CB 4.09Å; L1536-Q1558 HydrophobicContact CD2-CB 4.2Å; K1554-Q1558 VanDerWaalsContact O-CG 3.3Å; K1554-Q1558 WeakPolarHBondContact O-CG 3.38Å; K1554-Q1558 PolarHBondContact O-N 3.07Å; K1554-Q1558 VanDerWaalsContact O-N 3.15Å; K1555-Q1558 CarbonylContact O-C 3.5Å; K1555-Q1558 WeakPolarHBondContact O-CB 3.37Å; K1555-Q1558 PolarHBondContact O-N 2.86Å; K1555-Q1558 VanDerWaalsContact O-N 3.16Å; Q1558-G1560 VanDerWaalsContact C-N 3.27Å; Q1558-G1560 PolarHBondContact O-N 2.8Å |
| 1559 | S | 85.3 | Confident | 88.7 | Confident | 12 Ų | 12 | 38.3 Ų | 38.3 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -10.9 | 175.5 | 75.9 | 0 | 0 | 0 | 0 | 114.3 | S1533 N1537 K1555 F1556 N1561 | S1533-S1559 PolarHBondContact OG-O 3.07Å; N1537-S1559 WeakPolarHBondContact OD1-CB 3Å; N1537-S1559 PolarHBondContact OD1-OG 3.44Å; K1555-S1559 PolarHBondContact O-N 2.75Å; F1556-S1559 PolarHBondContact O-OG 2.86Å; F1556-S1559 VanDerWaalsContact O-OG 3.11Å; S1559-N1561 VanDerWaalsContact C-N 3.32Å; S1559-N1561 VanDerWaalsContact OG-CB 3.28Å; S1559-N1561 WeakPolarHBondContact OG-CB 3.5Å; S1559-N1561 PolarHBondContact OG-N 3.1Å |
| 1560 | G | 84.6 | Confident | 88.7 | Confident | 47 Ų | 47 | 38.5 Ų | 38.5 | 49% | 0.485 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -4.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | T1557 Q1558 H1562 | T1557-G1560 PolarHBondContact O-N 3.15Å; Q1558-G1560 VanDerWaalsContact C-N 3.27Å; Q1558-G1560 PolarHBondContact O-N 2.8Å; G1560-H1562 VanDerWaalsContact C-N 3.31Å; G1560-H1562 PolarHBondContact O-CD2 2.8Å; G1560-H1562 PolarHBondContact O-N 3.44Å |
| 1561 | N | 87.5 | Confident | 88.7 | Confident | 52 Ų | 52 | 39 Ų | 39 | 28% | 0.278 | 20% | 0.201 | S | C | . | . | trans | -86.1 | 65.3 | -176.4 | -160.3 | -24 | 0 | 0 | 0 | 112.6 | N1537 F1556 S1559 L1563 L1564 A1565 | N1537-N1561 WeakPolarHBondContact OD1-CB 3.32Å; N1537-N1561 PolarHBondContact OD1-ND2 2.72Å; F1556-N1561 CarbonylContact O-C 2.96Å; F1556-N1561 VanDerWaalsContact O-C 3.31Å; F1556-N1561 WeakPolarHBondContact O-CA 3.35Å; F1556-N1561 PolarHBondContact O-N 3.43Å; S1559-N1561 VanDerWaalsContact C-N 3.32Å; S1559-N1561 VanDerWaalsContact OG-CB 3.28Å; S1559-N1561 WeakPolarHBondContact OG-CB 3.5Å; S1559-N1561 PolarHBondContact OG-N 3.1Å; N1561-L1563 PolarHBondContact O-N 2.68Å; N1561-L1564 HydrophobicContact CB-CB 4.42Å; N1561-L1564 VanDerWaalsContact ND2-CD1 3.27Å; N1561-L1564 WeakPolarHBondContact ND2-CD1 3.5Å; N1561-L1564 WeakPolarHBondContact ND2-CG 3.16Å; N1561-L1564 PolarHBondContact O-N 2.87Å; N1561-L1564 VanDerWaalsContact O-N 3.12Å; N1561-L1564 WeakPolarHBondContact OD1-CG 3.2Å; N1561-L1564 PolarHBondContact OD1-N 2.95Å; N1561-L1564 VanDerWaalsContact OD1-N 3.14Å; N1561-A1565 PolarHBondContact O-N 2.9Å | ||
| 1562 | H | 88.1 | Confident | 88.7 | Confident | 62 Ų | 62 | 39.4 Ų | 39.4 | 29% | 0.287 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56.7 | -24.3 | -179.7 | -56 | -64.9 | 0 | 0 | 0 | 113.8 | G1560 A1565 M1566 F1581 I1590 | G1560-H1562 VanDerWaalsContact C-N 3.31Å; G1560-H1562 PolarHBondContact O-CD2 2.8Å; G1560-H1562 PolarHBondContact O-N 3.44Å; H1562-A1565 WeakPolarHBondContact O-CB 3.26Å; H1562-M1566 WeakPolarHBondContact O-CB 3.37Å; H1562-M1566 PolarHBondContact O-N 3.17Å; H1562-F1581 HydrophobicContact CB-CZ 4.23Å; H1562-I1590 HydrophobicContact CB-CD1 3.66Å |
| 1563 | L | 89.4 | Confident | 88.5 | Confident | 51 Ų | 51 | 41.3 Ų | 41.3 | 27% | 0.267 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -73.5 | -44.1 | 178.1 | -151.9 | 168.8 | 0 | 0 | 0 | 111.1 | N1561 M1566 K1567 M1593 | N1561-L1563 PolarHBondContact O-N 2.68Å; L1563-M1566 PolarHBondContact O-N 3.44Å; L1563-K1567 WeakPolarHBondContact O-CG 3.49Å; L1563-K1567 PolarHBondContact O-N 2.97Å; L1563-M1593 HydrophobicContact CD2-CE 4.12Å; L1563-M1593 HydrophobicContact CD2-SD 3.64Å; L1563-M1593 HydrophobicContact CG-SD 4.02Å |
| 1564 | L | 89.7 | Confident | 88.4 | Confident | 34 Ų | 34 | 42.3 Ų | 42.3 | 18% | 0.178 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.9 | -36.2 | 169.7 | -69.5 | -171.1 | 0 | 0 | 0 | 112.1 | F1556 N1561 M1566 K1567 A1568 | F1556-L1564 HydrophobicContact CB-CB 4.23Å; F1556-L1564 HydrophobicContact CD1-CB 3.63Å; F1556-L1564 HydrophobicContact CD1-CD1 3.89Å; F1556-L1564 HydrophobicContact CD1-CG 4.42Å; F1556-L1564 HydrophobicContact CD2-CB 3.78Å; F1556-L1564 HydrophobicContact CE1-CB 3.79Å; F1556-L1564 HydrophobicContact CE1-CD1 3.39Å; F1556-L1564 HydrophobicContact CE1-CG 4.23Å; F1556-L1564 HydrophobicContact CE2-CB 3.93Å; F1556-L1564 HydrophobicContact CG-CB 3.64Å; F1556-L1564 HydrophobicContact CZ-CB 3.92Å; F1556-L1564 HydrophobicContact CZ-CD1 3.82Å; F1556-L1564 HydrophobicContact CZ-CG 4.45Å; N1561-L1564 HydrophobicContact CB-CB 4.42Å; N1561-L1564 VanDerWaalsContact ND2-CD1 3.27Å; N1561-L1564 WeakPolarHBondContact ND2-CD1 3.5Å; N1561-L1564 WeakPolarHBondContact ND2-CG 3.16Å; N1561-L1564 PolarHBondContact O-N 2.87Å; N1561-L1564 VanDerWaalsContact O-N 3.12Å; N1561-L1564 WeakPolarHBondContact OD1-CG 3.2Å; N1561-L1564 PolarHBondContact OD1-N 2.95Å; N1561-L1564 VanDerWaalsContact OD1-N 3.14Å; L1564-M1566 VanDerWaalsContact C-N 3.3Å; L1564-M1566 PolarHBondContact O-N 2.79Å; L1564-K1567 HydrophobicContact CD2-CD 3.98Å; L1564-K1567 PolarHBondContact O-N 2.84Å; L1564-K1567 VanDerWaalsContact O-N 3.14Å; L1564-A1568 PolarHBondContact O-N 3.04Å |
| 1565 | A | 90.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.6 | -44.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1556 T1557 N1561 H1562 A1568 L1569 F1581 | F1556-A1565 HydrophobicContact CB-CB 3.67Å; T1557-A1565 HydrophobicContact CG2-CB 3.76Å; N1561-A1565 PolarHBondContact O-N 2.9Å; H1562-A1565 WeakPolarHBondContact O-CB 3.26Å; A1565-A1568 PolarHBondContact O-N 2.92Å; A1565-L1569 WeakPolarHBondContact O-CB 3.21Å; A1565-L1569 PolarHBondContact O-N 2.85Å; A1565-F1581 HydrophobicContact CB-CE1 4.25Å; A1565-F1581 HydrophobicContact CB-CZ 3.91Å |
| 1566 | M | 91.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 175.4 | -171.1 | 61.8 | 172.3 | 0 | 0 | 112.7 | H1562 L1563 L1564 L1569 I1570 I1578 F1581 T1582 I1590 M1593 A1594 | H1562-M1566 WeakPolarHBondContact O-CB 3.37Å; H1562-M1566 PolarHBondContact O-N 3.17Å; L1563-M1566 PolarHBondContact O-N 3.44Å; L1564-M1566 VanDerWaalsContact C-N 3.3Å; L1564-M1566 PolarHBondContact O-N 2.79Å; M1566-L1569 PolarHBondContact O-N 3.35Å; M1566-I1570 HydrophobicContact CE-CD1 4.04Å; M1566-I1570 HydrophobicContact CE-CG1 4.18Å; M1566-I1570 HydrophobicContact CG-CD1 4.01Å; M1566-I1570 HydrophobicContact CG-CG1 4.47Å; M1566-I1570 WeakPolarHBondContact O-CB 3.12Å; M1566-I1570 VanDerWaalsContact O-CG1 3.3Å; M1566-I1570 WeakPolarHBondContact O-CG1 3.45Å; M1566-I1570 PolarHBondContact O-N 2.91Å; M1566-I1578 HydrophobicContact CE-CG2 3.76Å; M1566-F1581 HydrophobicContact CB-CD1 4.49Å; M1566-F1581 HydrophobicContact CB-CE1 4.11Å; M1566-F1581 HydrophobicContact SD-CD1 3.82Å; M1566-F1581 HydrophobicContact SD-CE1 4.37Å; M1566-T1582 WeakPolarHBondContact CE-OG1 3.31Å; M1566-I1590 HydrophobicContact CB-CD1 4.48Å; M1566-I1590 HydrophobicContact CB-CG1 4.16Å; M1566-I1590 HydrophobicContact CB-CG2 4.42Å; M1566-I1590 HydrophobicContact CE-CG2 4Å; M1566-I1590 HydrophobicContact CG-CG1 4.37Å; M1566-I1590 HydrophobicContact CG-CG2 3.94Å; M1566-I1590 HydrophobicContact SD-CG2 3.79Å; M1566-M1593 HydrophobicContact CB-CE 3.8Å; M1566-M1593 HydrophobicContact CB-SD 4.46Å; M1566-M1593 HydrophobicContact CE-CB 4.43Å; M1566-M1593 HydrophobicContact CG-CB 4.14Å; M1566-M1593 HydrophobicContact CG-CE 3.65Å; M1566-M1593 HydrophobicContact CG-SD 4.27Å; M1566-A1594 HydrophobicContact CE-CB 3.51Å |
| 1567 | K | 89.9 | Confident | 88.1 | Confident | 109 Ų | 109 | 49.3 Ų | 49.3 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 173.9 | -69.7 | -177.1 | -171 | 171 | 0 | 112 | L1563 L1564 I1570 K1571 M1593 | L1563-K1567 WeakPolarHBondContact O-CG 3.49Å; L1563-K1567 PolarHBondContact O-N 2.97Å; L1564-K1567 HydrophobicContact CD2-CD 3.98Å; L1564-K1567 PolarHBondContact O-N 2.84Å; L1564-K1567 VanDerWaalsContact O-N 3.14Å; K1567-I1570 PolarHBondContact O-N 2.64Å; K1567-K1571 PolarHBondContact O-N 3Å; K1567-K1571 VanDerWaalsContact O-N 3.17Å; K1567-M1593 HydrophobicContact CB-CE 4.48Å; K1567-M1593 HydrophobicContact CG-CE 3.55Å |
| 1568 | A | 90.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1544 Y1549 A1552 C1553 F1556 L1564 A1565 I1570 K1571 S1572 | L1544-A1568 HydrophobicContact CD1-CB 4.07Å; Y1549-A1568 WeakPolarHBondContact CB-O 3.42Å; A1552-A1568 HydrophobicContact CB-CB 3.77Å; C1553-A1568 HydrophobicContact CB-CB 4.48Å; F1556-A1568 HydrophobicContact CD2-CB 4.3Å; F1556-A1568 HydrophobicContact CE2-CB 4.45Å; L1564-A1568 PolarHBondContact O-N 3.04Å; A1565-A1568 PolarHBondContact O-N 2.92Å; A1568-I1570 PolarHBondContact O-N 2.83Å; A1568-K1571 WeakPolarHBondContact O-CB 3.49Å; A1568-K1571 PolarHBondContact O-N 3.34Å; A1568-K1571 VanDerWaalsContact O-N 3.16Å; A1568-S1572 PolarHBondContact O-N 3.2Å |
| 1569 | L | 90 | Very high | 88.3 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -38.3 | -179 | -161.6 | 67.3 | 0 | 0 | 0 | 112.6 | Y1550 C1553 A1565 M1566 S1572 K1577 I1578 F1581 | Y1550-L1569 HydrophobicContact CD1-CD1 4.3Å; Y1550-L1569 HydrophobicContact CE1-CD1 4.47Å; C1553-L1569 HydrophobicContact CB-CD1 4.48Å; A1565-L1569 WeakPolarHBondContact O-CB 3.21Å; A1565-L1569 PolarHBondContact O-N 2.85Å; M1566-L1569 PolarHBondContact O-N 3.35Å; L1569-S1572 WeakPolarHBondContact O-CB 3.29Å; L1569-S1572 PolarHBondContact O-N 3.25Å; L1569-S1572 VanDerWaalsContact O-N 3.1Å; L1569-S1572 PolarHBondContact O-OG 3.02Å; L1569-K1577 HydrophobicContact CD1-CB 4.07Å; L1569-I1578 HydrophobicContact CB-CG1 4.48Å; L1569-I1578 HydrophobicContact CD2-CG1 4.14Å; L1569-I1578 HydrophobicContact CG-CG1 3.82Å; L1569-F1581 HydrophobicContact CD2-CB 3.42Å; L1569-F1581 VanDerWaalsContact CD2-CB 3.42Å; L1569-F1581 HydrophobicContact CD2-CD1 3.94Å; L1569-F1581 HydrophobicContact CD2-CG 3.83Å |
| 1570 | I | 89.6 | Confident | 88.5 | Confident | 42 Ų | 42 | 50.6 Ų | 50.6 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 172.8 | -76.7 | 169.3 | 0 | 0 | 0 | 111.5 | M1566 K1567 A1568 S1572 G1573 I1578 M1593 Y1597 | M1566-I1570 HydrophobicContact CE-CD1 4.04Å; M1566-I1570 HydrophobicContact CE-CG1 4.18Å; M1566-I1570 HydrophobicContact CG-CD1 4.01Å; M1566-I1570 HydrophobicContact CG-CG1 4.47Å; M1566-I1570 WeakPolarHBondContact O-CB 3.12Å; M1566-I1570 VanDerWaalsContact O-CG1 3.3Å; M1566-I1570 WeakPolarHBondContact O-CG1 3.45Å; M1566-I1570 PolarHBondContact O-N 2.91Å; K1567-I1570 PolarHBondContact O-N 2.64Å; A1568-I1570 PolarHBondContact O-N 2.83Å; I1570-S1572 PolarHBondContact O-N 2.7Å; I1570-G1573 PolarHBondContact O-N 3.46Å; I1570-I1578 HydrophobicContact CG1-CD1 4.42Å; I1570-M1593 HydrophobicContact CD1-CB 4Å; I1570-M1593 HydrophobicContact CD1-CE 4.02Å; I1570-Y1597 HydrophobicContact CG1-CG 4.22Å; I1570-Y1597 HydrophobicContact CG2-CD2 3.74Å; I1570-Y1597 HydrophobicContact CG2-CE2 4.35Å; I1570-Y1597 HydrophobicContact CG2-CG 4.23Å |
| 1571 | K | 87.7 | Confident | 88.8 | Confident | 111 Ų | 111 | 49.6 Ų | 49.6 | 48% | 0.483 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.4 | -26.2 | 173.8 | -75.1 | -167 | 173.6 | -165.9 | 0 | 113.3 | L1544 Y1549 K1567 A1568 G1573 | L1544-K1571 HydrophobicContact CG-CD 4.45Å; Y1549-K1571 HydrophobicContact CD1-CB 3.58Å; Y1549-K1571 HydrophobicContact CD1-CD 3.99Å; Y1549-K1571 HydrophobicContact CD1-CG 4.47Å; Y1549-K1571 HydrophobicContact CD2-CB 4.33Å; Y1549-K1571 HydrophobicContact CE1-CB 3.49Å; Y1549-K1571 VanDerWaalsContact CE1-CB 3.49Å; Y1549-K1571 HydrophobicContact CE1-CD 3.32Å; Y1549-K1571 HydrophobicContact CE1-CG 4.09Å; Y1549-K1571 HydrophobicContact CE2-CB 4.22Å; Y1549-K1571 HydrophobicContact CG-CB 4.03Å; K1567-K1571 PolarHBondContact O-N 3Å; K1567-K1571 VanDerWaalsContact O-N 3.17Å; A1568-K1571 WeakPolarHBondContact O-CB 3.49Å; A1568-K1571 PolarHBondContact O-N 3.34Å; A1568-K1571 VanDerWaalsContact O-N 3.16Å; K1571-G1573 VanDerWaalsContact C-N 3.26Å; K1571-G1573 PolarHBondContact O-N 2.69Å |
| 1572 | S | 86.8 | Confident | 88.9 | Confident | 23 Ų | 23 | 47.1 Ų | 47.1 | 16% | 0.161 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -15.1 | 179.7 | 79.5 | 0 | 0 | 0 | 0 | 114.9 | A1568 L1569 I1570 D1574 | A1568-S1572 PolarHBondContact O-N 3.2Å; L1569-S1572 WeakPolarHBondContact O-CB 3.29Å; L1569-S1572 PolarHBondContact O-N 3.25Å; L1569-S1572 VanDerWaalsContact O-N 3.1Å; L1569-S1572 PolarHBondContact O-OG 3.02Å; I1570-S1572 PolarHBondContact O-N 2.7Å; S1572-D1574 PolarHBondContact O-N 3.43Å; S1572-D1574 VanDerWaalsContact O-N 3.11Å; S1572-D1574 PolarHBondContact OG-N 2.75Å |
| 1573 | G | 84.4 | Confident | 88.9 | Confident | 39 Ų | 39 | 46.7 Ų | 46.7 | 40% | 0.402 | 23% | 0.234 | S | C | . | . | trans | 70.8 | -5.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115.8 | I1570 K1571 T1575 Y1597 | I1570-G1573 PolarHBondContact O-N 3.46Å; K1571-G1573 VanDerWaalsContact C-N 3.26Å; K1571-G1573 PolarHBondContact O-N 2.69Å; G1573-T1575 PolarHBondContact O-N 3.02Å; G1573-Y1597 WeakPolarHBondContact CA-OH 3.14Å; G1573-Y1597 PolarHBondContact O-OH 3.16Å | ||
| 1574 | D | 87 | Confident | 88.9 | Confident | 36 Ų | 36 | 48.8 Ų | 48.8 | 19% | 0.193 | 25% | 0.245 | C | C | . | . | trans | -76.4 | 88.5 | -176.3 | -169.7 | -34.3 | 0 | 0 | 0 | 112 | Y1550 S1572 N1576 K1577 I1578 | Y1550-D1574 HydrophobicContact CE1-CB 4.25Å; S1572-D1574 PolarHBondContact O-N 3.43Å; S1572-D1574 VanDerWaalsContact O-N 3.11Å; S1572-D1574 PolarHBondContact OG-N 2.75Å; D1574-N1576 PolarHBondContact O-N 2.74Å; D1574-N1576 VanDerWaalsContact O-N 3.17Å; D1574-N1576 WeakPolarHBondContact OD1-CB 3.47Å; D1574-N1576 PolarHBondContact OD1-N 2.8Å; D1574-K1577 HydrophobicContact CB-CB 4.12Å; D1574-K1577 HydrophobicContact CB-CD 4.34Å; D1574-K1577 HydrophobicContact CB-CG 4.33Å; D1574-K1577 PolarHBondContact O-N 3.03Å; D1574-K1577 PolarHBondContact OD1-N 3.38Å; D1574-K1577 WeakPolarHBondContact OD2-CD 3.24Å; D1574-K1577 WeakPolarHBondContact OD2-CE 3.41Å; D1574-K1577 WeakPolarHBondContact OD2-CG 3.07Å; D1574-K1577 IonicContact OD2-NZ 3.08Å; D1574-K1577 PolarHBondContact OD2-NZ 3.41Å; D1574-I1578 WeakPolarHBondContact O-CB 3.5Å; D1574-I1578 WeakPolarHBondContact O-CD1 3.31Å; D1574-I1578 WeakPolarHBondContact O-CG1 3.46Å; D1574-I1578 PolarHBondContact O-N 3.03Å | ||
| 1575 | T | 87.9 | Confident | 88.5 | Confident | 43 Ų | 43 | 48.4 Ų | 48.4 | 26% | 0.264 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -51.5 | -36.1 | 177.9 | 59 | 0 | 0 | 0 | 0 | 113.3 | G1573 I1579 Y1597 L1601 | G1573-T1575 PolarHBondContact O-N 3.02Å; T1575-I1579 WeakPolarHBondContact O-CB 3.41Å; T1575-I1579 WeakPolarHBondContact O-CD1 3.45Å; T1575-I1579 VanDerWaalsContact O-CG1 3.25Å; T1575-I1579 WeakPolarHBondContact O-CG1 3.43Å; T1575-I1579 PolarHBondContact O-N 2.86Å; T1575-Y1597 HydrophobicContact CG2-CE1 4.13Å; T1575-L1601 HydrophobicContact CG2-CD1 3.7Å; T1575-L1601 HydrophobicContact CG2-CD2 4.02Å |
| 1576 | N | 88.1 | Confident | 88.2 | Confident | 124 Ų | 124 | 55.8 Ų | 55.8 | 66% | 0.663 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -72.3 | -47.7 | -179.2 | -67.5 | -52 | 0 | 0 | 0 | 111.4 | D1574 I1578 I1579 Y1580 | D1574-N1576 PolarHBondContact O-N 2.74Å; D1574-N1576 VanDerWaalsContact O-N 3.17Å; D1574-N1576 WeakPolarHBondContact OD1-CB 3.47Å; D1574-N1576 PolarHBondContact OD1-N 2.8Å; N1576-I1578 VanDerWaalsContact C-N 3.32Å; N1576-I1578 PolarHBondContact O-N 3.3Å; N1576-I1579 PolarHBondContact O-N 3.17Å; N1576-Y1580 WeakPolarHBondContact O-CB 3.28Å; N1576-Y1580 PolarHBondContact O-N 3.43Å |
| 1577 | K | 87.2 | Confident | 87.9 | Confident | 89 Ų | 89 | 59.1 Ų | 59.1 | 39% | 0.387 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.8 | -36.7 | 174.7 | -68.6 | -176.2 | -169.3 | 103.8 | 0 | 111.5 | Y1550 L1569 D1574 Y1580 F1581 | Y1550-K1577 HydrophobicContact CD1-CD 3.95Å; Y1550-K1577 HydrophobicContact CE1-CD 3.59Å; Y1550-K1577 PolarHBondContact OH-NZ 3.03Å; L1569-K1577 HydrophobicContact CD1-CB 4.07Å; D1574-K1577 HydrophobicContact CB-CB 4.12Å; D1574-K1577 HydrophobicContact CB-CD 4.34Å; D1574-K1577 HydrophobicContact CB-CG 4.33Å; D1574-K1577 PolarHBondContact O-N 3.03Å; D1574-K1577 PolarHBondContact OD1-N 3.38Å; D1574-K1577 WeakPolarHBondContact OD2-CD 3.24Å; D1574-K1577 WeakPolarHBondContact OD2-CE 3.41Å; D1574-K1577 WeakPolarHBondContact OD2-CG 3.07Å; D1574-K1577 IonicContact OD2-NZ 3.08Å; D1574-K1577 PolarHBondContact OD2-NZ 3.41Å; K1577-Y1580 PolarHBondContact O-N 3.02Å; K1577-F1581 WeakPolarHBondContact O-CB 3.28Å; K1577-F1581 PolarHBondContact O-N 3.05Å |
| 1578 | I | 89.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 174.3 | -70 | 165.7 | 0 | 0 | 0 | 110.5 | M1566 L1569 I1570 D1574 N1576 Y1580 T1582 A1594 Y1597 | M1566-I1578 HydrophobicContact CE-CG2 3.76Å; L1569-I1578 HydrophobicContact CB-CG1 4.48Å; L1569-I1578 HydrophobicContact CD2-CG1 4.14Å; L1569-I1578 HydrophobicContact CG-CG1 3.82Å; I1570-I1578 HydrophobicContact CG1-CD1 4.42Å; D1574-I1578 WeakPolarHBondContact O-CB 3.5Å; D1574-I1578 WeakPolarHBondContact O-CD1 3.31Å; D1574-I1578 WeakPolarHBondContact O-CG1 3.46Å; D1574-I1578 PolarHBondContact O-N 3.03Å; N1576-I1578 VanDerWaalsContact C-N 3.32Å; N1576-I1578 PolarHBondContact O-N 3.3Å; I1578-Y1580 VanDerWaalsContact C-N 3.35Å; I1578-Y1580 PolarHBondContact O-N 3.49Å; I1578-T1582 WeakPolarHBondContact O-CB 3.36Å; I1578-T1582 PolarHBondContact O-N 3.41Å; I1578-T1582 PolarHBondContact O-OG1 3.25Å; I1578-A1594 HydrophobicContact CG2-CB 4.5Å; I1578-Y1597 HydrophobicContact CD1-CD1 3.75Å; I1578-Y1597 HydrophobicContact CD1-CE1 3.29Å; I1578-Y1597 HydrophobicContact CD1-CE2 4.48Å; I1578-Y1597 HydrophobicContact CD1-CG 4.5Å; I1578-Y1597 HydrophobicContact CG2-CD1 4.05Å; I1578-Y1597 HydrophobicContact CG2-CE1 4.42Å |
| 1579 | I | 89.8 | Confident | 87.7 | Confident | 29 Ų | 29 | 64.9 Ų | 64.9 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.9 | -41 | 175.2 | -73.4 | 166 | 0 | 0 | 0 | 111.4 | T1575 N1576 N1583 F1617 | T1575-I1579 WeakPolarHBondContact O-CB 3.41Å; T1575-I1579 WeakPolarHBondContact O-CD1 3.45Å; T1575-I1579 VanDerWaalsContact O-CG1 3.25Å; T1575-I1579 WeakPolarHBondContact O-CG1 3.43Å; T1575-I1579 PolarHBondContact O-N 2.86Å; N1576-I1579 PolarHBondContact O-N 3.17Å; I1579-N1583 PolarHBondContact O-N 2.85Å; I1579-N1583 PolarHBondContact O-ND2 2.86Å; I1579-F1617 HydrophobicContact CB-CZ 4.34Å; I1579-F1617 HydrophobicContact CG1-CE2 4.09Å; I1579-F1617 HydrophobicContact CG1-CZ 4.08Å; I1579-F1617 HydrophobicContact CG2-CZ 4.23Å |
| 1580 | Y | 89.2 | Confident | 87.7 | Confident | 165 Ų | 165 | 64.5 Ų | 64.5 | 65% | 0.647 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.5 | -53 | 178.1 | -179.7 | -106.4 | 0 | 0 | 0 | 112.4 | N1576 K1577 I1578 T1582 N1583 I1584 | N1576-Y1580 WeakPolarHBondContact O-CB 3.28Å; N1576-Y1580 PolarHBondContact O-N 3.43Å; K1577-Y1580 PolarHBondContact O-N 3.02Å; I1578-Y1580 VanDerWaalsContact C-N 3.35Å; I1578-Y1580 PolarHBondContact O-N 3.49Å; Y1580-T1582 VanDerWaalsContact C-N 3.29Å; Y1580-T1582 PolarHBondContact O-N 3.36Å; Y1580-N1583 PolarHBondContact O-N 2.88Å; Y1580-N1583 VanDerWaalsContact O-N 3.11Å; Y1580-I1584 HydrophobicContact CD1-CD1 3.85Å; Y1580-I1584 HydrophobicContact CD2-CD1 4.32Å; Y1580-I1584 HydrophobicContact CE1-CD1 3.39Å; Y1580-I1584 HydrophobicContact CE2-CD1 3.92Å; Y1580-I1584 HydrophobicContact CG-CD1 4.29Å; Y1580-I1584 VanDerWaalsContact CZ-CD1 3.43Å; Y1580-I1584 PolarHBondContact O-N 2.84Å |
| 1581 | F | 90.4 | Very high | 87.8 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 11% | 0.11 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.4 | -35.9 | 178.7 | -174.1 | -110.3 | 0 | 0 | 0 | 112.5 | T1557 H1562 A1565 M1566 L1569 K1577 I1584 S1585 I1590 | T1557-F1581 HydrophobicContact CG2-CE2 3.46Å; T1557-F1581 VanDerWaalsContact CG2-CE2 3.46Å; T1557-F1581 HydrophobicContact CG2-CZ 3.73Å; H1562-F1581 HydrophobicContact CB-CZ 4.23Å; A1565-F1581 HydrophobicContact CB-CE1 4.25Å; A1565-F1581 HydrophobicContact CB-CZ 3.91Å; M1566-F1581 HydrophobicContact CB-CD1 4.49Å; M1566-F1581 HydrophobicContact CB-CE1 4.11Å; M1566-F1581 HydrophobicContact SD-CD1 3.82Å; M1566-F1581 HydrophobicContact SD-CE1 4.37Å; L1569-F1581 HydrophobicContact CD2-CB 3.42Å; L1569-F1581 VanDerWaalsContact CD2-CB 3.42Å; L1569-F1581 HydrophobicContact CD2-CD1 3.94Å; L1569-F1581 HydrophobicContact CD2-CG 3.83Å; K1577-F1581 WeakPolarHBondContact O-CB 3.28Å; K1577-F1581 PolarHBondContact O-N 3.05Å; F1581-I1584 PolarHBondContact O-N 2.63Å; F1581-S1585 VanDerWaalsContact O-CB 3.31Å; F1581-S1585 WeakPolarHBondContact O-CB 3.41Å; F1581-S1585 PolarHBondContact O-N 3.04Å; F1581-S1585 PolarHBondContact O-OG 2.65Å; F1581-I1590 HydrophobicContact CD1-CG2 4.48Å; F1581-I1590 HydrophobicContact CE1-CD1 4.02Å |
| 1582 | T | 89.9 | Confident | 88 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65 | -38.1 | 174.3 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | M1566 I1578 Y1580 I1590 Y1591 A1594 F1617 | M1566-T1582 WeakPolarHBondContact CE-OG1 3.31Å; I1578-T1582 WeakPolarHBondContact O-CB 3.36Å; I1578-T1582 PolarHBondContact O-N 3.41Å; I1578-T1582 PolarHBondContact O-OG1 3.25Å; Y1580-T1582 VanDerWaalsContact C-N 3.29Å; Y1580-T1582 PolarHBondContact O-N 3.36Å; T1582-I1590 HydrophobicContact CG2-CG2 4.47Å; T1582-Y1591 HydrophobicContact CG2-CD1 3.31Å; T1582-Y1591 HydrophobicContact CG2-CE1 3.62Å; T1582-Y1591 HydrophobicContact CG2-CG 4.28Å; T1582-Y1591 WeakPolarHBondContact O-CE1 3.29Å; T1582-A1594 HydrophobicContact CG2-CB 3.65Å; T1582-A1594 VanDerWaalsContact OG1-CB 3.29Å; T1582-A1594 WeakPolarHBondContact OG1-CB 3.06Å; T1582-F1617 HydrophobicContact CG2-CD1 3.85Å; T1582-F1617 HydrophobicContact CG2-CD2 4.05Å; T1582-F1617 HydrophobicContact CG2-CE1 3.64Å; T1582-F1617 HydrophobicContact CG2-CE2 3.84Å; T1582-F1617 HydrophobicContact CG2-CG 4.05Å; T1582-F1617 HydrophobicContact CG2-CZ 3.63Å |
| 1583 | N | 88.3 | Confident | 88.1 | Confident | 54 Ų | 54 | 60.9 Ų | 60.9 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71.5 | -31 | 175.2 | -82.3 | -69.4 | 0 | 0 | 0 | 113.2 | I1579 Y1580 R1620 | I1579-N1583 PolarHBondContact O-N 2.85Å; I1579-N1583 PolarHBondContact O-ND2 2.86Å; Y1580-N1583 PolarHBondContact O-N 2.88Å; Y1580-N1583 VanDerWaalsContact O-N 3.11Å; N1583-R1620 PolarHBondContact OD1-NH1 2.89Å |
| 1584 | I | 88.4 | Confident | 88.4 | Confident | 95 Ų | 95 | 59 Ų | 59 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -77.6 | -50.4 | 178.6 | -71.4 | 173.3 | 0 | 0 | 0 | 112.2 | Y1580 F1581 K1586 | Y1580-I1584 HydrophobicContact CD1-CD1 3.85Å; Y1580-I1584 HydrophobicContact CD2-CD1 4.32Å; Y1580-I1584 HydrophobicContact CE1-CD1 3.39Å; Y1580-I1584 HydrophobicContact CE2-CD1 3.92Å; Y1580-I1584 HydrophobicContact CG-CD1 4.29Å; Y1580-I1584 VanDerWaalsContact CZ-CD1 3.43Å; Y1580-I1584 PolarHBondContact O-N 2.84Å; F1581-I1584 PolarHBondContact O-N 2.63Å; I1584-K1586 PolarHBondContact O-N 2.85Å |
| 1585 | S | 81.6 | Confident | 88.5 | Confident | 25 Ų | 25 | 57.3 Ų | 57.3 | 18% | 0.175 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.8 | -30.6 | -168.4 | 54.9 | 0 | 0 | 0 | 0 | 114.6 | F1581 Q1587 I1590 | F1581-S1585 VanDerWaalsContact O-CB 3.31Å; F1581-S1585 WeakPolarHBondContact O-CB 3.41Å; F1581-S1585 PolarHBondContact O-N 3.04Å; F1581-S1585 PolarHBondContact O-OG 2.65Å; S1585-Q1587 PolarHBondContact O-N 2.83Å; S1585-I1590 WeakPolarHBondContact OG-CG2 3.34Å |
| 1586 | K | 83.1 | Confident | 88.7 | Confident | 156 Ų | 156 | 58.8 Ų | 58.8 | 68% | 0.678 | 28% | 0.277 | S | S | * | . | trans | 58.7 | 9.6 | 175.5 | -62.3 | 166.4 | -174.4 | 170.9 | 0 | 116.3 | I1584 | I1584-K1586 PolarHBondContact O-N 2.85Š| ||
| 1587 | Q | 86.7 | Confident | 88.8 | Confident | 70 Ų | 70 | 54.2 Ų | 54.2 | 33% | 0.327 | 25% | 0.251 | S | S | . | . | trans | -80.9 | 138.5 | 177.9 | -65.8 | -176.2 | -22.9 | 0 | 0 | 111.4 | S1585 E1589 I1590 Y1591 | S1585-Q1587 PolarHBondContact O-N 2.83Å; Q1587-E1589 VanDerWaalsContact C-N 3.33Å; Q1587-E1589 PolarHBondContact O-N 3.09Å; Q1587-I1590 HydrophobicContact CB-CB 4.3Å; Q1587-I1590 HydrophobicContact CB-CD1 4.12Å; Q1587-I1590 HydrophobicContact CB-CG1 4.18Å; Q1587-I1590 HydrophobicContact CG-CD1 4.44Å; Q1587-I1590 PolarHBondContact O-N 3.33Å; Q1587-I1590 VanDerWaalsContact OE1-CD1 3.23Å; Q1587-Y1591 VanDerWaalsContact O-CD2 3.25Å; Q1587-Y1591 WeakPolarHBondContact O-CD2 3.29Å; Q1587-Y1591 PolarHBondContact O-N 2.91Å; Q1587-Y1591 VanDerWaalsContact O-N 3.09Å | ||
| 1588 | K | 88.1 | Confident | 88.9 | Confident | 116 Ų | 116 | 50 Ų | 50 | 50% | 0.504 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.8 | -44.6 | -178.9 | -60.6 | -171.6 | -167.2 | -176.8 | 0 | 112.3 | I1590 Y1591 I1592 Q1622 | K1588-I1590 VanDerWaalsContact C-N 3.35Å; K1588-I1590 PolarHBondContact O-N 3.37Å; K1588-Y1591 WeakPolarHBondContact O-CB 3.49Å; K1588-Y1591 PolarHBondContact O-N 3.31Å; K1588-I1592 VanDerWaalsContact O-CG1 3.29Å; K1588-I1592 WeakPolarHBondContact O-CG1 3.22Å; K1588-I1592 PolarHBondContact O-N 2.88Å; K1588-Q1622 VanDerWaalsContact CE-OE1 3.3Å |
| 1589 | E | 87.4 | Confident | 88.8 | Confident | 113 Ų | 113 | 52.8 Ų | 52.8 | 53% | 0.528 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62 | -40.1 | 179.4 | -70.9 | 146.5 | -157 | 0 | 0 | 112.2 | Q1587 I1592 M1593 | Q1587-E1589 VanDerWaalsContact C-N 3.33Å; Q1587-E1589 PolarHBondContact O-N 3.09Å; E1589-I1592 PolarHBondContact O-N 2.94Å; E1589-M1593 WeakPolarHBondContact O-CB 3.49Å; E1589-M1593 VanDerWaalsContact O-CG 3.31Å; E1589-M1593 WeakPolarHBondContact O-CG 3.47Å; E1589-M1593 PolarHBondContact O-N 3.47Å |
| 1590 | I | 90.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69 | -39.9 | 177.7 | -66 | 176.2 | 0 | 0 | 0 | 110.9 | H1562 M1566 F1581 T1582 S1585 Q1587 K1588 I1592 M1593 A1594 | H1562-I1590 HydrophobicContact CB-CD1 3.66Å; M1566-I1590 HydrophobicContact CB-CD1 4.48Å; M1566-I1590 HydrophobicContact CB-CG1 4.16Å; M1566-I1590 HydrophobicContact CB-CG2 4.42Å; M1566-I1590 HydrophobicContact CE-CG2 4Å; M1566-I1590 HydrophobicContact CG-CG1 4.37Å; M1566-I1590 HydrophobicContact CG-CG2 3.94Å; M1566-I1590 HydrophobicContact SD-CG2 3.79Å; F1581-I1590 HydrophobicContact CD1-CG2 4.48Å; F1581-I1590 HydrophobicContact CE1-CD1 4.02Å; T1582-I1590 HydrophobicContact CG2-CG2 4.47Å; S1585-I1590 WeakPolarHBondContact OG-CG2 3.34Å; Q1587-I1590 HydrophobicContact CB-CB 4.3Å; Q1587-I1590 HydrophobicContact CB-CD1 4.12Å; Q1587-I1590 HydrophobicContact CB-CG1 4.18Å; Q1587-I1590 HydrophobicContact CG-CD1 4.44Å; Q1587-I1590 PolarHBondContact O-N 3.33Å; Q1587-I1590 VanDerWaalsContact OE1-CD1 3.23Å; K1588-I1590 VanDerWaalsContact C-N 3.35Å; K1588-I1590 PolarHBondContact O-N 3.37Å; I1590-I1592 VanDerWaalsContact C-N 3.3Å; I1590-I1592 PolarHBondContact O-N 3.18Å; I1590-M1593 PolarHBondContact O-N 2.7Å; I1590-A1594 VanDerWaalsContact O-CB 3.3Å; I1590-A1594 WeakPolarHBondContact O-CB 3.5Å; I1590-A1594 PolarHBondContact O-N 2.96Å |
| 1591 | Y | 92.2 | Very high | 88.4 | Confident | 16 Ų | 16 | 49.8 Ų | 49.8 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.2 | -42.3 | 170.5 | -73.4 | -56 | 0 | 0 | 0 | 112.1 | T1582 Q1587 K1588 A1594 A1595 F1617 R1620 | T1582-Y1591 HydrophobicContact CG2-CD1 3.31Å; T1582-Y1591 HydrophobicContact CG2-CE1 3.62Å; T1582-Y1591 HydrophobicContact CG2-CG 4.28Å; T1582-Y1591 WeakPolarHBondContact O-CE1 3.29Å; Q1587-Y1591 VanDerWaalsContact O-CD2 3.25Å; Q1587-Y1591 WeakPolarHBondContact O-CD2 3.29Å; Q1587-Y1591 PolarHBondContact O-N 2.91Å; Q1587-Y1591 VanDerWaalsContact O-N 3.09Å; K1588-Y1591 WeakPolarHBondContact O-CB 3.49Å; K1588-Y1591 PolarHBondContact O-N 3.31Å; Y1591-A1594 PolarHBondContact O-N 2.76Å; Y1591-A1595 WeakPolarHBondContact O-CB 3.43Å; Y1591-A1595 PolarHBondContact O-N 3.39Å; Y1591-F1617 WeakPolarHBondContact CB-O 3.42Å; Y1591-F1617 HydrophobicContact CD1-CB 4.32Å; Y1591-F1617 AromaticContact CD1-CD1 3.76Å; Y1591-F1617 HydrophobicContact CD1-CD1 3.76Å; Y1591-F1617 HydrophobicContact CD1-CE1 4.41Å; Y1591-F1617 HydrophobicContact CD1-CG 4.21Å; Y1591-F1617 HydrophobicContact CE1-CD1 4.14Å; Y1591-F1617 HydrophobicContact CE1-CE1 4.46Å; Y1591-R1620 HydrophobicContact CD1-CB 4.08Å; Y1591-R1620 HydrophobicContact CD2-CB 3.79Å; Y1591-R1620 HydrophobicContact CE1-CB 4.16Å; Y1591-R1620 HydrophobicContact CE2-CB 3.82Å; Y1591-R1620 HydrophobicContact CG-CB 3.96Å |
| 1592 | I | 90.8 | Very high | 87.7 | Confident | 47 Ų | 47 | 55.3 Ų | 55.3 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.3 | -46.1 | 177.7 | -65.1 | 162.7 | 0 | 0 | 0 | 111 | K1588 E1589 I1590 A1594 A1595 N1596 A1623 | K1588-I1592 VanDerWaalsContact O-CG1 3.29Å; K1588-I1592 WeakPolarHBondContact O-CG1 3.22Å; K1588-I1592 PolarHBondContact O-N 2.88Å; E1589-I1592 PolarHBondContact O-N 2.94Å; I1590-I1592 VanDerWaalsContact C-N 3.3Å; I1590-I1592 PolarHBondContact O-N 3.18Å; I1592-A1594 VanDerWaalsContact C-N 3.34Å; I1592-A1594 PolarHBondContact O-N 3.25Å; I1592-A1595 PolarHBondContact O-N 2.85Å; I1592-N1596 WeakPolarHBondContact O-CB 3.25Å; I1592-N1596 PolarHBondContact O-N 3.29Å; I1592-N1596 PolarHBondContact O-OD1 3.46Å; I1592-A1623 HydrophobicContact CD1-CB 3.82Å; I1592-A1623 HydrophobicContact CG1-CB 3.65Å |
| 1593 | M | 89.3 | Confident | 86.8 | Confident | 36 Ų | 36 | 60.3 Ų | 60.3 | 18% | 0.177 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 177.1 | -72.9 | 172.3 | 63.7 | 0 | 0 | 112.2 | L1563 M1566 K1567 I1570 E1589 I1590 Y1597 | L1563-M1593 HydrophobicContact CD2-CE 4.12Å; L1563-M1593 HydrophobicContact CD2-SD 3.64Å; L1563-M1593 HydrophobicContact CG-SD 4.02Å; M1566-M1593 HydrophobicContact CB-CE 3.8Å; M1566-M1593 HydrophobicContact CB-SD 4.46Å; M1566-M1593 HydrophobicContact CE-CB 4.43Å; M1566-M1593 HydrophobicContact CG-CB 4.14Å; M1566-M1593 HydrophobicContact CG-CE 3.65Å; M1566-M1593 HydrophobicContact CG-SD 4.27Å; K1567-M1593 HydrophobicContact CB-CE 4.48Å; K1567-M1593 HydrophobicContact CG-CE 3.55Å; I1570-M1593 HydrophobicContact CD1-CB 4Å; I1570-M1593 HydrophobicContact CD1-CE 4.02Å; E1589-M1593 WeakPolarHBondContact O-CB 3.49Å; E1589-M1593 VanDerWaalsContact O-CG 3.31Å; E1589-M1593 WeakPolarHBondContact O-CG 3.47Å; E1589-M1593 PolarHBondContact O-N 3.47Å; I1590-M1593 PolarHBondContact O-N 2.7Å; M1593-Y1597 WeakPolarHBondContact O-CB 3.41Å; M1593-Y1597 PolarHBondContact O-N 3.46Å |
| 1594 | A | 91.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -47.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1566 I1578 T1582 I1590 Y1591 I1592 Y1597 L1598 F1617 | M1566-A1594 HydrophobicContact CE-CB 3.51Å; I1578-A1594 HydrophobicContact CG2-CB 4.5Å; T1582-A1594 HydrophobicContact CG2-CB 3.65Å; T1582-A1594 VanDerWaalsContact OG1-CB 3.29Å; T1582-A1594 WeakPolarHBondContact OG1-CB 3.06Å; I1590-A1594 VanDerWaalsContact O-CB 3.3Å; I1590-A1594 WeakPolarHBondContact O-CB 3.5Å; I1590-A1594 PolarHBondContact O-N 2.96Å; Y1591-A1594 PolarHBondContact O-N 2.76Å; I1592-A1594 VanDerWaalsContact C-N 3.34Å; I1592-A1594 PolarHBondContact O-N 3.25Å; A1594-Y1597 PolarHBondContact O-N 3.31Å; A1594-L1598 WeakPolarHBondContact O-CB 3.45Å; A1594-L1598 VanDerWaalsContact O-CG 3.31Å; A1594-L1598 WeakPolarHBondContact O-CG 3.42Å; A1594-L1598 PolarHBondContact O-N 2.78Å; A1594-F1617 HydrophobicContact CB-CD2 3.52Å; A1594-F1617 HydrophobicContact CB-CE2 3.75Å; A1594-F1617 HydrophobicContact CB-CG 4.36Å |
| 1595 | A | 90.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1591 I1592 L1598 Q1599 F1617 Y1618 | Y1591-A1595 WeakPolarHBondContact O-CB 3.43Å; Y1591-A1595 PolarHBondContact O-N 3.39Å; I1592-A1595 PolarHBondContact O-N 2.85Å; A1595-L1598 PolarHBondContact O-N 3.38Å; A1595-Q1599 PolarHBondContact O-N 3.35Å; A1595-F1617 HydrophobicContact CB-CB 3.87Å; A1595-Y1618 HydrophobicContact CB-CD1 3.58Å; A1595-Y1618 HydrophobicContact CB-CD2 3.85Å; A1595-Y1618 HydrophobicContact CB-CE1 3.37Å; A1595-Y1618 HydrophobicContact CB-CE2 3.65Å; A1595-Y1618 HydrophobicContact CB-CG 3.81Å; A1595-Y1618 VanDerWaalsContact CB-CZ 3.4Å |
| 1596 | N | 90.2 | Very high | 85.6 | Confident | 74 Ų | 74 | 60.7 Ų | 60.7 | 40% | 0.396 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 173.9 | -69.1 | -0.8 | 0 | 0 | 0 | 111.5 | I1592 Q1599 Y1618 | I1592-N1596 WeakPolarHBondContact O-CB 3.25Å; I1592-N1596 PolarHBondContact O-N 3.29Å; I1592-N1596 PolarHBondContact O-OD1 3.46Å; N1596-Q1599 PolarHBondContact O-N 2.87Å; N1596-Y1618 PolarHBondContact N-OH 2.98Å; N1596-Y1618 WeakPolarHBondContact OD1-CE1 3.49Å; N1596-Y1618 PolarHBondContact OD1-OH 2.88Å |
| 1597 | Y | 90.5 | Very high | 85.5 | Confident | 29 Ų | 29 | 56.4 Ų | 56.4 | 11% | 0.114 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 176.6 | 168.2 | -103 | 0 | 0 | 0 | 112.4 | I1570 G1573 T1575 I1578 M1593 A1594 Q1599 T1600 L1601 | I1570-Y1597 HydrophobicContact CG1-CG 4.22Å; I1570-Y1597 HydrophobicContact CG2-CD2 3.74Å; I1570-Y1597 HydrophobicContact CG2-CE2 4.35Å; I1570-Y1597 HydrophobicContact CG2-CG 4.23Å; G1573-Y1597 WeakPolarHBondContact CA-OH 3.14Å; G1573-Y1597 PolarHBondContact O-OH 3.16Å; T1575-Y1597 HydrophobicContact CG2-CE1 4.13Å; I1578-Y1597 HydrophobicContact CD1-CD1 3.75Å; I1578-Y1597 HydrophobicContact CD1-CE1 3.29Å; I1578-Y1597 HydrophobicContact CD1-CE2 4.48Å; I1578-Y1597 HydrophobicContact CD1-CG 4.5Å; I1578-Y1597 HydrophobicContact CG2-CD1 4.05Å; I1578-Y1597 HydrophobicContact CG2-CE1 4.42Å; M1593-Y1597 WeakPolarHBondContact O-CB 3.41Å; M1593-Y1597 PolarHBondContact O-N 3.46Å; A1594-Y1597 PolarHBondContact O-N 3.31Å; Y1597-Q1599 PolarHBondContact O-N 2.83Å; Y1597-T1600 PolarHBondContact O-N 3.34Å; Y1597-T1600 PolarHBondContact O-OG1 3.14Å; Y1597-L1601 HydrophobicContact CE1-CD2 4.29Å; Y1597-L1601 HydrophobicContact CE2-CD2 4.46Å |
| 1598 | L | 89.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.8 | -24.9 | 178.1 | -72.4 | -178 | 0 | 0 | 0 | 112.9 | A1594 A1595 T1600 L1601 W1604 I1610 H1613 I1614 F1617 | A1594-L1598 WeakPolarHBondContact O-CB 3.45Å; A1594-L1598 VanDerWaalsContact O-CG 3.31Å; A1594-L1598 WeakPolarHBondContact O-CG 3.42Å; A1594-L1598 PolarHBondContact O-N 2.78Å; A1595-L1598 PolarHBondContact O-N 3.38Å; L1598-T1600 VanDerWaalsContact C-N 3.3Å; L1598-L1601 HydrophobicContact CD2-CD1 3.61Å; L1598-W1604 VanDerWaalsContact O-CB 3.3Å; L1598-W1604 WeakPolarHBondContact O-CB 3.39Å; L1598-I1610 HydrophobicContact CB-CG2 4.07Å; L1598-I1610 HydrophobicContact CD2-CG2 4.29Å; L1598-H1613 HydrophobicContact CD1-CB 3.69Å; L1598-I1614 HydrophobicContact CB-CD1 3.96Å; L1598-I1614 HydrophobicContact CB-CG1 3.49Å; L1598-I1614 VanDerWaalsContact CB-CG1 3.49Å; L1598-I1614 HydrophobicContact CD1-CG1 4.14Å; L1598-I1614 HydrophobicContact CG-CG1 4.49Å; L1598-F1617 HydrophobicContact CD1-CD2 3.95Å; L1598-F1617 HydrophobicContact CD1-CE2 3.82Å |
| 1599 | Q | 86.8 | Confident | 85.2 | Confident | 59 Ų | 59 | 57.1 Ų | 57.1 | 28% | 0.276 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -17.6 | 169.2 | -72.1 | -176.4 | 4.4 | 0 | 0 | 114 | A1595 N1596 Y1597 W1604 I1614 Y1618 F1630 | A1595-Q1599 PolarHBondContact O-N 3.35Å; N1596-Q1599 PolarHBondContact O-N 2.87Å; Y1597-Q1599 PolarHBondContact O-N 2.83Å; Q1599-W1604 PolarHBondContact O-NE1 2.86Å; Q1599-I1614 HydrophobicContact CG-CD1 4.19Å; Q1599-I1614 HydrophobicContact CG-CG2 4.44Å; Q1599-Y1618 PolarHBondContact NE2-OH 3.19Å; Q1599-Y1618 VanDerWaalsContact NE2-OH 3.09Å; Q1599-F1630 HydrophobicContact CG-CD2 3.95Å; Q1599-F1630 HydrophobicContact CG-CE2 4.09Å |
| 1600 | T | 86.2 | Confident | 85.1 | Confident | 96 Ų | 96 | 52.8 Ų | 52.8 | 59% | 0.589 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 0.1 | 179.8 | 63.6 | 0 | 0 | 0 | 0 | 113.9 | Y1597 L1598 | Y1597-T1600 PolarHBondContact O-N 3.34Å; Y1597-T1600 PolarHBondContact O-OG1 3.14Å; L1598-T1600 VanDerWaalsContact C-N 3.3Å |
| 1601 | L | 85 | Confident | 84.9 | Confident | 35 Ų | 35 | 55 Ų | 55 | 18% | 0.183 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -82.4 | 121.6 | 176.1 | -63 | 174.3 | 0 | 0 | 0 | 110 | T1575 Y1597 L1598 D1603 W1604 I1610 | T1575-L1601 HydrophobicContact CG2-CD1 3.7Å; T1575-L1601 HydrophobicContact CG2-CD2 4.02Å; Y1597-L1601 HydrophobicContact CE1-CD2 4.29Å; Y1597-L1601 HydrophobicContact CE2-CD2 4.46Å; L1598-L1601 HydrophobicContact CD2-CD1 3.61Å; L1601-D1603 PolarHBondContact O-N 3.12Å; L1601-W1604 HydrophobicContact CB-CB 4.48Å; L1601-W1604 WeakPolarHBondContact O-CB 3.27Å; L1601-W1604 PolarHBondContact O-N 2.7Å; L1601-I1610 HydrophobicContact CD1-CD1 3.92Å |
| 1602 | N | 75 | Confident | 84.8 | Confident | 140 Ų | 140 | 61.8 Ų | 61.8 | 75% | 0.749 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -29 | -175.9 | -63.9 | 2.8 | 0 | 0 | 0 | 114.8 | H1605 | N1602-H1605 PolarHBondContact O-CE1 2.67Å; N1602-H1605 PolarHBondContact O-NE2 3.25Å; N1602-H1605 VanDerWaalsContact O-NE2 3.15Å |
| 1603 | D | 72.4 | Confident | 84.8 | Confident | 106 Ų | 106 | 61.9 Ų | 61.9 | 57% | 0.567 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 16.3 | -179.7 | -62.7 | -67.1 | 0 | 0 | 0 | 114.3 | L1601 H1605 S1606 N1607 | L1601-D1603 PolarHBondContact O-N 3.12Å; D1603-H1605 VanDerWaalsContact C-N 3.29Å; D1603-H1605 PolarHBondContact O-N 3.34Å; D1603-S1606 WeakPolarHBondContact O-CB 3.44Å; D1603-S1606 PolarHBondContact O-N 3.37Å; D1603-S1606 VanDerWaalsContact O-N 3.09Å; D1603-N1607 PolarHBondContact O-N 3.43Å |
| 1604 | W | 80.4 | Confident | 84.8 | Confident | 28 Ų | 28 | 60.2 Ų | 60.2 | 11% | 0.106 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -36.1 | -174 | 75.9 | -103.8 | 0 | 0 | 0 | 113 | L1598 Q1599 L1601 I1610 I1611 I1614 F1630 | L1598-W1604 VanDerWaalsContact O-CB 3.3Å; L1598-W1604 WeakPolarHBondContact O-CB 3.39Å; Q1599-W1604 PolarHBondContact O-NE1 2.86Å; L1601-W1604 HydrophobicContact CB-CB 4.48Å; L1601-W1604 WeakPolarHBondContact O-CB 3.27Å; L1601-W1604 PolarHBondContact O-N 2.7Å; W1604-I1610 HydrophobicContact CB-CG2 3.92Å; W1604-I1611 HydrophobicContact CE3-CG1 4.31Å; W1604-I1611 VanDerWaalsContact O-CG1 3.23Å; W1604-I1611 WeakPolarHBondContact O-CG1 3.3Å; W1604-I1614 HydrophobicContact CB-CD1 4.5Å; W1604-I1614 HydrophobicContact CE3-CD1 4.4Å; W1604-F1630 AromaticContact CE3-CE2 3.78Å; W1604-F1630 HydrophobicContact CE3-CE2 3.78Å; W1604-F1630 HydrophobicContact CE3-CZ 4.02Å; W1604-F1630 AromaticContact CH2-CE2 3.76Å; W1604-F1630 HydrophobicContact CH2-CE2 3.76Å; W1604-F1630 HydrophobicContact CH2-CZ 4.4Å; W1604-F1630 HydrophobicContact CZ2-CE2 4.48Å; W1604-F1630 HydrophobicContact CZ3-CD2 4.47Å; W1604-F1630 AromaticContact CZ3-CE2 3.36Å; W1604-F1630 HydrophobicContact CZ3-CE2 3.36Å; W1604-F1630 AromaticContact CZ3-CZ 3.63Å; W1604-F1630 HydrophobicContact CZ3-CZ 3.63Å |
| 1605 | H | 75.4 | Confident | 84.7 | Confident | 73 Ų | 73 | 62.5 Ų | 62.5 | 34% | 0.338 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -31.1 | 175.8 | 41.1 | 79 | 0 | 0 | 0 | 112.4 | N1602 D1603 | N1602-H1605 PolarHBondContact O-CE1 2.67Å; N1602-H1605 PolarHBondContact O-NE2 3.25Å; N1602-H1605 VanDerWaalsContact O-NE2 3.15Å; D1603-H1605 VanDerWaalsContact C-N 3.29Å; D1603-H1605 PolarHBondContact O-N 3.34Å |
| 1606 | S | 76 | Confident | 84.7 | Confident | 80 Ų | 80 | 65.7 Ų | 65.7 | 56% | 0.559 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -30.9 | 176.2 | -51.1 | 0 | 0 | 0 | 0 | 112.4 | D1603 | D1603-S1606 WeakPolarHBondContact O-CB 3.44Å; D1603-S1606 PolarHBondContact O-N 3.37Å; D1603-S1606 VanDerWaalsContact O-N 3.09Å |
| 1607 | N | 80.9 | Confident | 84.8 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 35% | 0.353 | 32% | 0.316 | S | S | . | . | trans | -105 | 99.5 | -171.1 | -169.6 | -22.7 | 0 | 0 | 0 | 113.3 | D1603 N1609 I1610 I1611 | D1603-N1607 PolarHBondContact O-N 3.43Å; N1607-N1609 PolarHBondContact O-N 2.93Å; N1607-N1609 WeakPolarHBondContact OD1-CB 3.36Å; N1607-N1609 PolarHBondContact OD1-N 3.35Å; N1607-I1610 HydrophobicContact CB-CB 4.18Å; N1607-I1610 HydrophobicContact CB-CD1 3.85Å; N1607-I1610 HydrophobicContact CB-CG1 3.95Å; N1607-I1610 WeakPolarHBondContact O-CB 3.5Å; N1607-I1610 PolarHBondContact O-N 2.94Å; N1607-I1610 PolarHBondContact OD1-N 2.95Å; N1607-I1611 PolarHBondContact O-N 3.04Å | ||
| 1608 | I | 83.4 | Confident | 84.9 | Confident | 110 Ų | 110 | 61 Ų | 61 | 56% | 0.564 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -50.5 | -32.7 | 177 | -60.1 | 173 | 0 | 0 | 0 | 112.9 | R1612 | I1608-R1612 VanDerWaalsContact O-CG 3.26Å; I1608-R1612 WeakPolarHBondContact O-CG 3.35Å; I1608-R1612 PolarHBondContact O-N 3.24Å; I1608-R1612 VanDerWaalsContact O-N 3.07Å |
| 1609 | N | 85.2 | Confident | 85 | Confident | 91 Ų | 91 | 64 Ų | 64 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -75.1 | -30.6 | 178.6 | -67.2 | -30.8 | 0 | 0 | 0 | 112.5 | N1607 R1612 H1613 | N1607-N1609 PolarHBondContact O-N 2.93Å; N1607-N1609 WeakPolarHBondContact OD1-CB 3.36Å; N1607-N1609 PolarHBondContact OD1-N 3.35Å; N1609-R1612 PolarHBondContact OD1-NH1 3.04Å; N1609-R1612 VanDerWaalsContact OD1-NH1 3.12Å; N1609-H1613 PolarHBondContact O-N 3.19Å; N1609-H1613 VanDerWaalsContact O-N 3.14Å; N1609-H1613 PolarHBondContact O-ND1 3.37Å |
| 1610 | I | 86.8 | Confident | 85.1 | Confident | 23 Ų | 23 | 66.2 Ų | 66.2 | 12% | 0.118 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.8 | -46.8 | 172.6 | -65.6 | 177.8 | 0 | 0 | 0 | 109.7 | L1598 L1601 W1604 N1607 R1612 H1613 I1614 | L1598-I1610 HydrophobicContact CB-CG2 4.07Å; L1598-I1610 HydrophobicContact CD2-CG2 4.29Å; L1601-I1610 HydrophobicContact CD1-CD1 3.92Å; W1604-I1610 HydrophobicContact CB-CG2 3.92Å; N1607-I1610 HydrophobicContact CB-CB 4.18Å; N1607-I1610 HydrophobicContact CB-CD1 3.85Å; N1607-I1610 HydrophobicContact CB-CG1 3.95Å; N1607-I1610 WeakPolarHBondContact O-CB 3.5Å; N1607-I1610 PolarHBondContact O-N 2.94Å; N1607-I1610 PolarHBondContact OD1-N 2.95Å; I1610-R1612 VanDerWaalsContact C-N 3.28Å; I1610-R1612 PolarHBondContact O-N 3.45Å; I1610-H1613 PolarHBondContact O-N 3.12Å; I1610-I1614 HydrophobicContact CG2-CD1 3.86Å; I1610-I1614 HydrophobicContact CG2-CG1 4.31Å; I1610-I1614 WeakPolarHBondContact O-CG1 3.35Å; I1610-I1614 PolarHBondContact O-N 2.85Å |
| 1611 | I | 85.8 | Confident | 85.1 | Confident | 46 Ų | 46 | 61.8 Ų | 61.8 | 24% | 0.236 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -54.3 | -44.9 | 175.2 | -58.3 | 175.6 | 0 | 0 | 0 | 111.2 | W1604 N1607 H1613 I1614 I1615 F1630 | W1604-I1611 HydrophobicContact CE3-CG1 4.31Å; W1604-I1611 VanDerWaalsContact O-CG1 3.23Å; W1604-I1611 WeakPolarHBondContact O-CG1 3.3Å; N1607-I1611 PolarHBondContact O-N 3.04Å; I1611-H1613 PolarHBondContact O-N 3.01Å; I1611-I1614 PolarHBondContact O-N 3.33Å; I1611-I1615 HydrophobicContact CG2-CD1 3.93Å; I1611-I1615 WeakPolarHBondContact O-CG1 3.23Å; I1611-I1615 PolarHBondContact O-N 3.22Å; I1611-F1630 HydrophobicContact CG2-CE1 4.34Å; I1611-F1630 HydrophobicContact CG2-CZ 4.31Å |
| 1612 | R | 89 | Confident | 85.1 | Confident | 158 Ų | 158 | 66 Ų | 66 | 60% | 0.596 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -59.7 | -43.4 | 175.4 | -75.8 | 167.3 | 175.7 | 165.8 | -3.1 | 112.5 | I1608 N1609 I1610 Q1616 | I1608-R1612 VanDerWaalsContact O-CG 3.26Å; I1608-R1612 WeakPolarHBondContact O-CG 3.35Å; I1608-R1612 PolarHBondContact O-N 3.24Å; I1608-R1612 VanDerWaalsContact O-N 3.07Å; N1609-R1612 PolarHBondContact OD1-NH1 3.04Å; N1609-R1612 VanDerWaalsContact OD1-NH1 3.12Å; I1610-R1612 VanDerWaalsContact C-N 3.28Å; I1610-R1612 PolarHBondContact O-N 3.45Å; R1612-Q1616 VanDerWaalsContact O-CB 3.22Å; R1612-Q1616 WeakPolarHBondContact O-CB 3.3Å; R1612-Q1616 PolarHBondContact O-N 2.7Å |
| 1613 | H | 90.8 | Very high | 85.6 | Confident | 50 Ų | 50 | 60 Ų | 60 | 23% | 0.231 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68 | -40.1 | 176.8 | -75.2 | 98.3 | 0 | 0 | 0 | 112.4 | L1598 N1609 I1610 I1611 I1615 Q1616 F1617 | L1598-H1613 HydrophobicContact CD1-CB 3.69Å; N1609-H1613 PolarHBondContact O-N 3.19Å; N1609-H1613 VanDerWaalsContact O-N 3.14Å; N1609-H1613 PolarHBondContact O-ND1 3.37Å; I1610-H1613 PolarHBondContact O-N 3.12Å; I1611-H1613 PolarHBondContact O-N 3.01Å; H1613-I1615 PolarHBondContact O-N 3.18Å; H1613-Q1616 PolarHBondContact O-N 3.48Å; H1613-F1617 HydrophobicContact CB-CD2 4.49Å; H1613-F1617 HydrophobicContact CB-CE2 4.19Å; H1613-F1617 HydrophobicContact CB-CZ 4.38Å; H1613-F1617 AromaticContact CD2-CZ 3.91Å; H1613-F1617 VanDerWaalsContact O-CB 3.25Å; H1613-F1617 WeakPolarHBondContact O-CB 3.38Å; H1613-F1617 WeakPolarHBondContact O-CD2 3.39Å; H1613-F1617 WeakPolarHBondContact O-CG 2.99Å; H1613-F1617 PolarHBondContact O-N 2.76Å |
| 1614 | I | 89.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.3 | -49.9 | 174.7 | -66.4 | 166.1 | 0 | 0 | 0 | 110.5 | L1598 Q1599 W1604 I1610 I1611 F1617 Y1618 F1630 | L1598-I1614 HydrophobicContact CB-CD1 3.96Å; L1598-I1614 HydrophobicContact CB-CG1 3.49Å; L1598-I1614 VanDerWaalsContact CB-CG1 3.49Å; L1598-I1614 HydrophobicContact CD1-CG1 4.14Å; L1598-I1614 HydrophobicContact CG-CG1 4.49Å; Q1599-I1614 HydrophobicContact CG-CD1 4.19Å; Q1599-I1614 HydrophobicContact CG-CG2 4.44Å; W1604-I1614 HydrophobicContact CB-CD1 4.5Å; W1604-I1614 HydrophobicContact CE3-CD1 4.4Å; I1610-I1614 HydrophobicContact CG2-CD1 3.86Å; I1610-I1614 HydrophobicContact CG2-CG1 4.31Å; I1610-I1614 WeakPolarHBondContact O-CG1 3.35Å; I1610-I1614 PolarHBondContact O-N 2.85Å; I1611-I1614 PolarHBondContact O-N 3.33Å; I1614-F1617 PolarHBondContact O-N 2.84Å; I1614-Y1618 HydrophobicContact CG2-CD2 3.69Å; I1614-Y1618 HydrophobicContact CG2-CE2 3.49Å; I1614-Y1618 VanDerWaalsContact CG2-CE2 3.49Å; I1614-Y1618 WeakPolarHBondContact O-CD2 3.34Å; I1614-Y1618 PolarHBondContact O-N 3.38Å; I1614-F1630 HydrophobicContact CB-CE1 4.2Å; I1614-F1630 HydrophobicContact CB-CZ 4.08Å; I1614-F1630 HydrophobicContact CD1-CE2 3.91Å; I1614-F1630 HydrophobicContact CD1-CZ 3.86Å; I1614-F1630 HydrophobicContact CG2-CD1 3.8Å; I1614-F1630 HydrophobicContact CG2-CD2 4Å; I1614-F1630 HydrophobicContact CG2-CE1 3.66Å; I1614-F1630 HydrophobicContact CG2-CE2 3.85Å; I1614-F1630 HydrophobicContact CG2-CG 3.96Å; I1614-F1630 HydrophobicContact CG2-CZ 3.67Å |
| 1615 | I | 88.9 | Confident | 86.4 | Confident | 48 Ų | 48 | 59.9 Ų | 59.9 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 178 | -64.5 | 168.4 | 0 | 0 | 0 | 110.8 | I1611 H1613 F1617 T1619 L1627 F1630 | I1611-I1615 HydrophobicContact CG2-CD1 3.93Å; I1611-I1615 WeakPolarHBondContact O-CG1 3.23Å; I1611-I1615 PolarHBondContact O-N 3.22Å; H1613-I1615 PolarHBondContact O-N 3.18Å; I1615-F1617 VanDerWaalsContact C-N 3.31Å; I1615-F1617 PolarHBondContact O-N 3.39Å; I1615-T1619 HydrophobicContact CG2-CG2 4.47Å; I1615-T1619 WeakPolarHBondContact O-CB 3.26Å; I1615-T1619 VanDerWaalsContact O-CG2 3.3Å; I1615-T1619 WeakPolarHBondContact O-CG2 3.31Å; I1615-T1619 PolarHBondContact O-N 2.74Å; I1615-T1619 PolarHBondContact O-OG1 2.64Å; I1615-L1627 HydrophobicContact CG1-CD1 4.36Å; I1615-L1627 HydrophobicContact CG2-CD1 4.43Å; I1615-F1630 HydrophobicContact CD1-CE1 4.47Å; I1615-F1630 HydrophobicContact CG1-CD1 4.35Å; I1615-F1630 HydrophobicContact CG1-CE1 3.94Å |
| 1616 | Q | 90.6 | Very high | 86.9 | Confident | 68 Ų | 68 | 58.3 Ų | 58.3 | 32% | 0.318 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 177.7 | -174.5 | -175.1 | 35.3 | 0 | 0 | 112.4 | R1612 H1613 T1619 R1620 | R1612-Q1616 VanDerWaalsContact O-CB 3.22Å; R1612-Q1616 WeakPolarHBondContact O-CB 3.3Å; R1612-Q1616 PolarHBondContact O-N 2.7Å; H1613-Q1616 PolarHBondContact O-N 3.48Å; Q1616-T1619 WeakPolarHBondContact CA-OG1 3.29Å; Q1616-T1619 PolarHBondContact O-OG1 3.49Å; Q1616-T1619 VanDerWaalsContact O-OG1 3.1Å; Q1616-R1620 WeakPolarHBondContact O-CB 3.25Å; Q1616-R1620 VanDerWaalsContact O-CG 3.25Å; Q1616-R1620 WeakPolarHBondContact O-CG 3.27Å; Q1616-R1620 PolarHBondContact O-N 2.8Å; Q1616-R1620 VanDerWaalsContact O-N 3.1Å |
| 1617 | F | 92.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -77.5 | -47.4 | -178.5 | -67.9 | -13.5 | 0 | 0 | 0 | 111.5 | I1579 T1582 Y1591 A1594 A1595 L1598 H1613 I1614 I1615 T1619 R1620 G1621 | I1579-F1617 HydrophobicContact CB-CZ 4.34Å; I1579-F1617 HydrophobicContact CG1-CE2 4.09Å; I1579-F1617 HydrophobicContact CG1-CZ 4.08Å; I1579-F1617 HydrophobicContact CG2-CZ 4.23Å; T1582-F1617 HydrophobicContact CG2-CD1 3.85Å; T1582-F1617 HydrophobicContact CG2-CD2 4.05Å; T1582-F1617 HydrophobicContact CG2-CE1 3.64Å; T1582-F1617 HydrophobicContact CG2-CE2 3.84Å; T1582-F1617 HydrophobicContact CG2-CG 4.05Å; T1582-F1617 HydrophobicContact CG2-CZ 3.63Å; Y1591-F1617 WeakPolarHBondContact CB-O 3.42Å; Y1591-F1617 HydrophobicContact CD1-CB 4.32Å; Y1591-F1617 AromaticContact CD1-CD1 3.76Å; Y1591-F1617 HydrophobicContact CD1-CD1 3.76Å; Y1591-F1617 HydrophobicContact CD1-CE1 4.41Å; Y1591-F1617 HydrophobicContact CD1-CG 4.21Å; Y1591-F1617 HydrophobicContact CE1-CD1 4.14Å; Y1591-F1617 HydrophobicContact CE1-CE1 4.46Å; A1594-F1617 HydrophobicContact CB-CD2 3.52Å; A1594-F1617 HydrophobicContact CB-CE2 3.75Å; A1594-F1617 HydrophobicContact CB-CG 4.36Å; A1595-F1617 HydrophobicContact CB-CB 3.87Å; L1598-F1617 HydrophobicContact CD1-CD2 3.95Å; L1598-F1617 HydrophobicContact CD1-CE2 3.82Å; H1613-F1617 HydrophobicContact CB-CD2 4.49Å; H1613-F1617 HydrophobicContact CB-CE2 4.19Å; H1613-F1617 HydrophobicContact CB-CZ 4.38Å; H1613-F1617 AromaticContact CD2-CZ 3.91Å; H1613-F1617 VanDerWaalsContact O-CB 3.25Å; H1613-F1617 WeakPolarHBondContact O-CB 3.38Å; H1613-F1617 WeakPolarHBondContact O-CD2 3.39Å; H1613-F1617 WeakPolarHBondContact O-CG 2.99Å; H1613-F1617 PolarHBondContact O-N 2.76Å; I1614-F1617 PolarHBondContact O-N 2.84Å; I1615-F1617 VanDerWaalsContact C-N 3.31Å; I1615-F1617 PolarHBondContact O-N 3.39Å; F1617-T1619 VanDerWaalsContact C-N 3.32Å; F1617-T1619 PolarHBondContact O-N 3.29Å; F1617-R1620 PolarHBondContact O-N 2.99Å; F1617-G1621 PolarHBondContact O-N 2.86Å |
| 1618 | Y | 92.9 | Very high | 87.9 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.4 | -37.1 | 174.5 | -71.7 | -51.2 | 0 | 0 | 0 | 113.3 | A1595 N1596 Q1599 I1614 G1621 Q1622 A1623 S1626 L1627 F1630 | A1595-Y1618 HydrophobicContact CB-CD1 3.58Å; A1595-Y1618 HydrophobicContact CB-CD2 3.85Å; A1595-Y1618 HydrophobicContact CB-CE1 3.37Å; A1595-Y1618 HydrophobicContact CB-CE2 3.65Å; A1595-Y1618 HydrophobicContact CB-CG 3.81Å; A1595-Y1618 VanDerWaalsContact CB-CZ 3.4Å; N1596-Y1618 PolarHBondContact N-OH 2.98Å; N1596-Y1618 WeakPolarHBondContact OD1-CE1 3.49Å; N1596-Y1618 PolarHBondContact OD1-OH 2.88Å; Q1599-Y1618 PolarHBondContact NE2-OH 3.19Å; Q1599-Y1618 VanDerWaalsContact NE2-OH 3.09Å; I1614-Y1618 HydrophobicContact CG2-CD2 3.69Å; I1614-Y1618 HydrophobicContact CG2-CE2 3.49Å; I1614-Y1618 VanDerWaalsContact CG2-CE2 3.49Å; I1614-Y1618 WeakPolarHBondContact O-CD2 3.34Å; I1614-Y1618 PolarHBondContact O-N 3.38Å; Y1618-G1621 PolarHBondContact O-N 2.83Å; Y1618-Q1622 PolarHBondContact O-N 3.39Å; Y1618-A1623 HydrophobicContact CD1-CB 4.05Å; Y1618-A1623 PolarHBondContact O-N 2.79Å; Y1618-A1623 VanDerWaalsContact O-N 3.13Å; Y1618-S1626 VanDerWaalsContact CE1-CB 3.42Å; Y1618-L1627 HydrophobicContact CD2-CD1 4.47Å; Y1618-F1630 HydrophobicContact CE2-CB 4.19Å; Y1618-F1630 HydrophobicContact CE2-CG 4.49Å |
| 1619 | T | 90.1 | Very high | 88.1 | Confident | 65 Ų | 65 | 48 Ų | 48 | 40% | 0.399 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.5 | -40.5 | 175.9 | 50.7 | 0 | 0 | 0 | 0 | 112.5 | I1615 Q1616 F1617 Q1622 L1627 | I1615-T1619 HydrophobicContact CG2-CG2 4.47Å; I1615-T1619 WeakPolarHBondContact O-CB 3.26Å; I1615-T1619 VanDerWaalsContact O-CG2 3.3Å; I1615-T1619 WeakPolarHBondContact O-CG2 3.31Å; I1615-T1619 PolarHBondContact O-N 2.74Å; I1615-T1619 PolarHBondContact O-OG1 2.64Å; Q1616-T1619 WeakPolarHBondContact CA-OG1 3.29Å; Q1616-T1619 PolarHBondContact O-OG1 3.49Å; Q1616-T1619 VanDerWaalsContact O-OG1 3.1Å; F1617-T1619 VanDerWaalsContact C-N 3.32Å; F1617-T1619 PolarHBondContact O-N 3.29Å; T1619-Q1622 PolarHBondContact O-N 2.79Å; T1619-L1627 HydrophobicContact CG2-CD2 3.71Å |
| 1620 | R | 89.3 | Confident | 88.3 | Confident | 105 Ų | 105 | 43.8 Ų | 43.8 | 40% | 0.396 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -69.7 | -37 | 173.2 | -76.2 | 176.7 | 172.4 | 176.9 | -3.9 | 113.4 | N1583 Y1591 Q1616 F1617 Q1622 | N1583-R1620 PolarHBondContact OD1-NH1 2.89Å; Y1591-R1620 HydrophobicContact CD1-CB 4.08Å; Y1591-R1620 HydrophobicContact CD2-CB 3.79Å; Y1591-R1620 HydrophobicContact CE1-CB 4.16Å; Y1591-R1620 HydrophobicContact CE2-CB 3.82Å; Y1591-R1620 HydrophobicContact CG-CB 3.96Å; Q1616-R1620 WeakPolarHBondContact O-CB 3.25Å; Q1616-R1620 VanDerWaalsContact O-CG 3.25Å; Q1616-R1620 WeakPolarHBondContact O-CG 3.27Å; Q1616-R1620 PolarHBondContact O-N 2.8Å; Q1616-R1620 VanDerWaalsContact O-N 3.1Å; F1617-R1620 PolarHBondContact O-N 2.99Å; R1620-Q1622 PolarHBondContact O-N 2.87Å |
| 1621 | G | 85.9 | Confident | 88.5 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.8 | -9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1617 Y1618 A1623 | F1617-G1621 PolarHBondContact O-N 2.86Å; Y1618-G1621 PolarHBondContact O-N 2.83Å; G1621-A1623 PolarHBondContact O-N 2.84Å |
| 1622 | Q | 85.5 | Confident | 88.5 | Confident | 122 Ų | 122 | 43.8 Ų | 43.8 | 57% | 0.57 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 15.8 | -173.7 | -57.8 | -176.3 | -44.6 | 0 | 0 | 114.6 | K1588 Y1618 T1619 R1620 M1624 | K1588-Q1622 VanDerWaalsContact CE-OE1 3.3Å; Y1618-Q1622 PolarHBondContact O-N 3.39Å; T1619-Q1622 PolarHBondContact O-N 2.79Å; R1620-Q1622 PolarHBondContact O-N 2.87Å; Q1622-M1624 PolarHBondContact O-N 2.8Å |
| 1623 | A | 85.5 | Confident | 88.4 | Confident | 15 Ų | 15 | 37.8 Ų | 37.8 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | trans | -80.1 | 65.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1592 Y1618 G1621 E1625 S1626 L1627 | I1592-A1623 HydrophobicContact CD1-CB 3.82Å; I1592-A1623 HydrophobicContact CG1-CB 3.65Å; Y1618-A1623 HydrophobicContact CD1-CB 4.05Å; Y1618-A1623 PolarHBondContact O-N 2.79Å; Y1618-A1623 VanDerWaalsContact O-N 3.13Å; G1621-A1623 PolarHBondContact O-N 2.84Å; A1623-E1625 VanDerWaalsContact C-N 3.27Å; A1623-E1625 PolarHBondContact O-N 3.01Å; A1623-S1626 WeakPolarHBondContact O-CB 3.47Å; A1623-S1626 PolarHBondContact O-N 3.35Å; A1623-S1626 VanDerWaalsContact O-N 3.11Å; A1623-L1627 PolarHBondContact O-N 2.96Å | ||
| 1624 | M | 84.7 | Confident | 88.2 | Confident | 60 Ų | 60 | 36.7 Ų | 36.7 | 30% | 0.296 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.6 | -31.8 | -177.4 | -66.2 | -69.5 | -160.7 | 0 | 0 | 112.6 | Q1622 L1627 A1628 V1658 L1662 | Q1622-M1624 PolarHBondContact O-N 2.8Å; M1624-L1627 PolarHBondContact O-N 3.01Å; M1624-L1627 HydrophobicContact SD-CD2 4.32Å; M1624-A1628 WeakPolarHBondContact O-CB 3.44Å; M1624-A1628 PolarHBondContact O-N 2.64Å; M1624-V1658 HydrophobicContact CB-CG1 3.92Å; M1624-V1658 WeakPolarHBondContact O-CG1 3.38Å; M1624-V1658 HydrophobicContact SD-CG1 4.05Å; M1624-L1662 HydrophobicContact CB-CD1 3.43Å; M1624-L1662 VanDerWaalsContact CB-CD1 3.43Å; M1624-L1662 HydrophobicContact CB-CD2 3.97Å; M1624-L1662 HydrophobicContact CB-CG 3.49Å; M1624-L1662 VanDerWaalsContact CB-CG 3.49Å; M1624-L1662 HydrophobicContact CG-CG 4.19Å |
| 1625 | E | 84.4 | Confident | 88 | Confident | 71 Ų | 71 | 36.8 Ų | 36.8 | 33% | 0.332 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68.9 | -38.1 | 173.9 | -66.4 | -158.8 | 161.2 | 0 | 0 | 112.3 | A1623 A1628 A1629 L1662 L1679 | A1623-E1625 VanDerWaalsContact C-N 3.27Å; A1623-E1625 PolarHBondContact O-N 3.01Å; E1625-A1628 PolarHBondContact O-N 3Å; E1625-A1629 WeakPolarHBondContact O-CB 3.33Å; E1625-A1629 PolarHBondContact O-N 2.96Å; E1625-L1662 HydrophobicContact CG-CD1 3.77Å; E1625-L1679 HydrophobicContact CG-CD2 4.47Å; E1625-L1679 WeakPolarHBondContact OE1-CD2 3.44Å |
| 1626 | S | 87.4 | Confident | 87.8 | Confident | 41 Ų | 41 | 39.4 Ų | 39.4 | 29% | 0.287 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.3 | -35 | 173.5 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | Y1618 A1623 A1629 F1630 | Y1618-S1626 VanDerWaalsContact CE1-CB 3.42Å; A1623-S1626 WeakPolarHBondContact O-CB 3.47Å; A1623-S1626 PolarHBondContact O-N 3.35Å; A1623-S1626 VanDerWaalsContact O-N 3.11Å; S1626-A1629 PolarHBondContact O-N 3.46Å; S1626-F1630 WeakPolarHBondContact O-CB 3.35Å; S1626-F1630 PolarHBondContact O-N 3.23Å |
| 1627 | L | 89.1 | Confident | 87.5 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.3 | -41.9 | 172.1 | -177.4 | 63 | 0 | 0 | 0 | 111.9 | I1615 Y1618 T1619 A1623 M1624 F1630 Y1631 V1658 | I1615-L1627 HydrophobicContact CG1-CD1 4.36Å; I1615-L1627 HydrophobicContact CG2-CD1 4.43Å; Y1618-L1627 HydrophobicContact CD2-CD1 4.47Å; T1619-L1627 HydrophobicContact CG2-CD2 3.71Å; A1623-L1627 PolarHBondContact O-N 2.96Å; M1624-L1627 PolarHBondContact O-N 3.01Å; M1624-L1627 HydrophobicContact SD-CD2 4.32Å; L1627-F1630 WeakPolarHBondContact O-CB 3.27Å; L1627-F1630 PolarHBondContact O-N 3.11Å; L1627-Y1631 HydrophobicContact CD1-CD2 4.28Å; L1627-Y1631 HydrophobicContact CD1-CE2 3.71Å; L1627-Y1631 HydrophobicContact CD2-CE2 4.29Å; L1627-Y1631 HydrophobicContact CG-CD2 4.11Å; L1627-Y1631 HydrophobicContact CG-CE2 3.7Å; L1627-Y1631 WeakPolarHBondContact O-CD2 3.31Å; L1627-Y1631 PolarHBondContact O-N 2.79Å; L1627-V1658 HydrophobicContact CB-CG1 4.37Å; L1627-V1658 HydrophobicContact CD2-CG1 4.22Å; L1627-V1658 HydrophobicContact CD2-CG2 3.93Å; L1627-V1658 HydrophobicContact CG-CG1 4.41Å; L1627-V1658 HydrophobicContact CG-CG2 4.23Å |
| 1628 | A | 87.7 | Confident | 87 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.6 | -40.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | M1624 E1625 F1630 Y1631 E1632 V1658 L1659 | M1624-A1628 WeakPolarHBondContact O-CB 3.44Å; M1624-A1628 PolarHBondContact O-N 2.64Å; E1625-A1628 PolarHBondContact O-N 3Å; A1628-F1630 VanDerWaalsContact C-N 3.35Å; A1628-Y1631 PolarHBondContact O-N 2.93Å; A1628-E1632 PolarHBondContact O-N 3.07Å; A1628-V1658 HydrophobicContact CB-CB 4.37Å; A1628-V1658 HydrophobicContact CB-CG1 4.14Å; A1628-L1659 HydrophobicContact CB-CD2 3.62Å; A1628-L1659 HydrophobicContact CB-CG 3.86Å |
| 1629 | A | 86.9 | Confident | 86.5 | Confident | 35 Ų | 35 | 40.9 Ų | 40.9 | 29% | 0.289 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.4 | -37.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1625 S1626 E1632 A1633 | E1625-A1629 WeakPolarHBondContact O-CB 3.33Å; E1625-A1629 PolarHBondContact O-N 2.96Å; S1626-A1629 PolarHBondContact O-N 3.46Å; A1629-E1632 PolarHBondContact O-N 3.45Å; A1629-A1633 WeakPolarHBondContact O-CB 3.24Å; A1629-A1633 PolarHBondContact O-N 2.92Å |
| 1630 | F | 90.1 | Very high | 85.9 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | 173.3 | -179.9 | -121.2 | 0 | 0 | 0 | 111.5 | Q1599 W1604 I1611 I1614 I1615 Y1618 S1626 L1627 A1628 A1633 C1634 | Q1599-F1630 HydrophobicContact CG-CD2 3.95Å; Q1599-F1630 HydrophobicContact CG-CE2 4.09Å; W1604-F1630 AromaticContact CE3-CE2 3.78Å; W1604-F1630 HydrophobicContact CE3-CE2 3.78Å; W1604-F1630 HydrophobicContact CE3-CZ 4.02Å; W1604-F1630 AromaticContact CH2-CE2 3.76Å; W1604-F1630 HydrophobicContact CH2-CE2 3.76Å; W1604-F1630 HydrophobicContact CH2-CZ 4.4Å; W1604-F1630 HydrophobicContact CZ2-CE2 4.48Å; W1604-F1630 HydrophobicContact CZ3-CD2 4.47Å; W1604-F1630 AromaticContact CZ3-CE2 3.36Å; W1604-F1630 HydrophobicContact CZ3-CE2 3.36Å; W1604-F1630 AromaticContact CZ3-CZ 3.63Å; W1604-F1630 HydrophobicContact CZ3-CZ 3.63Å; I1611-F1630 HydrophobicContact CG2-CE1 4.34Å; I1611-F1630 HydrophobicContact CG2-CZ 4.31Å; I1614-F1630 HydrophobicContact CB-CE1 4.2Å; I1614-F1630 HydrophobicContact CB-CZ 4.08Å; I1614-F1630 HydrophobicContact CD1-CE2 3.91Å; I1614-F1630 HydrophobicContact CD1-CZ 3.86Å; I1614-F1630 HydrophobicContact CG2-CD1 3.8Å; I1614-F1630 HydrophobicContact CG2-CD2 4Å; I1614-F1630 HydrophobicContact CG2-CE1 3.66Å; I1614-F1630 HydrophobicContact CG2-CE2 3.85Å; I1614-F1630 HydrophobicContact CG2-CG 3.96Å; I1614-F1630 HydrophobicContact CG2-CZ 3.67Å; I1615-F1630 HydrophobicContact CD1-CE1 4.47Å; I1615-F1630 HydrophobicContact CG1-CD1 4.35Å; I1615-F1630 HydrophobicContact CG1-CE1 3.94Å; Y1618-F1630 HydrophobicContact CE2-CB 4.19Å; Y1618-F1630 HydrophobicContact CE2-CG 4.49Å; S1626-F1630 WeakPolarHBondContact O-CB 3.35Å; S1626-F1630 PolarHBondContact O-N 3.23Å; L1627-F1630 WeakPolarHBondContact O-CB 3.27Å; L1627-F1630 PolarHBondContact O-N 3.11Å; A1628-F1630 VanDerWaalsContact C-N 3.35Å; F1630-A1633 CarbonylContact O-C 2.93Å; F1630-A1633 WeakPolarHBondContact O-CB 3.32Å; F1630-A1633 PolarHBondContact O-N 3.06Å; F1630-A1633 VanDerWaalsContact O-N 3.13Å; F1630-C1634 PolarHBondContact O-N 3.4Å; F1630-C1634 PolarHBondContact O-SG 2.88Å |
| 1631 | Y | 90.7 | Very high | 85.2 | Confident | 40 Ų | 40 | 43.3 Ų | 43.3 | 16% | 0.157 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66 | -34.7 | 173.4 | -72.7 | -56 | 0 | 0 | 0 | 112.9 | L1627 A1628 A1633 A1635 E1654 V1658 | L1627-Y1631 HydrophobicContact CD1-CD2 4.28Å; L1627-Y1631 HydrophobicContact CD1-CE2 3.71Å; L1627-Y1631 HydrophobicContact CD2-CE2 4.29Å; L1627-Y1631 HydrophobicContact CG-CD2 4.11Å; L1627-Y1631 HydrophobicContact CG-CE2 3.7Å; L1627-Y1631 WeakPolarHBondContact O-CD2 3.31Å; L1627-Y1631 PolarHBondContact O-N 2.79Å; A1628-Y1631 PolarHBondContact O-N 2.93Å; Y1631-A1633 VanDerWaalsContact C-N 3.33Å; Y1631-A1635 WeakPolarHBondContact O-CB 3.26Å; Y1631-A1635 PolarHBondContact O-N 3.15Å; Y1631-E1654 HydrophobicContact CD1-CB 3.96Å; Y1631-E1654 HydrophobicContact CD2-CB 3.99Å; Y1631-E1654 HydrophobicContact CE1-CB 3.97Å; Y1631-E1654 HydrophobicContact CE1-CG 4.5Å; Y1631-E1654 HydrophobicContact CE2-CB 3.99Å; Y1631-E1654 HydrophobicContact CG-CB 3.99Å; Y1631-V1658 HydrophobicContact CD2-CG2 4.19Å; Y1631-V1658 HydrophobicContact CE2-CG2 3.95Å |
| 1632 | E | 87.4 | Confident | 84.4 | Confident | 28 Ų | 28 | 46 Ų | 46 | 13% | 0.131 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.6 | -36.4 | 168.7 | -71.2 | -171.2 | 90.8 | 0 | 0 | 112.1 | A1628 A1629 A1635 H1636 L1652 A1655 R1682 I1686 K1689 | A1628-E1632 PolarHBondContact O-N 3.07Å; A1629-E1632 PolarHBondContact O-N 3.45Å; E1632-A1635 PolarHBondContact O-N 2.92Å; E1632-H1636 WeakPolarHBondContact O-CB 3.47Å; E1632-H1636 PolarHBondContact O-N 3.47Å; E1632-L1652 HydrophobicContact CG-CD2 4.43Å; E1632-A1655 HydrophobicContact CG-CB 4.22Å; E1632-R1682 IonicContact OE2-CZ 2.66Å; E1632-R1682 IonicContact OE2-NE 3.49Å; E1632-R1682 PolarHBondContact OE2-NE 2.71Å; E1632-R1682 VanDerWaalsContact OE2-NE 3.08Å; E1632-R1682 IonicContact OE2-NH2 3.75Å; E1632-R1682 PolarHBondContact OE2-NH2 3.21Å; E1632-I1686 HydrophobicContact CG-CD1 3.77Å; E1632-I1686 HydrophobicContact CG-CG1 4.27Å; E1632-K1689 IonicContact OE1-NZ 3.38Å; E1632-K1689 PolarHBondContact OE1-NZ 3.44Å |
| 1633 | A | 85.7 | Confident | 83.8 | Confident | 33 Ų | 33 | 42.2 Ų | 42.2 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -71.6 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1629 F1630 Y1631 A1635 H1636 N1637 | A1629-A1633 WeakPolarHBondContact O-CB 3.24Å; A1629-A1633 PolarHBondContact O-N 2.92Å; F1630-A1633 CarbonylContact O-C 2.93Å; F1630-A1633 WeakPolarHBondContact O-CB 3.32Å; F1630-A1633 PolarHBondContact O-N 3.06Å; F1630-A1633 VanDerWaalsContact O-N 3.13Å; Y1631-A1633 VanDerWaalsContact C-N 3.33Å; A1633-A1635 VanDerWaalsContact C-N 3.26Å; A1633-A1635 PolarHBondContact O-N 3.11Å; A1633-H1636 WeakPolarHBondContact O-CA 3.17Å; A1633-H1636 WeakPolarHBondContact O-CB 3.4Å; A1633-H1636 PolarHBondContact O-N 2.99Å; A1633-N1637 PolarHBondContact O-N 2.77Å; A1633-N1637 PolarHBondContact O-OD1 3.09Å |
| 1634 | C | 86.2 | Confident | 83.7 | Confident | 26 Ų | 26 | 44.1 Ų | 44.1 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.1 | -39.6 | 170.6 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | F1630 H1636 E1638 A1651 | F1630-C1634 PolarHBondContact O-N 3.4Å; F1630-C1634 PolarHBondContact O-SG 2.88Å; C1634-H1636 VanDerWaalsContact C-N 3.34Å; C1634-E1638 WeakPolarHBondContact O-CG 3.49Å; C1634-E1638 PolarHBondContact O-N 3Å; C1634-A1651 HydrophobicContact CB-CB 4.31Å |
| 1635 | A | 86.8 | Confident | 83.7 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.6 | -35.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1631 E1632 A1633 I1639 A1648 A1651 L1652 | Y1631-A1635 WeakPolarHBondContact O-CB 3.26Å; Y1631-A1635 PolarHBondContact O-N 3.15Å; E1632-A1635 PolarHBondContact O-N 2.92Å; A1633-A1635 VanDerWaalsContact C-N 3.26Å; A1633-A1635 PolarHBondContact O-N 3.11Å; A1635-I1639 WeakPolarHBondContact O-CG1 3.1Å; A1635-I1639 PolarHBondContact O-N 3.34Å; A1635-A1648 HydrophobicContact CB-CB 4.11Å; A1635-A1648 WeakPolarHBondContact CB-O 3.37Å; A1635-A1648 WeakPolarHBondContact O-CB 3.46Å; A1635-A1651 HydrophobicContact CB-CB 3.91Å; A1635-L1652 HydrophobicContact CB-CD2 4.17Å; A1635-L1652 HydrophobicContact CB-CG 3.8Å |
| 1636 | H | 84.6 | Confident | 83.8 | Confident | 102 Ų | 102 | 43.5 Ų | 43.5 | 47% | 0.472 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.1 | -48.1 | 177.7 | -170.4 | 37.6 | 0 | 0 | 0 | 112 | E1632 A1633 C1634 E1638 I1639 E1640 | E1632-H1636 WeakPolarHBondContact O-CB 3.47Å; E1632-H1636 PolarHBondContact O-N 3.47Å; A1633-H1636 WeakPolarHBondContact O-CA 3.17Å; A1633-H1636 WeakPolarHBondContact O-CB 3.4Å; A1633-H1636 PolarHBondContact O-N 2.99Å; C1634-H1636 VanDerWaalsContact C-N 3.34Å; H1636-E1638 PolarHBondContact O-N 3.45Å; H1636-I1639 CarbonylContact O-C 3.52Å; H1636-I1639 WeakPolarHBondContact O-CA 3.43Å; H1636-I1639 PolarHBondContact O-N 3.38Å; H1636-E1640 VanDerWaalsContact CE1-CD 3.44Å; H1636-E1640 VanDerWaalsContact CE1-CG 3.41Å; H1636-E1640 WeakPolarHBondContact CE1-CG 3.43Å; H1636-E1640 IonicContact CE1-OE1 2.7Å; H1636-E1640 PolarHBondContact CE1-OE1 2.83Å; H1636-E1640 VanDerWaalsContact CE1-OE1 3.28Å; H1636-E1640 IonicContact NE2-OE1 3.64Å; H1636-E1640 WeakPolarHBondContact O-CB 3.29Å; H1636-E1640 VanDerWaalsContact O-CG 3.23Å; H1636-E1640 WeakPolarHBondContact O-CG 3.48Å; H1636-E1640 PolarHBondContact O-N 2.91Å |
| 1637 | N | 83.1 | Confident | 83.7 | Confident | 38 Ų | 38 | 46.2 Ų | 46.2 | 20% | 0.203 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.2 | -44.2 | 175.2 | -86.5 | 69.7 | 0 | 0 | 0 | 112.3 | A1633 I1639 E1640 E1641 | A1633-N1637 PolarHBondContact O-N 2.77Å; A1633-N1637 PolarHBondContact O-OD1 3.09Å; N1637-I1639 PolarHBondContact O-N 3.1Å; N1637-E1640 PolarHBondContact O-N 3.12Å; N1637-E1641 PolarHBondContact ND2-OE2 2.83Å; N1637-E1641 WeakPolarHBondContact O-CB 3.36Å; N1637-E1641 PolarHBondContact O-N 3.28Å |
| 1638 | E | 82.5 | Confident | 83.6 | Confident | 57 Ų | 57 | 46 Ų | 46 | 27% | 0.266 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.1 | -13.7 | 176.7 | -65.5 | -80 | -162.8 | 0 | 0 | 113.1 | C1634 H1636 S1642 G1643 N1644 K1647 | C1634-E1638 WeakPolarHBondContact O-CG 3.49Å; C1634-E1638 PolarHBondContact O-N 3Å; H1636-E1638 PolarHBondContact O-N 3.45Å; E1638-S1642 PolarHBondContact O-OG 2.96Å; E1638-S1642 PolarHBondContact OE2-OG 2.97Å; E1638-G1643 CarbonylContact O-C 3.51Å; E1638-G1643 PolarHBondContact O-N 2.88Å; E1638-N1644 PolarHBondContact O-N 3.41Å; E1638-K1647 HydrophobicContact CB-CB 4.28Å; E1638-K1647 HydrophobicContact CG-CB 4.23Å; E1638-K1647 HydrophobicContact CG-CD 4.01Å; E1638-K1647 WeakPolarHBondContact OE1-CD 3.48Å; E1638-K1647 WeakPolarHBondContact OE1-CE 3.48Å; E1638-K1647 IonicContact OE1-NZ 3.99Å; E1638-K1647 PolarHBondContact OE1-NZ 3.24Å; E1638-K1647 VanDerWaalsContact OE2-CD 3.24Å; E1638-K1647 WeakPolarHBondContact OE2-CD 3.43Å; E1638-K1647 IonicContact OE2-NZ 3.87Å; E1638-K1647 PolarHBondContact OE2-NZ 2.85Å |
| 1639 | I | 83.1 | Confident | 83.6 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -91 | -38.7 | 167.4 | -69.2 | 169.2 | 0 | 0 | 0 | 111.4 | A1635 H1636 N1637 Y1645 A1648 V1726 | A1635-I1639 WeakPolarHBondContact O-CG1 3.1Å; A1635-I1639 PolarHBondContact O-N 3.34Å; H1636-I1639 CarbonylContact O-C 3.52Å; H1636-I1639 WeakPolarHBondContact O-CA 3.43Å; H1636-I1639 PolarHBondContact O-N 3.38Å; N1637-I1639 PolarHBondContact O-N 3.1Å; I1639-Y1645 HydrophobicContact CD1-CD1 3.98Å; I1639-Y1645 HydrophobicContact CD1-CE1 3.8Å; I1639-Y1645 HydrophobicContact CG1-CD1 4.12Å; I1639-Y1645 HydrophobicContact CG1-CE1 4.03Å; I1639-Y1645 HydrophobicContact CG1-CG 4.48Å; I1639-Y1645 HydrophobicContact CG2-CE1 4.22Å; I1639-Y1645 HydrophobicContact CG2-CE2 4.34Å; I1639-A1648 HydrophobicContact CD1-CB 3.71Å; I1639-A1648 HydrophobicContact CG1-CB 3.62Å; I1639-V1726 HydrophobicContact CD1-CG1 3.47Å; I1639-V1726 VanDerWaalsContact CD1-CG1 3.47Å |
| 1640 | E | 77.1 | Confident | 83.7 | Confident | 95 Ų | 95 | 51 Ų | 51 | 44% | 0.444 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.4 | -45.7 | -178.2 | -70 | -94.3 | 112.6 | 0 | 0 | 113.1 | H1636 N1637 K1728 | H1636-E1640 VanDerWaalsContact CE1-CD 3.44Å; H1636-E1640 VanDerWaalsContact CE1-CG 3.41Å; H1636-E1640 WeakPolarHBondContact CE1-CG 3.43Å; H1636-E1640 IonicContact CE1-OE1 2.7Å; H1636-E1640 PolarHBondContact CE1-OE1 2.83Å; H1636-E1640 VanDerWaalsContact CE1-OE1 3.28Å; H1636-E1640 IonicContact NE2-OE1 3.64Å; H1636-E1640 WeakPolarHBondContact O-CB 3.29Å; H1636-E1640 VanDerWaalsContact O-CG 3.23Å; H1636-E1640 WeakPolarHBondContact O-CG 3.48Å; H1636-E1640 PolarHBondContact O-N 2.91Å; N1637-E1640 PolarHBondContact O-N 3.12Å; E1640-K1728 WeakPolarHBondContact OE1-CE 3.35Å; E1640-K1728 IonicContact OE1-NZ 2.75Å; E1640-K1728 PolarHBondContact OE1-NZ 2.74Å |
| 1641 | E | 74.1 | Confident | 83.6 | Confident | 125 Ų | 125 | 51.8 Ų | 51.8 | 58% | 0.584 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -35.9 | -168.8 | -58 | -178.5 | 117.6 | 0 | 0 | 112.9 | N1637 | N1637-E1641 PolarHBondContact ND2-OE2 2.83Å; N1637-E1641 WeakPolarHBondContact O-CB 3.36Å; N1637-E1641 PolarHBondContact O-N 3.28Å |
| 1642 | S | 69.3 | Low | 83.5 | Confident | 59 Ų | 59 | 50 Ų | 50 | 41% | 0.413 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -117.3 | -5 | -171.8 | 80.5 | 0 | 0 | 0 | 0 | 114.9 | E1638 N1644 | E1638-S1642 PolarHBondContact O-OG 2.96Å; E1638-S1642 PolarHBondContact OE2-OG 2.97Å; S1642-N1644 PolarHBondContact O-N 2.79Å; S1642-N1644 VanDerWaalsContact O-N 3.08Å; S1642-N1644 VanDerWaalsContact OG-CB 3.23Å; S1642-N1644 WeakPolarHBondContact OG-CB 3.39Å |
| 1643 | G | 73.4 | Confident | 83.6 | Confident | 44 Ų | 44 | 50.4 Ų | 50.4 | 45% | 0.454 | 27% | 0.274 | S | S | . | . | trans | 59 | 16.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1638 Y1645 | E1638-G1643 CarbonylContact O-C 3.51Å; E1638-G1643 PolarHBondContact O-N 2.88Å; G1643-Y1645 WeakPolarHBondContact O-CD2 3.38Å; G1643-Y1645 PolarHBondContact O-N 2.95Å; G1643-Y1645 VanDerWaalsContact O-N 3.16Å | ||
| 1644 | N | 83.3 | Confident | 83.8 | Confident | 55 Ų | 55 | 52 Ų | 52 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | trans | -91.8 | 78.2 | -167.7 | -163.5 | -41.2 | 0 | 0 | 0 | 111.9 | E1638 S1642 E1646 K1647 A1648 | E1638-N1644 PolarHBondContact O-N 3.41Å; S1642-N1644 PolarHBondContact O-N 2.79Å; S1642-N1644 VanDerWaalsContact O-N 3.08Å; S1642-N1644 VanDerWaalsContact OG-CB 3.23Å; S1642-N1644 WeakPolarHBondContact OG-CB 3.39Å; N1644-E1646 PolarHBondContact O-N 2.73Å; N1644-E1646 VanDerWaalsContact O-N 3.14Å; N1644-E1646 PolarHBondContact OD1-N 3.34Å; N1644-K1647 HydrophobicContact CB-CB 4.42Å; N1644-K1647 HydrophobicContact CB-CD 4.25Å; N1644-K1647 HydrophobicContact CB-CG 4.44Å; N1644-K1647 PolarHBondContact O-N 3.4Å; N1644-K1647 PolarHBondContact OD1-N 2.79Å; N1644-A1648 WeakPolarHBondContact O-CB 3.28Å; N1644-A1648 PolarHBondContact O-N 3.49Å | ||
| 1645 | Y | 85.6 | Confident | 83.8 | Confident | 8 Ų | 8 | 50.8 Ų | 50.8 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.1 | -24.5 | 175.7 | -76.2 | -89.2 | 0 | 0 | 0 | 113.8 | I1639 G1643 L1649 C1693 F1696 L1727 D1731 | I1639-Y1645 HydrophobicContact CD1-CD1 3.98Å; I1639-Y1645 HydrophobicContact CD1-CE1 3.8Å; I1639-Y1645 HydrophobicContact CG1-CD1 4.12Å; I1639-Y1645 HydrophobicContact CG1-CE1 4.03Å; I1639-Y1645 HydrophobicContact CG1-CG 4.48Å; I1639-Y1645 HydrophobicContact CG2-CE1 4.22Å; I1639-Y1645 HydrophobicContact CG2-CE2 4.34Å; G1643-Y1645 WeakPolarHBondContact O-CD2 3.38Å; G1643-Y1645 PolarHBondContact O-N 2.95Å; G1643-Y1645 VanDerWaalsContact O-N 3.16Å; Y1645-L1649 WeakPolarHBondContact O-CB 3.39Å; Y1645-L1649 PolarHBondContact O-N 3.21Å; Y1645-C1693 HydrophobicContact CD1-CB 4.38Å; Y1645-F1696 HydrophobicContact CD1-CD1 4.01Å; Y1645-F1696 AromaticContact CD2-CD1 3.88Å; Y1645-F1696 HydrophobicContact CD2-CD1 3.88Å; Y1645-F1696 AromaticContact CD2-CE1 3.72Å; Y1645-F1696 HydrophobicContact CD2-CE1 3.72Å; Y1645-F1696 HydrophobicContact CE1-CD1 4.05Å; Y1645-F1696 HydrophobicContact CE1-CE1 4.42Å; Y1645-F1696 AromaticContact CE2-CD1 3.94Å; Y1645-F1696 HydrophobicContact CE2-CD1 3.94Å; Y1645-F1696 AromaticContact CE2-CE1 3.54Å; Y1645-F1696 HydrophobicContact CE2-CE1 3.54Å; Y1645-F1696 AromaticContact CG-CD1 3.93Å; Y1645-F1696 HydrophobicContact CG-CD1 3.93Å; Y1645-F1696 HydrophobicContact CG-CE1 4.27Å; Y1645-F1696 AromaticContact CZ-CE1 3.91Å; Y1645-L1727 HydrophobicContact CD1-CD2 4.32Å; Y1645-L1727 HydrophobicContact CE1-CD2 3.52Å; Y1645-D1731 PolarHBondContact OH-OD2 3.08Å |
| 1646 | E | 85.9 | Confident | 83.8 | Confident | 110 Ų | 110 | 55 Ų | 55 | 51% | 0.514 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -73.4 | -46.8 | 177.2 | -63.2 | -163.8 | 150.1 | 0 | 0 | 112.4 | N1644 A1648 L1649 D1650 I1697 K1701 | N1644-E1646 PolarHBondContact O-N 2.73Å; N1644-E1646 VanDerWaalsContact O-N 3.14Å; N1644-E1646 PolarHBondContact OD1-N 3.34Å; E1646-A1648 VanDerWaalsContact C-N 3.33Å; E1646-A1648 PolarHBondContact O-N 3.3Å; E1646-L1649 WeakPolarHBondContact O-CB 3.4Å; E1646-L1649 PolarHBondContact O-N 3.08Å; E1646-D1650 PolarHBondContact O-N 3Å; E1646-I1697 HydrophobicContact CG-CD1 4.06Å; E1646-I1697 HydrophobicContact CG-CG1 4.43Å; E1646-K1701 IonicContact OE1-NZ 2.69Å; E1646-K1701 PolarHBondContact OE1-NZ 2.81Å |
| 1647 | K | 85 | Confident | 84 | Confident | 98 Ų | 98 | 54.2 Ų | 54.2 | 43% | 0.426 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 171.3 | -71.1 | -179.2 | -176.2 | 178.1 | 0 | 112.2 | E1638 N1644 L1649 D1650 A1651 | E1638-K1647 HydrophobicContact CB-CB 4.28Å; E1638-K1647 HydrophobicContact CG-CB 4.23Å; E1638-K1647 HydrophobicContact CG-CD 4.01Å; E1638-K1647 WeakPolarHBondContact OE1-CD 3.48Å; E1638-K1647 WeakPolarHBondContact OE1-CE 3.48Å; E1638-K1647 IonicContact OE1-NZ 3.99Å; E1638-K1647 PolarHBondContact OE1-NZ 3.24Å; E1638-K1647 VanDerWaalsContact OE2-CD 3.24Å; E1638-K1647 WeakPolarHBondContact OE2-CD 3.43Å; E1638-K1647 IonicContact OE2-NZ 3.87Å; E1638-K1647 PolarHBondContact OE2-NZ 2.85Å; N1644-K1647 HydrophobicContact CB-CB 4.42Å; N1644-K1647 HydrophobicContact CB-CD 4.25Å; N1644-K1647 HydrophobicContact CB-CG 4.44Å; N1644-K1647 PolarHBondContact O-N 3.4Å; N1644-K1647 PolarHBondContact OD1-N 2.79Å; K1647-L1649 PolarHBondContact O-N 3.02Å; K1647-D1650 PolarHBondContact O-N 3.23Å; K1647-A1651 PolarHBondContact O-N 3.06Å |
| 1648 | A | 86.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63 | -35.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1635 I1639 N1644 E1646 L1652 | A1635-A1648 HydrophobicContact CB-CB 4.11Å; A1635-A1648 WeakPolarHBondContact CB-O 3.37Å; A1635-A1648 WeakPolarHBondContact O-CB 3.46Å; I1639-A1648 HydrophobicContact CD1-CB 3.71Å; I1639-A1648 HydrophobicContact CG1-CB 3.62Å; N1644-A1648 WeakPolarHBondContact O-CB 3.28Å; N1644-A1648 PolarHBondContact O-N 3.49Å; E1646-A1648 VanDerWaalsContact C-N 3.33Å; E1646-A1648 PolarHBondContact O-N 3.3Å; A1648-L1652 WeakPolarHBondContact O-CB 3.45Å; A1648-L1652 VanDerWaalsContact O-CG 3.24Å; A1648-L1652 WeakPolarHBondContact O-CG 3.28Å; A1648-L1652 PolarHBondContact O-N 3.4Å |
| 1649 | L | 88.8 | Confident | 84.2 | Confident | 29 Ų | 29 | 50 Ų | 50 | 15% | 0.152 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 171.3 | 176.8 | 61.3 | 0 | 0 | 0 | 111.7 | Y1645 E1646 K1647 A1651 L1652 T1653 T1690 K1694 I1697 | Y1645-L1649 WeakPolarHBondContact O-CB 3.39Å; Y1645-L1649 PolarHBondContact O-N 3.21Å; E1646-L1649 WeakPolarHBondContact O-CB 3.4Å; E1646-L1649 PolarHBondContact O-N 3.08Å; K1647-L1649 PolarHBondContact O-N 3.02Å; L1649-A1651 PolarHBondContact O-N 3.3Å; L1649-L1652 PolarHBondContact O-N 3.39Å; L1649-T1653 WeakPolarHBondContact O-CG2 3.33Å; L1649-T1653 PolarHBondContact O-N 2.95Å; L1649-T1690 HydrophobicContact CD1-CG2 3.66Å; L1649-K1694 HydrophobicContact CD1-CD 4.42Å; L1649-K1694 HydrophobicContact CD1-CG 3.91Å; L1649-K1694 HydrophobicContact CD2-CG 3.85Å; L1649-I1697 HydrophobicContact CD2-CD1 4.24Å |
| 1650 | D | 88.5 | Confident | 84.3 | Confident | 112 Ų | 112 | 52.3 Ų | 52.3 | 60% | 0.599 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -58.3 | -48.4 | 177.7 | -85 | -19.7 | 0 | 0 | 0 | 112.1 | E1646 K1647 L1652 T1653 E1654 | E1646-D1650 PolarHBondContact O-N 3Å; K1647-D1650 PolarHBondContact O-N 3.23Å; D1650-L1652 PolarHBondContact O-N 3.48Å; D1650-T1653 WeakPolarHBondContact O-CA 3.21Å; D1650-T1653 WeakPolarHBondContact O-CB 3.38Å; D1650-T1653 PolarHBondContact O-N 3.4Å; D1650-T1653 PolarHBondContact O-OG1 3.3Å; D1650-E1654 PolarHBondContact O-N 2.93Å; D1650-E1654 VanDerWaalsContact O-N 3.14Å |
| 1651 | A | 87.7 | Confident | 84.5 | Confident | 17 Ų | 17 | 53.6 Ų | 53.6 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.6 | -43 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | C1634 A1635 K1647 L1649 T1653 E1654 A1655 | C1634-A1651 HydrophobicContact CB-CB 4.31Å; A1635-A1651 HydrophobicContact CB-CB 3.91Å; K1647-A1651 PolarHBondContact O-N 3.06Å; L1649-A1651 PolarHBondContact O-N 3.3Å; A1651-T1653 PolarHBondContact O-N 3.03Å; A1651-E1654 PolarHBondContact O-N 3.29Å; A1651-E1654 VanDerWaalsContact O-N 3.15Å; A1651-A1655 PolarHBondContact O-N 3.5Å |
| 1652 | L | 88.5 | Confident | 84.7 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61 | -31.2 | 171.7 | -73 | 168.9 | 0 | 0 | 0 | 112.5 | E1632 A1635 A1648 L1649 D1650 Y1656 I1686 K1689 | E1632-L1652 HydrophobicContact CG-CD2 4.43Å; A1635-L1652 HydrophobicContact CB-CD2 4.17Å; A1635-L1652 HydrophobicContact CB-CG 3.8Å; A1648-L1652 WeakPolarHBondContact O-CB 3.45Å; A1648-L1652 VanDerWaalsContact O-CG 3.24Å; A1648-L1652 WeakPolarHBondContact O-CG 3.28Å; A1648-L1652 PolarHBondContact O-N 3.4Å; L1649-L1652 PolarHBondContact O-N 3.39Å; D1650-L1652 PolarHBondContact O-N 3.48Å; L1652-Y1656 WeakPolarHBondContact O-CB 3.14Å; L1652-Y1656 PolarHBondContact O-N 3.36Å; L1652-I1686 HydrophobicContact CD2-CG2 4.33Å; L1652-K1689 HydrophobicContact CD1-CB 4.18Å; L1652-K1689 HydrophobicContact CD2-CB 4.31Å; L1652-K1689 HydrophobicContact CD2-CD 4.34Å |
| 1653 | T | 90 | Very high | 84.9 | Confident | 36 Ų | 36 | 48.7 Ų | 48.7 | 22% | 0.221 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.2 | -35.1 | 174.1 | 81.8 | 0 | 0 | 0 | 0 | 112.9 | L1649 D1650 A1651 Y1656 K1657 | L1649-T1653 WeakPolarHBondContact O-CG2 3.33Å; L1649-T1653 PolarHBondContact O-N 2.95Å; D1650-T1653 WeakPolarHBondContact O-CA 3.21Å; D1650-T1653 WeakPolarHBondContact O-CB 3.38Å; D1650-T1653 PolarHBondContact O-N 3.4Å; D1650-T1653 PolarHBondContact O-OG1 3.3Å; A1651-T1653 PolarHBondContact O-N 3.03Å; T1653-Y1656 PolarHBondContact O-N 2.87Å; T1653-K1657 WeakPolarHBondContact O-CD 3.34Å; T1653-K1657 WeakPolarHBondContact O-CE 3.31Å; T1653-K1657 WeakPolarHBondContact O-CG 3.27Å; T1653-K1657 PolarHBondContact O-N 3.02Å; T1653-K1657 PolarHBondContact OG1-NZ 3.05Å |
| 1654 | E | 89.6 | Confident | 84.7 | Confident | 67 Ų | 67 | 50.1 Ų | 50.1 | 31% | 0.313 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -70.5 | -41.1 | 173.1 | -72.1 | -55.2 | 142 | 0 | 0 | 111.6 | Y1631 D1650 A1651 Y1656 K1657 V1658 | Y1631-E1654 HydrophobicContact CD1-CB 3.96Å; Y1631-E1654 HydrophobicContact CD2-CB 3.99Å; Y1631-E1654 HydrophobicContact CE1-CB 3.97Å; Y1631-E1654 HydrophobicContact CE1-CG 4.5Å; Y1631-E1654 HydrophobicContact CE2-CB 3.99Å; Y1631-E1654 HydrophobicContact CG-CB 3.99Å; D1650-E1654 PolarHBondContact O-N 2.93Å; D1650-E1654 VanDerWaalsContact O-N 3.14Å; A1651-E1654 PolarHBondContact O-N 3.29Å; A1651-E1654 VanDerWaalsContact O-N 3.15Å; E1654-Y1656 VanDerWaalsContact C-N 3.27Å; E1654-Y1656 PolarHBondContact O-N 3.08Å; E1654-K1657 PolarHBondContact O-N 2.87Å; E1654-K1657 VanDerWaalsContact O-N 3.14Å; E1654-K1657 VanDerWaalsContact OE1-CD 3.32Å; E1654-K1657 WeakPolarHBondContact OE1-CD 3.2Å; E1654-K1657 IonicContact OE1-NZ 2.72Å; E1654-K1657 PolarHBondContact OE1-NZ 3.23Å; E1654-V1658 WeakPolarHBondContact O-CG2 3.36Å; E1654-V1658 PolarHBondContact O-N 3.15Å |
| 1655 | A | 87.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -53.7 | -46.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1632 A1651 V1658 L1659 I1686 | E1632-A1655 HydrophobicContact CG-CB 4.22Å; A1651-A1655 PolarHBondContact O-N 3.5Å; A1655-V1658 PolarHBondContact O-N 3.04Å; A1655-L1659 PolarHBondContact O-N 2.79Å; A1655-I1686 HydrophobicContact CB-CD1 3.91Å |
| 1656 | Y | 87.3 | Confident | 82.5 | Confident | 90 Ų | 90 | 53.3 Ų | 53.3 | 35% | 0.353 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 175.7 | -172.7 | -94 | 0 | 0 | 0 | 112.6 | L1652 T1653 E1654 V1658 L1659 V1660 L1683 I1686 K1687 | L1652-Y1656 WeakPolarHBondContact O-CB 3.14Å; L1652-Y1656 PolarHBondContact O-N 3.36Å; T1653-Y1656 PolarHBondContact O-N 2.87Å; E1654-Y1656 VanDerWaalsContact C-N 3.27Å; E1654-Y1656 PolarHBondContact O-N 3.08Å; Y1656-V1658 VanDerWaalsContact C-N 3.29Å; Y1656-V1658 PolarHBondContact O-N 3.08Å; Y1656-L1659 PolarHBondContact O-N 3.11Å; Y1656-V1660 HydrophobicContact CD1-CG2 3.95Å; Y1656-V1660 HydrophobicContact CE1-CG2 3.59Å; Y1656-V1660 WeakPolarHBondContact O-CG2 3.47Å; Y1656-V1660 PolarHBondContact O-N 2.85Å; Y1656-L1683 HydrophobicContact CD2-CD2 3.87Å; Y1656-L1683 HydrophobicContact CE2-CD2 3.74Å; Y1656-I1686 HydrophobicContact CD2-CG2 4.43Å; Y1656-K1687 HydrophobicContact CE2-CB 4.42Å |
| 1657 | K | 87.7 | Confident | 80.9 | Confident | 87 Ų | 87 | 53 Ų | 53 | 38% | 0.378 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.4 | -36.5 | 176.5 | -71.2 | 161 | -153.7 | 164.1 | 0 | 112.1 | T1653 E1654 K1661 | T1653-K1657 WeakPolarHBondContact O-CD 3.34Å; T1653-K1657 WeakPolarHBondContact O-CE 3.31Å; T1653-K1657 WeakPolarHBondContact O-CG 3.27Å; T1653-K1657 PolarHBondContact O-N 3.02Å; T1653-K1657 PolarHBondContact OG1-NZ 3.05Å; E1654-K1657 PolarHBondContact O-N 2.87Å; E1654-K1657 VanDerWaalsContact O-N 3.14Å; E1654-K1657 VanDerWaalsContact OE1-CD 3.32Å; E1654-K1657 WeakPolarHBondContact OE1-CD 3.2Å; E1654-K1657 IonicContact OE1-NZ 2.72Å; E1654-K1657 PolarHBondContact OE1-NZ 3.23Å; K1657-K1661 WeakPolarHBondContact O-CG 3.36Å; K1657-K1661 PolarHBondContact O-N 2.87Å |
| 1658 | V | 86.4 | Confident | 79.3 | Confident | 6 Ų | 6 | 55.4 Ų | 55.4 | 4% | 0.036 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.5 | -46.1 | 176.5 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | M1624 L1627 A1628 Y1631 E1654 A1655 Y1656 V1660 K1661 L1662 | M1624-V1658 HydrophobicContact CB-CG1 3.92Å; M1624-V1658 WeakPolarHBondContact O-CG1 3.38Å; M1624-V1658 HydrophobicContact SD-CG1 4.05Å; L1627-V1658 HydrophobicContact CB-CG1 4.37Å; L1627-V1658 HydrophobicContact CD2-CG1 4.22Å; L1627-V1658 HydrophobicContact CD2-CG2 3.93Å; L1627-V1658 HydrophobicContact CG-CG1 4.41Å; L1627-V1658 HydrophobicContact CG-CG2 4.23Å; A1628-V1658 HydrophobicContact CB-CB 4.37Å; A1628-V1658 HydrophobicContact CB-CG1 4.14Å; Y1631-V1658 HydrophobicContact CD2-CG2 4.19Å; Y1631-V1658 HydrophobicContact CE2-CG2 3.95Å; E1654-V1658 WeakPolarHBondContact O-CG2 3.36Å; E1654-V1658 PolarHBondContact O-N 3.15Å; A1655-V1658 PolarHBondContact O-N 3.04Å; Y1656-V1658 VanDerWaalsContact C-N 3.29Å; Y1656-V1658 PolarHBondContact O-N 3.08Å; V1658-V1660 VanDerWaalsContact C-N 3.32Å; V1658-V1660 PolarHBondContact O-N 2.78Å; V1658-K1661 WeakPolarHBondContact O-CB 3.48Å; V1658-K1661 PolarHBondContact O-N 2.84Å; V1658-L1662 PolarHBondContact O-N 3.02Å |
| 1659 | L | 84 | Confident | 77.4 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.6 | -33.9 | 175.6 | -66.8 | -170 | 0 | 0 | 0 | 112.9 | A1628 A1655 Y1656 L1662 S1663 L1679 R1682 L1683 I1686 | A1628-L1659 HydrophobicContact CB-CD2 3.62Å; A1628-L1659 HydrophobicContact CB-CG 3.86Å; A1655-L1659 PolarHBondContact O-N 2.79Å; Y1656-L1659 PolarHBondContact O-N 3.11Å; L1659-L1662 HydrophobicContact CD2-CD1 3.85Å; L1659-L1662 WeakPolarHBondContact O-CB 3.24Å; L1659-L1662 PolarHBondContact O-N 3.14Å; L1659-S1663 PolarHBondContact O-N 2.96Å; L1659-L1679 HydrophobicContact CD2-CD2 4.24Å; L1659-R1682 HydrophobicContact CD1-CB 4.15Å; L1659-R1682 HydrophobicContact CD1-CG 3.89Å; L1659-L1683 HydrophobicContact CB-CD2 3.52Å; L1659-L1683 HydrophobicContact CB-CG 3.91Å; L1659-L1683 HydrophobicContact CD1-CD2 4.26Å; L1659-L1683 HydrophobicContact CD1-CG 4.22Å; L1659-I1686 HydrophobicContact CD1-CD1 3.62Å; L1659-I1686 HydrophobicContact CD1-CG1 4.44Å; L1659-I1686 HydrophobicContact CG-CD1 4.45Å |
| 1660 | V | 84.3 | Confident | 75.6 | Confident | 57 Ų | 57 | 67.8 Ų | 67.8 | 35% | 0.345 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 173.2 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | Y1656 V1658 L1662 S1663 S1664 L1683 | Y1656-V1660 HydrophobicContact CD1-CG2 3.95Å; Y1656-V1660 HydrophobicContact CE1-CG2 3.59Å; Y1656-V1660 WeakPolarHBondContact O-CG2 3.47Å; Y1656-V1660 PolarHBondContact O-N 2.85Å; V1658-V1660 VanDerWaalsContact C-N 3.32Å; V1658-V1660 PolarHBondContact O-N 2.78Å; V1660-L1662 PolarHBondContact O-N 2.79Å; V1660-S1663 PolarHBondContact O-N 2.97Å; V1660-S1663 PolarHBondContact O-OG 3.16Å; V1660-S1664 PolarHBondContact O-N 3.2Å; V1660-S1664 VanDerWaalsContact O-N 3.09Å; V1660-L1683 HydrophobicContact CG2-CD2 4.02Å |
| 1661 | K | 82.5 | Confident | 73.9 | Confident | 121 Ų | 121 | 69.6 Ų | 69.6 | 53% | 0.526 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.8 | -46.8 | 173.7 | -75 | 167.2 | -177.6 | 171 | 0 | 111.4 | K1657 V1658 S1663 S1664 S1665 | K1657-K1661 WeakPolarHBondContact O-CG 3.36Å; K1657-K1661 PolarHBondContact O-N 2.87Å; V1658-K1661 WeakPolarHBondContact O-CB 3.48Å; V1658-K1661 PolarHBondContact O-N 2.84Å; K1661-S1663 PolarHBondContact O-N 3.12Å; K1661-S1664 PolarHBondContact O-N 2.88Å; K1661-S1664 VanDerWaalsContact O-N 3.14Å; K1661-S1664 PolarHBondContact O-OG 2.8Å; K1661-S1665 PolarHBondContact O-N 3.34Å; K1661-S1665 VanDerWaalsContact O-N 3.13Å; K1661-S1665 PolarHBondContact O-OG 2.87Å |
| 1662 | L | 77.7 | Confident | 72.1 | Confident | 29 Ų | 29 | 70.8 Ų | 70.8 | 15% | 0.152 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -49.2 | -54.2 | 171.9 | -98.2 | 162.2 | 0 | 0 | 0 | 111.7 | M1624 E1625 V1658 L1659 V1660 S1664 S1665 T1666 L1679 | M1624-L1662 HydrophobicContact CB-CD1 3.43Å; M1624-L1662 VanDerWaalsContact CB-CD1 3.43Å; M1624-L1662 HydrophobicContact CB-CD2 3.97Å; M1624-L1662 HydrophobicContact CB-CG 3.49Å; M1624-L1662 VanDerWaalsContact CB-CG 3.49Å; M1624-L1662 HydrophobicContact CG-CG 4.19Å; E1625-L1662 HydrophobicContact CG-CD1 3.77Å; V1658-L1662 PolarHBondContact O-N 3.02Å; L1659-L1662 HydrophobicContact CD2-CD1 3.85Å; L1659-L1662 WeakPolarHBondContact O-CB 3.24Å; L1659-L1662 PolarHBondContact O-N 3.14Å; V1660-L1662 PolarHBondContact O-N 2.79Å; L1662-S1664 PolarHBondContact O-N 3.12Å; L1662-S1665 PolarHBondContact O-N 3.5Å; L1662-S1665 PolarHBondContact O-OG 3.46Å; L1662-T1666 PolarHBondContact O-N 3.07Å; L1662-T1666 PolarHBondContact O-OG1 3.19Å; L1662-T1666 VanDerWaalsContact O-OG1 3.14Å; L1662-L1679 HydrophobicContact CB-CD2 4.3Å; L1662-L1679 HydrophobicContact CD1-CD2 4.02Å |
| 1663 | S | 72.7 | Confident | 70.6 | Confident | 53 Ų | 53 | 78.7 Ų | 78.7 | 37% | 0.371 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.8 | -24.3 | -178.3 | 70.2 | 0 | 0 | 0 | 0 | 114.7 | L1659 V1660 K1661 T1666 | L1659-S1663 PolarHBondContact O-N 2.96Å; V1660-S1663 PolarHBondContact O-N 2.97Å; V1660-S1663 PolarHBondContact O-OG 3.16Å; K1661-S1663 PolarHBondContact O-N 3.12Å; S1663-T1666 PolarHBondContact O-OG1 3.02Å |
| 1664 | S | 70.3 | Confident | 69.2 | Low | 74 Ų | 74 | 82 Ų | 82 | 52% | 0.517 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -80.1 | -29.9 | 173.7 | 67.6 | 0 | 0 | 0 | 0 | 113.1 | V1660 K1661 L1662 T1667 | V1660-S1664 PolarHBondContact O-N 3.2Å; V1660-S1664 VanDerWaalsContact O-N 3.09Å; K1661-S1664 PolarHBondContact O-N 2.88Å; K1661-S1664 VanDerWaalsContact O-N 3.14Å; K1661-S1664 PolarHBondContact O-OG 2.8Å; L1662-S1664 PolarHBondContact O-N 3.12Å; S1664-T1667 PolarHBondContact O-OG1 2.87Å; S1664-T1667 VanDerWaalsContact O-OG1 3.07Å |
| 1665 | S | 63.1 | Low | 67.8 | Low | 83 Ų | 83 | 83 Ų | 83 | 58% | 0.58 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -81.6 | -16.7 | -175.1 | 57.5 | 0 | 0 | 0 | 0 | 115.4 | K1661 L1662 T1667 | K1661-S1665 PolarHBondContact O-N 3.34Å; K1661-S1665 VanDerWaalsContact O-N 3.13Å; K1661-S1665 PolarHBondContact O-OG 2.87Å; L1662-S1665 PolarHBondContact O-N 3.5Å; L1662-S1665 PolarHBondContact O-OG 3.46Å; S1665-T1667 VanDerWaalsContact C-N 3.26Å; S1665-T1667 PolarHBondContact O-N 3.12Å |
| 1666 | T | 58.5 | Low | 66.7 | Low | 46 Ų | 46 | 87.5 Ų | 87.5 | 28% | 0.282 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 18.1 | -175 | 24.3 | 0 | 0 | 0 | 0 | 115 | L1662 S1663 N1668 | L1662-T1666 PolarHBondContact O-N 3.07Å; L1662-T1666 PolarHBondContact O-OG1 3.19Å; L1662-T1666 VanDerWaalsContact O-OG1 3.14Å; S1663-T1666 PolarHBondContact O-OG1 3.02Å; T1666-N1668 PolarHBondContact O-N 2.86Å |
| 1667 | T | 52.3 | Low | 65.8 | Low | 105 Ų | 105 | 86.3 Ų | 86.3 | 64% | 0.644 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -2.1 | -163.2 | 35.9 | 0 | 0 | 0 | 0 | 116.5 | S1664 S1665 | S1664-T1667 PolarHBondContact O-OG1 2.87Å; S1664-T1667 VanDerWaalsContact O-OG1 3.07Å; S1665-T1667 VanDerWaalsContact C-N 3.26Å; S1665-T1667 PolarHBondContact O-N 3.12Å |
| 1668 | N | 51.2 | Low | 65.1 | Low | 148 Ų | 148 | 87 Ų | 87 | 79% | 0.791 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123 | -0.3 | -169.3 | -73.3 | -16.3 | 0 | 0 | 0 | 116.7 | T1666 | T1666-N1668 PolarHBondContact O-N 2.86Š|
| 1669 | D | 47.1 | Very low | 64.5 | Low | 122 Ų | 122 | 87.1 Ų | 87.1 | 65% | 0.652 | 48% | 0.48 | S | S | * | . | trans | -123.4 | 118.1 | -176.7 | -73 | -58.9 | 0 | 0 | 0 | 112.5 | N1671 N1672 | D1669-N1671 PolarHBondContact O-N 2.78Å; D1669-N1672 PolarHBondContact O-ND2 2.83Å | ||
| 1670 | D | 50.4 | Low | 64.2 | Low | 166 Ų | 166 | 92.1 Ų | 92.1 | 89% | 0.888 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -6.3 | -169.1 | -73.1 | -46.9 | 0 | 0 | 0 | 116.8 | ||
| 1671 | N | 52.5 | Low | 64 | Low | 151 Ų | 151 | 95.6 Ų | 95.6 | 81% | 0.807 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 8.9 | -169.3 | -72.6 | -51.8 | 0 | 0 | 0 | 115.7 | D1669 | D1669-N1671 PolarHBondContact O-N 2.78Š|
| 1672 | N | 50.4 | Low | 63.9 | Low | 41 Ų | 41 | 92.2 Ų | 92.2 | 22% | 0.219 | 50% | 0.496 | C | S | . | . | trans | -102.4 | 9.5 | -159.5 | -86 | -62.9 | 0 | 0 | 0 | 118.8 | D1669 T1674 N1675 E1676 | D1669-N1672 PolarHBondContact O-ND2 2.83Å; N1672-T1674 VanDerWaalsContact C-N 3.32Å; N1672-T1674 PolarHBondContact O-N 3.48Å; N1672-N1675 PolarHBondContact O-N 3.44Å; N1672-N1675 PolarHBondContact OD1-ND2 2.99Å; N1672-E1676 PolarHBondContact O-N 3.4Å | ||
| 1673 | Q | 56.7 | Low | 64.1 | Low | 170 Ų | 170 | 92.1 Ų | 92.1 | 79% | 0.794 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.2 | -34.8 | -172.1 | -68.8 | -171.7 | 2.1 | 0 | 0 | 115.2 | C1677 | Q1673-C1677 PolarHBondContact O-N 3.14Å |
| 1674 | T | 61.6 | Low | 64.7 | Low | 107 Ų | 107 | 94 Ų | 94 | 66% | 0.656 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71 | -45.3 | 178.3 | 45.5 | 0 | 0 | 0 | 0 | 112.2 | N1672 E1676 C1677 H1678 | N1672-T1674 VanDerWaalsContact C-N 3.32Å; N1672-T1674 PolarHBondContact O-N 3.48Å; T1674-E1676 VanDerWaalsContact C-N 3.33Å; T1674-E1676 PolarHBondContact O-N 2.8Å; T1674-C1677 WeakPolarHBondContact O-CB 3.28Å; T1674-C1677 PolarHBondContact O-N 2.81Å; T1674-H1678 PolarHBondContact O-N 3.04Å; T1674-H1678 VanDerWaalsContact O-N 3.13Å |
| 1675 | N | 59.5 | Low | 65.3 | Low | 86 Ų | 86 | 96.1 Ų | 96.1 | 46% | 0.46 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 177.3 | -66.4 | -23.4 | 0 | 0 | 0 | 111.1 | N1672 C1677 H1678 L1679 | N1672-N1675 PolarHBondContact O-N 3.44Å; N1672-N1675 PolarHBondContact OD1-ND2 2.99Å; N1675-C1677 VanDerWaalsContact C-N 3.29Å; N1675-C1677 PolarHBondContact O-N 2.8Å; N1675-H1678 PolarHBondContact O-N 2.59Å; N1675-L1679 WeakPolarHBondContact O-CB 3.38Å; N1675-L1679 WeakPolarHBondContact O-CG 3.23Å; N1675-L1679 PolarHBondContact O-N 3.02Å |
| 1676 | E | 64.4 | Low | 66.3 | Low | 96 Ų | 96 | 92.1 Ų | 92.1 | 45% | 0.449 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.1 | -36.8 | 178.6 | -152.3 | -146.1 | -177.1 | 0 | 0 | 112.1 | N1672 T1674 K1680 | N1672-E1676 PolarHBondContact O-N 3.4Å; T1674-E1676 VanDerWaalsContact C-N 3.33Å; T1674-E1676 PolarHBondContact O-N 2.8Å; E1676-K1680 WeakPolarHBondContact O-CB 3.28Å; E1676-K1680 WeakPolarHBondContact O-CD 3.44Å; E1676-K1680 WeakPolarHBondContact O-CG 3.44Å; E1676-K1680 PolarHBondContact O-N 3.05Å; E1676-K1680 WeakPolarHBondContact OE1-CE 3.22Å; E1676-K1680 IonicContact OE1-NZ 2.62Å; E1676-K1680 PolarHBondContact OE1-NZ 3.42Å; E1676-K1680 IonicContact OE2-NZ 3.36Å; E1676-K1680 PolarHBondContact OE2-NZ 2.7Å |
| 1677 | C | 69.2 | Low | 67.5 | Low | 64 Ų | 64 | 95.4 Ų | 95.4 | 43% | 0.432 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.3 | -40.7 | 174.1 | -175 | 0 | 0 | 0 | 0 | 112.5 | Q1673 T1674 N1675 K1680 K1681 | Q1673-C1677 PolarHBondContact O-N 3.14Å; T1674-C1677 WeakPolarHBondContact O-CB 3.28Å; T1674-C1677 PolarHBondContact O-N 2.81Å; N1675-C1677 VanDerWaalsContact C-N 3.29Å; N1675-C1677 PolarHBondContact O-N 2.8Å; C1677-K1680 PolarHBondContact O-N 3.19Å; C1677-K1681 WeakPolarHBondContact O-CG 3.44Å; C1677-K1681 PolarHBondContact O-N 3.41Å; C1677-K1681 VanDerWaalsContact O-N 3.09Å |
| 1678 | H | 72.9 | Confident | 69.1 | Low | 102 Ų | 102 | 95 Ų | 95 | 47% | 0.472 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.9 | -47.2 | 176.7 | -172.4 | -111.8 | 0 | 0 | 0 | 111.8 | T1674 N1675 K1680 K1681 R1682 | T1674-H1678 PolarHBondContact O-N 3.04Å; T1674-H1678 VanDerWaalsContact O-N 3.13Å; N1675-H1678 PolarHBondContact O-N 2.59Å; H1678-K1680 VanDerWaalsContact C-N 3.34Å; H1678-K1680 PolarHBondContact O-N 3.02Å; H1678-K1681 WeakPolarHBondContact O-CB 3.12Å; H1678-K1681 PolarHBondContact O-N 2.8Å; H1678-K1681 VanDerWaalsContact O-N 3.15Å; H1678-R1682 PolarHBondContact O-N 3.15Å |
| 1679 | L | 72.5 | Confident | 70.6 | Confident | 8 Ų | 8 | 90.6 Ų | 90.6 | 4% | 0.042 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -58.1 | -43.3 | 175.3 | -76.2 | 165.2 | 0 | 0 | 0 | 111.9 | E1625 L1659 L1662 N1675 K1681 R1682 L1683 | E1625-L1679 HydrophobicContact CG-CD2 4.47Å; E1625-L1679 WeakPolarHBondContact OE1-CD2 3.44Å; L1659-L1679 HydrophobicContact CD2-CD2 4.24Å; L1662-L1679 HydrophobicContact CB-CD2 4.3Å; L1662-L1679 HydrophobicContact CD1-CD2 4.02Å; N1675-L1679 WeakPolarHBondContact O-CB 3.38Å; N1675-L1679 WeakPolarHBondContact O-CG 3.23Å; N1675-L1679 PolarHBondContact O-N 3.02Å; L1679-K1681 PolarHBondContact O-N 3.34Å; L1679-R1682 PolarHBondContact O-N 3.25Å; L1679-L1683 WeakPolarHBondContact O-CB 3.31Å; L1679-L1683 WeakPolarHBondContact O-CG 3.18Å; L1679-L1683 PolarHBondContact O-N 3.4Å |
| 1680 | K | 78.3 | Confident | 72.5 | Confident | 105 Ų | 105 | 85.7 Ų | 85.7 | 46% | 0.457 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 174.8 | -76.9 | 167.5 | -177.8 | 171.8 | 0 | 112.1 | E1676 C1677 H1678 L1683 T1684 | E1676-K1680 WeakPolarHBondContact O-CB 3.28Å; E1676-K1680 WeakPolarHBondContact O-CD 3.44Å; E1676-K1680 WeakPolarHBondContact O-CG 3.44Å; E1676-K1680 PolarHBondContact O-N 3.05Å; E1676-K1680 WeakPolarHBondContact OE1-CE 3.22Å; E1676-K1680 IonicContact OE1-NZ 2.62Å; E1676-K1680 PolarHBondContact OE1-NZ 3.42Å; E1676-K1680 IonicContact OE2-NZ 3.36Å; E1676-K1680 PolarHBondContact OE2-NZ 2.7Å; C1677-K1680 PolarHBondContact O-N 3.19Å; H1678-K1680 VanDerWaalsContact C-N 3.34Å; H1678-K1680 PolarHBondContact O-N 3.02Å; K1680-L1683 PolarHBondContact O-N 2.78Å; K1680-T1684 PolarHBondContact O-N 3.28Å; K1680-T1684 PolarHBondContact O-OG1 2.83Å |
| 1681 | K | 79.6 | Confident | 74.2 | Confident | 130 Ų | 130 | 82.1 Ų | 82.1 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.8 | -49.4 | 174.7 | -73.5 | 178.4 | -179.7 | -178 | 0 | 111.8 | C1677 H1678 L1679 L1683 T1684 Q1685 | C1677-K1681 WeakPolarHBondContact O-CG 3.44Å; C1677-K1681 PolarHBondContact O-N 3.41Å; C1677-K1681 VanDerWaalsContact O-N 3.09Å; H1678-K1681 WeakPolarHBondContact O-CB 3.12Å; H1678-K1681 PolarHBondContact O-N 2.8Å; H1678-K1681 VanDerWaalsContact O-N 3.15Å; L1679-K1681 PolarHBondContact O-N 3.34Å; K1681-L1683 VanDerWaalsContact C-N 3.34Å; K1681-L1683 PolarHBondContact O-N 2.57Å; K1681-T1684 WeakPolarHBondContact CA-OG1 3.49Å; K1681-T1684 PolarHBondContact O-N 3.32Å; K1681-T1684 PolarHBondContact O-OG1 3.06Å; K1681-Q1685 PolarHBondContact O-N 2.76Å |
| 1682 | R | 80.6 | Confident | 75.6 | Confident | 51 Ų | 51 | 75.8 Ų | 75.8 | 19% | 0.192 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64 | -38.1 | 179.6 | -161.5 | 175.9 | -175.2 | 155.4 | 4.6 | 112.3 | E1632 L1659 H1678 L1679 T1684 Q1685 I1686 | E1632-R1682 IonicContact OE2-CZ 2.66Å; E1632-R1682 IonicContact OE2-NE 3.49Å; E1632-R1682 PolarHBondContact OE2-NE 2.71Å; E1632-R1682 VanDerWaalsContact OE2-NE 3.08Å; E1632-R1682 IonicContact OE2-NH2 3.75Å; E1632-R1682 PolarHBondContact OE2-NH2 3.21Å; L1659-R1682 HydrophobicContact CD1-CB 4.15Å; L1659-R1682 HydrophobicContact CD1-CG 3.89Å; H1678-R1682 PolarHBondContact O-N 3.15Å; L1679-R1682 PolarHBondContact O-N 3.25Å; R1682-T1684 PolarHBondContact O-N 3.42Å; R1682-Q1685 PolarHBondContact O-N 2.9Å; R1682-I1686 PolarHBondContact O-N 3.24Å |
| 1683 | L | 82.6 | Confident | 77.3 | Confident | 26 Ų | 26 | 73.8 Ų | 73.8 | 14% | 0.136 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.4 | -42 | 170.4 | -82.7 | 165.3 | 0 | 0 | 0 | 112.2 | Y1656 L1659 V1660 L1679 K1680 K1681 K1687 | Y1656-L1683 HydrophobicContact CD2-CD2 3.87Å; Y1656-L1683 HydrophobicContact CE2-CD2 3.74Å; L1659-L1683 HydrophobicContact CB-CD2 3.52Å; L1659-L1683 HydrophobicContact CB-CG 3.91Å; L1659-L1683 HydrophobicContact CD1-CD2 4.26Å; L1659-L1683 HydrophobicContact CD1-CG 4.22Å; V1660-L1683 HydrophobicContact CG2-CD2 4.02Å; L1679-L1683 WeakPolarHBondContact O-CB 3.31Å; L1679-L1683 WeakPolarHBondContact O-CG 3.18Å; L1679-L1683 PolarHBondContact O-N 3.4Å; K1680-L1683 PolarHBondContact O-N 2.78Å; K1681-L1683 VanDerWaalsContact C-N 3.34Å; K1681-L1683 PolarHBondContact O-N 2.57Å; L1683-K1687 WeakPolarHBondContact O-CB 3.45Å; L1683-K1687 PolarHBondContact O-N 2.73Å |
| 1684 | T | 84.2 | Confident | 78.7 | Confident | 93 Ų | 93 | 70.4 Ų | 70.4 | 57% | 0.571 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.5 | -35.2 | 174.7 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | K1680 K1681 R1682 K1687 K1688 | K1680-T1684 PolarHBondContact O-N 3.28Å; K1680-T1684 PolarHBondContact O-OG1 2.83Å; K1681-T1684 WeakPolarHBondContact CA-OG1 3.49Å; K1681-T1684 PolarHBondContact O-N 3.32Å; K1681-T1684 PolarHBondContact O-OG1 3.06Å; R1682-T1684 PolarHBondContact O-N 3.42Å; T1684-K1687 PolarHBondContact O-N 3.1Å; T1684-K1688 PolarHBondContact O-N 3.4Å |
| 1685 | Q | 83 | Confident | 79.8 | Confident | 118 Ų | 118 | 69 Ų | 69 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66.5 | -52.7 | 175.2 | -73.1 | 171.1 | -44.8 | 0 | 0 | 111.5 | K1681 R1682 K1687 K1688 K1689 | K1681-Q1685 PolarHBondContact O-N 2.76Å; R1682-Q1685 PolarHBondContact O-N 2.9Å; Q1685-K1687 PolarHBondContact O-N 2.99Å; Q1685-K1688 WeakPolarHBondContact O-CB 3.32Å; Q1685-K1688 PolarHBondContact O-N 3.21Å; Q1685-K1689 WeakPolarHBondContact O-CG 3.41Å; Q1685-K1689 PolarHBondContact O-N 3.46Å |
| 1686 | I | 83.9 | Confident | 81 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.1 | -41.2 | 175.4 | -65 | -171.2 | 0 | 0 | 0 | 109.9 | E1632 L1652 A1655 Y1656 L1659 R1682 K1688 K1689 T1690 | E1632-I1686 HydrophobicContact CG-CD1 3.77Å; E1632-I1686 HydrophobicContact CG-CG1 4.27Å; L1652-I1686 HydrophobicContact CD2-CG2 4.33Å; A1655-I1686 HydrophobicContact CB-CD1 3.91Å; Y1656-I1686 HydrophobicContact CD2-CG2 4.43Å; L1659-I1686 HydrophobicContact CD1-CD1 3.62Å; L1659-I1686 HydrophobicContact CD1-CG1 4.44Å; L1659-I1686 HydrophobicContact CG-CD1 4.45Å; R1682-I1686 PolarHBondContact O-N 3.24Å; I1686-K1688 PolarHBondContact O-N 3.31Å; I1686-K1689 WeakPolarHBondContact O-CB 3.26Å; I1686-K1689 PolarHBondContact O-N 2.78Å; I1686-T1690 WeakPolarHBondContact O-CB 3.39Å; I1686-T1690 PolarHBondContact O-N 2.86Å; I1686-T1690 PolarHBondContact O-OG1 2.78Å |
| 1687 | K | 85.5 | Confident | 82 | Confident | 114 Ų | 114 | 61.1 Ų | 61.1 | 50% | 0.496 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 175 | -170.1 | 175.4 | 179.3 | -177.7 | 0 | 113 | Y1656 L1683 T1684 Q1685 I1691 | Y1656-K1687 HydrophobicContact CE2-CB 4.42Å; L1683-K1687 WeakPolarHBondContact O-CB 3.45Å; L1683-K1687 PolarHBondContact O-N 2.73Å; T1684-K1687 PolarHBondContact O-N 3.1Å; Q1685-K1687 PolarHBondContact O-N 2.99Å; K1687-I1691 HydrophobicContact CG-CD1 4.07Å; K1687-I1691 WeakPolarHBondContact O-CB 3.33Å; K1687-I1691 WeakPolarHBondContact O-CD1 3.49Å; K1687-I1691 VanDerWaalsContact O-CG1 3.23Å; K1687-I1691 WeakPolarHBondContact O-CG1 3.49Å; K1687-I1691 PolarHBondContact O-N 2.96Å |
| 1688 | K | 84.5 | Confident | 82.8 | Confident | 97 Ų | 97 | 63.8 Ų | 63.8 | 42% | 0.422 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 171.3 | -166 | -162.6 | -179.1 | -161.2 | 0 | 110.4 | T1684 Q1685 I1686 T1690 I1691 L1692 D1725 | T1684-K1688 PolarHBondContact O-N 3.4Å; Q1685-K1688 WeakPolarHBondContact O-CB 3.32Å; Q1685-K1688 PolarHBondContact O-N 3.21Å; I1686-K1688 PolarHBondContact O-N 3.31Å; K1688-T1690 PolarHBondContact O-N 2.91Å; K1688-I1691 PolarHBondContact O-N 3.43Å; K1688-I1691 VanDerWaalsContact O-N 3.12Å; K1688-L1692 HydrophobicContact CD-CD1 4.27Å; K1688-L1692 HydrophobicContact CG-CD1 4.16Å; K1688-L1692 HydrophobicContact CG-CG 4.4Å; K1688-L1692 WeakPolarHBondContact O-CG 3.4Å; K1688-L1692 PolarHBondContact O-N 3.01Å; K1688-D1725 WeakPolarHBondContact CE-OD1 3.19Å; K1688-D1725 IonicContact NZ-OD1 3.35Å; K1688-D1725 PolarHBondContact NZ-OD1 3.39Å; K1688-D1725 IonicContact NZ-OD2 2.65Å; K1688-D1725 PolarHBondContact NZ-OD2 3.28Å |
| 1689 | K | 84.3 | Confident | 83.2 | Confident | 55 Ų | 55 | 59 Ų | 59 | 24% | 0.239 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.3 | -49 | 176.1 | -62.8 | 177.9 | 171.6 | -173.8 | 0 | 111.7 | E1632 L1652 Q1685 I1686 I1691 L1692 C1693 V1726 | E1632-K1689 IonicContact OE1-NZ 3.38Å; E1632-K1689 PolarHBondContact OE1-NZ 3.44Å; L1652-K1689 HydrophobicContact CD1-CB 4.18Å; L1652-K1689 HydrophobicContact CD2-CB 4.31Å; L1652-K1689 HydrophobicContact CD2-CD 4.34Å; Q1685-K1689 WeakPolarHBondContact O-CG 3.41Å; Q1685-K1689 PolarHBondContact O-N 3.46Å; I1686-K1689 WeakPolarHBondContact O-CB 3.26Å; I1686-K1689 PolarHBondContact O-N 2.78Å; K1689-I1691 VanDerWaalsContact C-N 3.31Å; K1689-I1691 PolarHBondContact O-N 2.89Å; K1689-L1692 PolarHBondContact O-N 2.9Å; K1689-C1693 PolarHBondContact O-N 2.9Å; K1689-C1693 PolarHBondContact O-SG 2.82Å; K1689-C1693 VanDerWaalsContact O-SG 3.33Å; K1689-V1726 HydrophobicContact CB-CG2 4.07Å; K1689-V1726 HydrophobicContact CD-CG2 3.58Å; K1689-V1726 HydrophobicContact CG-CB 4.36Å; K1689-V1726 HydrophobicContact CG-CG2 3.53Å |
| 1690 | T | 85.6 | Confident | 83.7 | Confident | 20 Ų | 20 | 63 Ų | 63 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.1 | -35.3 | 176.8 | -53.9 | 0 | 0 | 0 | 0 | 112.8 | L1649 I1686 K1688 K1694 | L1649-T1690 HydrophobicContact CD1-CG2 3.66Å; I1686-T1690 WeakPolarHBondContact O-CB 3.39Å; I1686-T1690 PolarHBondContact O-N 2.86Å; I1686-T1690 PolarHBondContact O-OG1 2.78Å; K1688-T1690 PolarHBondContact O-N 2.91Å; T1690-K1694 VanDerWaalsContact O-CG 3.26Å; T1690-K1694 WeakPolarHBondContact O-CG 3.23Å; T1690-K1694 PolarHBondContact O-N 3.48Å |
| 1691 | I | 85.7 | Confident | 83.9 | Confident | 90 Ų | 90 | 63.2 Ų | 63.2 | 46% | 0.462 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71.3 | -47.7 | 175.1 | -70.7 | 164.1 | 0 | 0 | 0 | 110.3 | K1687 K1688 K1689 C1693 K1694 E1695 | K1687-I1691 HydrophobicContact CG-CD1 4.07Å; K1687-I1691 WeakPolarHBondContact O-CB 3.33Å; K1687-I1691 WeakPolarHBondContact O-CD1 3.49Å; K1687-I1691 VanDerWaalsContact O-CG1 3.23Å; K1687-I1691 WeakPolarHBondContact O-CG1 3.49Å; K1687-I1691 PolarHBondContact O-N 2.96Å; K1688-I1691 PolarHBondContact O-N 3.43Å; K1688-I1691 VanDerWaalsContact O-N 3.12Å; K1689-I1691 VanDerWaalsContact C-N 3.31Å; K1689-I1691 PolarHBondContact O-N 2.89Å; I1691-C1693 PolarHBondContact O-N 2.83Å; I1691-K1694 WeakPolarHBondContact O-CB 3.41Å; I1691-K1694 PolarHBondContact O-N 2.95Å; I1691-K1694 VanDerWaalsContact O-N 3.15Å; I1691-E1695 WeakPolarHBondContact O-CB 3.33Å; I1691-E1695 PolarHBondContact O-N 3.37Å |
| 1692 | L | 83.7 | Confident | 84.1 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 9% | 0.094 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 179.7 | -72.1 | 175.7 | 0 | 0 | 0 | 112.6 | K1688 K1689 K1694 E1695 F1696 L1717 D1725 L1727 | K1688-L1692 HydrophobicContact CD-CD1 4.27Å; K1688-L1692 HydrophobicContact CG-CD1 4.16Å; K1688-L1692 HydrophobicContact CG-CG 4.4Å; K1688-L1692 WeakPolarHBondContact O-CG 3.4Å; K1688-L1692 PolarHBondContact O-N 3.01Å; K1689-L1692 PolarHBondContact O-N 2.9Å; L1692-K1694 VanDerWaalsContact C-N 3.3Å; L1692-K1694 PolarHBondContact O-N 2.95Å; L1692-E1695 PolarHBondContact O-N 2.8Å; L1692-F1696 WeakPolarHBondContact O-CB 3.28Å; L1692-F1696 PolarHBondContact O-N 3.31Å; L1692-L1717 HydrophobicContact CD2-CD2 4.23Å; L1692-D1725 HydrophobicContact CD1-CB 4.2Å; L1692-D1725 VanDerWaalsContact CD1-OD1 3.3Å; L1692-D1725 WeakPolarHBondContact CD1-OD1 3.5Å; L1692-L1727 HydrophobicContact CB-CD1 3.91Å; L1692-L1727 HydrophobicContact CB-CG 4.46Å; L1692-L1727 HydrophobicContact CD2-CD1 4.32Å |
| 1693 | C | 84.8 | Confident | 84 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 174.9 | -64.3 | 0 | 0 | 0 | 0 | 111.5 | Y1645 K1689 I1691 I1697 | Y1645-C1693 HydrophobicContact CD1-CB 4.38Å; K1689-C1693 PolarHBondContact O-N 2.9Å; K1689-C1693 PolarHBondContact O-SG 2.82Å; K1689-C1693 VanDerWaalsContact O-SG 3.33Å; I1691-C1693 PolarHBondContact O-N 2.83Å; C1693-I1697 WeakPolarHBondContact O-CB 3.17Å; C1693-I1697 VanDerWaalsContact O-CD1 3.27Å; C1693-I1697 WeakPolarHBondContact O-CD1 3.47Å; C1693-I1697 WeakPolarHBondContact O-CG1 3.48Å; C1693-I1697 PolarHBondContact O-N 2.8Å |
| 1694 | K | 86.6 | Confident | 83.8 | Confident | 99 Ų | 99 | 60.5 Ų | 60.5 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.1 | -46.1 | 174.1 | -75.7 | 177.8 | 179.7 | -164.5 | 0 | 112.2 | L1649 T1690 I1691 L1692 F1696 I1697 E1698 | L1649-K1694 HydrophobicContact CD1-CD 4.42Å; L1649-K1694 HydrophobicContact CD1-CG 3.91Å; L1649-K1694 HydrophobicContact CD2-CG 3.85Å; T1690-K1694 VanDerWaalsContact O-CG 3.26Å; T1690-K1694 WeakPolarHBondContact O-CG 3.23Å; T1690-K1694 PolarHBondContact O-N 3.48Å; I1691-K1694 WeakPolarHBondContact O-CB 3.41Å; I1691-K1694 PolarHBondContact O-N 2.95Å; I1691-K1694 VanDerWaalsContact O-N 3.15Å; L1692-K1694 VanDerWaalsContact C-N 3.3Å; L1692-K1694 PolarHBondContact O-N 2.95Å; K1694-F1696 VanDerWaalsContact C-N 3.31Å; K1694-F1696 PolarHBondContact O-N 3.17Å; K1694-I1697 PolarHBondContact O-N 3.2Å; K1694-E1698 WeakPolarHBondContact O-CB 3.36Å; K1694-E1698 VanDerWaalsContact O-CG 3.29Å; K1694-E1698 WeakPolarHBondContact O-CG 3.47Å; K1694-E1698 PolarHBondContact O-N 3.36Å |
| 1695 | E | 84.5 | Confident | 83.6 | Confident | 77 Ų | 77 | 60.5 Ų | 60.5 | 36% | 0.36 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 179.1 | -176.5 | 167.3 | -156.9 | 0 | 0 | 111.6 | I1691 L1692 E1698 I1699 L1717 | I1691-E1695 WeakPolarHBondContact O-CB 3.33Å; I1691-E1695 PolarHBondContact O-N 3.37Å; L1692-E1695 PolarHBondContact O-N 2.8Å; E1695-E1698 PolarHBondContact O-N 3.3Å; E1695-I1699 HydrophobicContact CG-CD1 3.98Å; E1695-I1699 WeakPolarHBondContact O-CB 3.43Å; E1695-I1699 WeakPolarHBondContact O-CD1 3.28Å; E1695-I1699 WeakPolarHBondContact O-CG1 3.26Å; E1695-I1699 PolarHBondContact O-N 2.98Å; E1695-L1717 HydrophobicContact CG-CD1 4.3Å |
| 1696 | F | 85.7 | Confident | 83.4 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70 | -41.5 | 173.8 | -174.3 | -118 | 0 | 0 | 0 | 113 | Y1645 L1692 K1694 E1698 I1699 Q1700 L1727 D1731 I1732 L1735 | Y1645-F1696 HydrophobicContact CD1-CD1 4.01Å; Y1645-F1696 AromaticContact CD2-CD1 3.88Å; Y1645-F1696 HydrophobicContact CD2-CD1 3.88Å; Y1645-F1696 AromaticContact CD2-CE1 3.72Å; Y1645-F1696 HydrophobicContact CD2-CE1 3.72Å; Y1645-F1696 HydrophobicContact CE1-CD1 4.05Å; Y1645-F1696 HydrophobicContact CE1-CE1 4.42Å; Y1645-F1696 AromaticContact CE2-CD1 3.94Å; Y1645-F1696 HydrophobicContact CE2-CD1 3.94Å; Y1645-F1696 AromaticContact CE2-CE1 3.54Å; Y1645-F1696 HydrophobicContact CE2-CE1 3.54Å; Y1645-F1696 AromaticContact CG-CD1 3.93Å; Y1645-F1696 HydrophobicContact CG-CD1 3.93Å; Y1645-F1696 HydrophobicContact CG-CE1 4.27Å; Y1645-F1696 AromaticContact CZ-CE1 3.91Å; L1692-F1696 WeakPolarHBondContact O-CB 3.28Å; L1692-F1696 PolarHBondContact O-N 3.31Å; K1694-F1696 VanDerWaalsContact C-N 3.31Å; K1694-F1696 PolarHBondContact O-N 3.17Å; F1696-E1698 VanDerWaalsContact C-N 3.27Å; F1696-E1698 PolarHBondContact O-N 2.65Å; F1696-I1699 PolarHBondContact O-N 2.95Å; F1696-Q1700 HydrophobicContact CD1-CG 4.47Å; F1696-Q1700 HydrophobicContact CE1-CG 4.26Å; F1696-Q1700 HydrophobicContact CE2-CG 4.49Å; F1696-Q1700 HydrophobicContact CZ-CG 4.27Å; F1696-Q1700 WeakPolarHBondContact O-CB 3.38Å; F1696-Q1700 WeakPolarHBondContact O-CG 2.94Å; F1696-Q1700 PolarHBondContact O-N 3.27Å; F1696-L1727 HydrophobicContact CB-CD1 3.96Å; F1696-L1727 HydrophobicContact CB-CD2 3.44Å; F1696-L1727 VanDerWaalsContact CB-CD2 3.44Å; F1696-L1727 HydrophobicContact CB-CG 4.33Å; F1696-L1727 HydrophobicContact CD1-CD2 3.56Å; F1696-L1727 HydrophobicContact CD2-CD2 3.88Å; F1696-L1727 HydrophobicContact CE1-CD2 4.22Å; F1696-L1727 HydrophobicContact CG-CD2 3.36Å; F1696-D1731 HydrophobicContact CZ-CB 4.37Å; F1696-I1732 HydrophobicContact CD2-CG1 4.08Å; F1696-I1732 HydrophobicContact CE2-CG1 3.64Å; F1696-I1732 HydrophobicContact CZ-CG1 4.43Å; F1696-L1735 HydrophobicContact CE2-CD1 3.69Å; F1696-L1735 HydrophobicContact CZ-CD1 3.93Å |
| 1697 | I | 85.3 | Confident | 83 | Confident | 13 Ų | 13 | 62 Ų | 62 | 7% | 0.067 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 171.9 | -68.9 | 160.8 | 0 | 0 | 0 | 110.7 | E1646 L1649 C1693 K1694 K1701 | E1646-I1697 HydrophobicContact CG-CD1 4.06Å; E1646-I1697 HydrophobicContact CG-CG1 4.43Å; L1649-I1697 HydrophobicContact CD2-CD1 4.24Å; C1693-I1697 WeakPolarHBondContact O-CB 3.17Å; C1693-I1697 VanDerWaalsContact O-CD1 3.27Å; C1693-I1697 WeakPolarHBondContact O-CD1 3.47Å; C1693-I1697 WeakPolarHBondContact O-CG1 3.48Å; C1693-I1697 PolarHBondContact O-N 2.8Å; K1694-I1697 PolarHBondContact O-N 3.2Å; I1697-K1701 HydrophobicContact CG2-CD 4.01Å; I1697-K1701 WeakPolarHBondContact O-CB 3.45Å; I1697-K1701 WeakPolarHBondContact O-CD 3.5Å; I1697-K1701 VanDerWaalsContact O-CG 3.27Å; I1697-K1701 WeakPolarHBondContact O-CG 3.34Å; I1697-K1701 PolarHBondContact O-N 3.31Å |
| 1698 | E | 84.7 | Confident | 82.5 | Confident | 120 Ų | 120 | 62.4 Ų | 62.4 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66.1 | -43.6 | 174.5 | -76.2 | 171.9 | -152.1 | 0 | 0 | 110.9 | K1694 E1695 F1696 K1701 L1702 | K1694-E1698 WeakPolarHBondContact O-CB 3.36Å; K1694-E1698 VanDerWaalsContact O-CG 3.29Å; K1694-E1698 WeakPolarHBondContact O-CG 3.47Å; K1694-E1698 PolarHBondContact O-N 3.36Å; E1695-E1698 PolarHBondContact O-N 3.3Å; F1696-E1698 VanDerWaalsContact C-N 3.27Å; F1696-E1698 PolarHBondContact O-N 2.65Å; E1698-K1701 CarbonylContact O-C 3.15Å; E1698-K1701 PolarHBondContact O-N 2.62Å; E1698-L1702 WeakPolarHBondContact O-CB 3.18Å; E1698-L1702 PolarHBondContact O-N 3.05Å |
| 1699 | I | 82.5 | Confident | 82.4 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 176.8 | -74.3 | 164 | 0 | 0 | 0 | 112.2 | E1695 F1696 K1701 L1702 F1703 R1713 L1717 | E1695-I1699 HydrophobicContact CG-CD1 3.98Å; E1695-I1699 WeakPolarHBondContact O-CB 3.43Å; E1695-I1699 WeakPolarHBondContact O-CD1 3.28Å; E1695-I1699 WeakPolarHBondContact O-CG1 3.26Å; E1695-I1699 PolarHBondContact O-N 2.98Å; F1696-I1699 PolarHBondContact O-N 2.95Å; I1699-K1701 PolarHBondContact O-N 2.89Å; I1699-L1702 WeakPolarHBondContact O-CA 3.3Å; I1699-L1702 WeakPolarHBondContact O-CB 3.5Å; I1699-L1702 PolarHBondContact O-N 2.82Å; I1699-F1703 HydrophobicContact CG2-CD2 3.92Å; I1699-F1703 HydrophobicContact CG2-CE2 3.64Å; I1699-F1703 WeakPolarHBondContact O-CD2 3.48Å; I1699-F1703 PolarHBondContact O-N 2.86Å; I1699-R1713 HydrophobicContact CD1-CB 3.82Å; I1699-R1713 HydrophobicContact CG1-CB 4.14Å; I1699-L1717 HydrophobicContact CD1-CD1 3.56Å |
| 1700 | Q | 82.8 | Confident | 82.1 | Confident | 90 Ų | 90 | 57.4 Ų | 57.4 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -53.3 | -39.3 | 171.6 | -78 | -179.6 | -21.2 | 0 | 0 | 111.3 | F1696 L1735 | F1696-Q1700 HydrophobicContact CD1-CG 4.47Å; F1696-Q1700 HydrophobicContact CE1-CG 4.26Å; F1696-Q1700 HydrophobicContact CE2-CG 4.49Å; F1696-Q1700 HydrophobicContact CZ-CG 4.27Å; F1696-Q1700 WeakPolarHBondContact O-CB 3.38Å; F1696-Q1700 WeakPolarHBondContact O-CG 2.94Å; F1696-Q1700 PolarHBondContact O-N 3.27Å; Q1700-L1735 HydrophobicContact CG-CD1 3.94Å |
| 1701 | K | 82 | Confident | 81.8 | Confident | 110 Ų | 110 | 57.7 Ų | 57.7 | 48% | 0.478 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -75.4 | -32.2 | 175 | -68.6 | 163.7 | -172.4 | 172.1 | 0 | 111.4 | E1646 I1697 E1698 I1699 S1704 | E1646-K1701 IonicContact OE1-NZ 2.69Å; E1646-K1701 PolarHBondContact OE1-NZ 2.81Å; I1697-K1701 HydrophobicContact CG2-CD 4.01Å; I1697-K1701 WeakPolarHBondContact O-CB 3.45Å; I1697-K1701 WeakPolarHBondContact O-CD 3.5Å; I1697-K1701 VanDerWaalsContact O-CG 3.27Å; I1697-K1701 WeakPolarHBondContact O-CG 3.34Å; I1697-K1701 PolarHBondContact O-N 3.31Å; E1698-K1701 CarbonylContact O-C 3.15Å; E1698-K1701 PolarHBondContact O-N 2.62Å; I1699-K1701 PolarHBondContact O-N 2.89Å; K1701-S1704 PolarHBondContact O-N 3.36Å; K1701-S1704 PolarHBondContact O-OG 3.09Å |
| 1702 | L | 84.1 | Confident | 81.6 | Confident | 26 Ų | 26 | 59.2 Ų | 59.2 | 14% | 0.136 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.2 | -32.8 | -178.4 | -148.7 | 151.1 | 0 | 0 | 0 | 113.8 | E1698 I1699 S1704 T1705 N1706 D1709 A1710 | E1698-L1702 WeakPolarHBondContact O-CB 3.18Å; E1698-L1702 PolarHBondContact O-N 3.05Å; I1699-L1702 WeakPolarHBondContact O-CA 3.3Å; I1699-L1702 WeakPolarHBondContact O-CB 3.5Å; I1699-L1702 PolarHBondContact O-N 2.82Å; L1702-S1704 PolarHBondContact O-N 3.24Å; L1702-T1705 WeakPolarHBondContact O-CA 3.45Å; L1702-T1705 PolarHBondContact O-N 2.87Å; L1702-T1705 PolarHBondContact O-OG1 2.86Å; L1702-N1706 HydrophobicContact CD2-CB 3.97Å; L1702-N1706 PolarHBondContact O-N 2.9Å; L1702-D1709 HydrophobicContact CD2-CB 4.07Å; L1702-A1710 HydrophobicContact CB-CB 4.44Å; L1702-A1710 HydrophobicContact CD2-CB 3.92Å |
| 1703 | F | 79.2 | Confident | 81.6 | Confident | 18 Ų | 18 | 62.7 Ų | 62.7 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -52.7 | -36.8 | 174 | -91.8 | -82.8 | 0 | 0 | 0 | 112.8 | I1699 T1705 A1710 M1711 C1714 L1735 E1739 | I1699-F1703 HydrophobicContact CG2-CD2 3.92Å; I1699-F1703 HydrophobicContact CG2-CE2 3.64Å; I1699-F1703 WeakPolarHBondContact O-CD2 3.48Å; I1699-F1703 PolarHBondContact O-N 2.86Å; F1703-T1705 PolarHBondContact O-N 3.03Å; F1703-T1705 VanDerWaalsContact O-N 3.13Å; F1703-A1710 HydrophobicContact CB-CB 4.28Å; F1703-A1710 HydrophobicContact CD1-CB 3.79Å; F1703-A1710 HydrophobicContact CD2-CB 3.5Å; F1703-A1710 VanDerWaalsContact CD2-CB 3.5Å; F1703-A1710 HydrophobicContact CE1-CB 3.88Å; F1703-A1710 HydrophobicContact CE2-CB 3.56Å; F1703-A1710 HydrophobicContact CG-CB 3.6Å; F1703-A1710 HydrophobicContact CZ-CB 3.75Å; F1703-M1711 HydrophobicContact CE1-CG 3.8Å; F1703-M1711 HydrophobicContact CE1-SD 3.9Å; F1703-M1711 HydrophobicContact CZ-CG 4.17Å; F1703-M1711 HydrophobicContact CZ-SD 4.06Å; F1703-C1714 HydrophobicContact CZ-CB 4.5Å; F1703-L1735 HydrophobicContact CD1-CD2 4.35Å; F1703-L1735 HydrophobicContact CD2-CD2 3.56Å; F1703-L1735 HydrophobicContact CE1-CD2 4.12Å; F1703-L1735 HydrophobicContact CE2-CD1 4.48Å; F1703-L1735 HydrophobicContact CE2-CD2 3.29Å; F1703-L1735 HydrophobicContact CG-CD2 4.11Å; F1703-L1735 HydrophobicContact CZ-CD2 3.6Å; F1703-E1739 HydrophobicContact CD1-CG 3.72Å; F1703-E1739 HydrophobicContact CE1-CB 4.22Å; F1703-E1739 HydrophobicContact CE1-CG 3.73Å |
| 1704 | S | 77.5 | Confident | 81.6 | Confident | 107 Ų | 107 | 62.7 Ų | 62.7 | 75% | 0.748 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -7.7 | 175.4 | 76.1 | 0 | 0 | 0 | 0 | 115.1 | K1701 L1702 | K1701-S1704 PolarHBondContact O-N 3.36Å; K1701-S1704 PolarHBondContact O-OG 3.09Å; L1702-S1704 PolarHBondContact O-N 3.24Å |
| 1705 | T | 78.8 | Confident | 81.4 | Confident | 92 Ų | 92 | 61.7 Ų | 61.7 | 56% | 0.564 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.2 | -36.4 | -172.4 | 67.4 | 0 | 0 | 0 | 0 | 114.5 | L1702 F1703 | L1702-T1705 WeakPolarHBondContact O-CA 3.45Å; L1702-T1705 PolarHBondContact O-N 2.87Å; L1702-T1705 PolarHBondContact O-OG1 2.86Å; F1703-T1705 PolarHBondContact O-N 3.03Å; F1703-T1705 VanDerWaalsContact O-N 3.13Å |
| 1706 | N | 79.5 | Confident | 81.3 | Confident | 94 Ų | 94 | 61.2 Ų | 61.2 | 50% | 0.503 | 32% | 0.316 | S | S | . | . | trans | -155 | 86.6 | -178.2 | -100.8 | -37.5 | 0 | 0 | 0 | 109.6 | L1702 I1708 D1709 A1710 | L1702-N1706 HydrophobicContact CD2-CB 3.97Å; L1702-N1706 PolarHBondContact O-N 2.9Å; N1706-I1708 PolarHBondContact O-N 3.43Å; N1706-D1709 HydrophobicContact CB-CB 4.04Å; N1706-D1709 PolarHBondContact O-N 2.95Å; N1706-A1710 WeakPolarHBondContact O-CB 3.21Å; N1706-A1710 PolarHBondContact O-N 2.85Å | ||
| 1707 | P | 75.3 | Confident | 81.1 | Confident | 56 Ų | 56 | 61.4 Ų | 61.4 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.5 | -29.2 | -176.5 | 24.2 | -34 | 0 | 0 | 0 | 112.8 | M1711 | P1707-M1711 WeakPolarHBondContact O-CB 3.49Å; P1707-M1711 WeakPolarHBondContact O-CG 3.31Å; P1707-M1711 PolarHBondContact O-N 2.87Å |
| 1708 | I | 75.2 | Confident | 80.9 | Confident | 122 Ų | 122 | 61.1 Ų | 61.1 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.9 | -45.2 | 178.9 | -55.6 | 174.7 | 0 | 0 | 0 | 111.4 | N1706 Q1712 | N1706-I1708 PolarHBondContact O-N 3.43Å; I1708-Q1712 WeakPolarHBondContact O-CB 3.31Å; I1708-Q1712 VanDerWaalsContact O-CG 3.29Å; I1708-Q1712 WeakPolarHBondContact O-CG 3.35Å; I1708-Q1712 PolarHBondContact O-N 3.25Å |
| 1709 | D | 81.7 | Confident | 80.5 | Confident | 48 Ų | 48 | 62.5 Ų | 62.5 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.7 | -41.9 | 175.5 | -178.2 | 22 | 0 | 0 | 0 | 110.3 | L1702 N1706 M1711 Q1712 R1713 | L1702-D1709 HydrophobicContact CD2-CB 4.07Å; N1706-D1709 HydrophobicContact CB-CB 4.04Å; N1706-D1709 PolarHBondContact O-N 2.95Å; D1709-M1711 PolarHBondContact O-N 3.38Å; D1709-Q1712 PolarHBondContact O-N 2.9Å; D1709-R1713 VanDerWaalsContact CG-NE 3.33Å; D1709-R1713 WeakPolarHBondContact O-CB 3.42Å; D1709-R1713 VanDerWaalsContact O-CG 3.29Å; D1709-R1713 WeakPolarHBondContact O-CG 3.34Å; D1709-R1713 PolarHBondContact O-N 3.17Å; D1709-R1713 IonicContact OD1-CZ 2.74Å; D1709-R1713 IonicContact OD1-NE 3.79Å; D1709-R1713 PolarHBondContact OD1-NE 2.81Å; D1709-R1713 IonicContact OD1-NH2 3.92Å; D1709-R1713 PolarHBondContact OD1-NH2 2.94Å; D1709-R1713 IonicContact OD2-CZ 2.77Å; D1709-R1713 IonicContact OD2-NE 3.22Å; D1709-R1713 PolarHBondContact OD2-NE 3.27Å; D1709-R1713 IonicContact OD2-NH2 3.44Å; D1709-R1713 PolarHBondContact OD2-NH2 2.91Å |
| 1710 | A | 79 | Confident | 80.2 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64 | -41.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1702 F1703 N1706 R1713 C1714 | L1702-A1710 HydrophobicContact CB-CB 4.44Å; L1702-A1710 HydrophobicContact CD2-CB 3.92Å; F1703-A1710 HydrophobicContact CB-CB 4.28Å; F1703-A1710 HydrophobicContact CD1-CB 3.79Å; F1703-A1710 HydrophobicContact CD2-CB 3.5Å; F1703-A1710 VanDerWaalsContact CD2-CB 3.5Å; F1703-A1710 HydrophobicContact CE1-CB 3.88Å; F1703-A1710 HydrophobicContact CE2-CB 3.56Å; F1703-A1710 HydrophobicContact CG-CB 3.6Å; F1703-A1710 HydrophobicContact CZ-CB 3.75Å; N1706-A1710 WeakPolarHBondContact O-CB 3.21Å; N1706-A1710 PolarHBondContact O-N 2.85Å; A1710-R1713 PolarHBondContact O-N 3.45Å; A1710-C1714 WeakPolarHBondContact O-CB 3.13Å; A1710-C1714 PolarHBondContact O-N 2.78Å |
| 1711 | M | 79.5 | Confident | 79.5 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 12% | 0.123 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64 | -46.2 | 172.1 | -75.1 | -73.6 | -75.5 | 0 | 0 | 111.7 | F1703 P1707 D1709 R1713 C1714 H1715 I1736 L1740 | F1703-M1711 HydrophobicContact CE1-CG 3.8Å; F1703-M1711 HydrophobicContact CE1-SD 3.9Å; F1703-M1711 HydrophobicContact CZ-CG 4.17Å; F1703-M1711 HydrophobicContact CZ-SD 4.06Å; P1707-M1711 WeakPolarHBondContact O-CB 3.49Å; P1707-M1711 WeakPolarHBondContact O-CG 3.31Å; P1707-M1711 PolarHBondContact O-N 2.87Å; D1709-M1711 PolarHBondContact O-N 3.38Å; M1711-R1713 VanDerWaalsContact C-N 3.32Å; M1711-R1713 PolarHBondContact O-N 2.77Å; M1711-C1714 PolarHBondContact O-N 2.93Å; M1711-H1715 PolarHBondContact O-CD2 3.45Å; M1711-H1715 PolarHBondContact O-N 2.92Å; M1711-I1736 HydrophobicContact CE-CG2 4.09Å; M1711-I1736 HydrophobicContact SD-CG1 4.27Å; M1711-I1736 HydrophobicContact SD-CG2 4.35Å; M1711-L1740 HydrophobicContact CE-CD1 4.34Å; M1711-L1740 HydrophobicContact CE-CD2 3.73Å; M1711-L1740 HydrophobicContact CE-CG 3.92Å |
| 1712 | Q | 80.8 | Confident | 78.8 | Confident | 123 Ų | 123 | 62.2 Ų | 62.2 | 58% | 0.575 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.4 | -44.6 | 175.4 | -78.2 | 178 | -4.1 | 0 | 0 | 111.4 | I1708 D1709 H1715 T1716 | I1708-Q1712 WeakPolarHBondContact O-CB 3.31Å; I1708-Q1712 VanDerWaalsContact O-CG 3.29Å; I1708-Q1712 WeakPolarHBondContact O-CG 3.35Å; I1708-Q1712 PolarHBondContact O-N 3.25Å; D1709-Q1712 PolarHBondContact O-N 2.9Å; Q1712-H1715 PolarHBondContact O-N 2.62Å; Q1712-T1716 WeakPolarHBondContact O-CG2 3.27Å; Q1712-T1716 PolarHBondContact O-N 3.2Å; Q1712-T1716 PolarHBondContact O-OG1 2.84Å |
| 1713 | R | 84 | Confident | 77.7 | Confident | 91 Ų | 91 | 70.8 Ų | 70.8 | 34% | 0.343 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.1 | -49.1 | 174.2 | -71.7 | 177.6 | -159.1 | -147.6 | 6.2 | 111.7 | I1699 D1709 A1710 M1711 H1715 T1716 L1717 | I1699-R1713 HydrophobicContact CD1-CB 3.82Å; I1699-R1713 HydrophobicContact CG1-CB 4.14Å; D1709-R1713 VanDerWaalsContact CG-NE 3.33Å; D1709-R1713 WeakPolarHBondContact O-CB 3.42Å; D1709-R1713 VanDerWaalsContact O-CG 3.29Å; D1709-R1713 WeakPolarHBondContact O-CG 3.34Å; D1709-R1713 PolarHBondContact O-N 3.17Å; D1709-R1713 IonicContact OD1-CZ 2.74Å; D1709-R1713 IonicContact OD1-NE 3.79Å; D1709-R1713 PolarHBondContact OD1-NE 2.81Å; D1709-R1713 IonicContact OD1-NH2 3.92Å; D1709-R1713 PolarHBondContact OD1-NH2 2.94Å; D1709-R1713 IonicContact OD2-CZ 2.77Å; D1709-R1713 IonicContact OD2-NE 3.22Å; D1709-R1713 PolarHBondContact OD2-NE 3.27Å; D1709-R1713 IonicContact OD2-NH2 3.44Å; D1709-R1713 PolarHBondContact OD2-NH2 2.91Å; A1710-R1713 PolarHBondContact O-N 3.45Å; M1711-R1713 VanDerWaalsContact C-N 3.32Å; M1711-R1713 PolarHBondContact O-N 2.77Å; R1713-H1715 VanDerWaalsContact C-N 3.32Å; R1713-H1715 PolarHBondContact O-N 3.4Å; R1713-T1716 WeakPolarHBondContact CA-OG1 3.45Å; R1713-T1716 CarbonylContact O-C 3.19Å; R1713-T1716 PolarHBondContact O-N 3.08Å; R1713-T1716 VanDerWaalsContact O-N 3.11Å; R1713-T1716 PolarHBondContact O-OG1 3.38Å; R1713-L1717 WeakPolarHBondContact O-CB 3.4Å; R1713-L1717 PolarHBondContact O-N 2.86Å |
| 1714 | C | 84.1 | Confident | 76.9 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -56.5 | -41.3 | 176.1 | -89.1 | 0 | 0 | 0 | 0 | 113.1 | F1703 A1710 M1711 L1717 L1718 I1732 I1736 | F1703-C1714 HydrophobicContact CZ-CB 4.5Å; A1710-C1714 WeakPolarHBondContact O-CB 3.13Å; A1710-C1714 PolarHBondContact O-N 2.78Å; M1711-C1714 PolarHBondContact O-N 2.93Å; C1714-L1717 PolarHBondContact O-N 3.26Å; C1714-L1718 WeakPolarHBondContact O-CG 3.38Å; C1714-L1718 PolarHBondContact O-N 2.7Å; C1714-I1732 HydrophobicContact CB-CG2 4.05Å; C1714-I1736 HydrophobicContact CB-CD1 3.95Å; C1714-I1736 HydrophobicContact CB-CG1 3.95Å |
| 1715 | H | 82.3 | Confident | 76.5 | Confident | 78 Ų | 78 | 73.9 Ų | 73.9 | 36% | 0.361 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64 | -48 | 172.5 | -73.6 | -64.7 | 0 | 0 | 0 | 111.6 | M1711 Q1712 R1713 L1717 L1718 E1719 | M1711-H1715 PolarHBondContact O-CD2 3.45Å; M1711-H1715 PolarHBondContact O-N 2.92Å; Q1712-H1715 PolarHBondContact O-N 2.62Å; R1713-H1715 VanDerWaalsContact C-N 3.32Å; R1713-H1715 PolarHBondContact O-N 3.4Å; H1715-L1717 PolarHBondContact O-N 2.93Å; H1715-L1718 CarbonylContact O-C 3.5Å; H1715-L1718 PolarHBondContact O-N 3.02Å; H1715-L1718 VanDerWaalsContact O-N 3.14Å; H1715-E1719 WeakPolarHBondContact O-CG 3.33Å; H1715-E1719 PolarHBondContact O-N 3.4Å |
| 1716 | T | 82.3 | Confident | 76.2 | Confident | 66 Ų | 66 | 71.1 Ų | 71.1 | 41% | 0.405 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.6 | -27.2 | 175.1 | 59.9 | 0 | 0 | 0 | 0 | 113 | Q1712 R1713 E1719 N1720 | Q1712-T1716 WeakPolarHBondContact O-CG2 3.27Å; Q1712-T1716 PolarHBondContact O-N 3.2Å; Q1712-T1716 PolarHBondContact O-OG1 2.84Å; R1713-T1716 WeakPolarHBondContact CA-OG1 3.45Å; R1713-T1716 CarbonylContact O-C 3.19Å; R1713-T1716 PolarHBondContact O-N 3.08Å; R1713-T1716 VanDerWaalsContact O-N 3.11Å; R1713-T1716 PolarHBondContact O-OG1 3.38Å; T1716-E1719 PolarHBondContact O-N 3.2Å; T1716-N1720 WeakPolarHBondContact O-CB 3.04Å; T1716-N1720 PolarHBondContact O-N 2.93Å; T1716-N1720 PolarHBondContact O-ND2 2.83Å |
| 1717 | L | 82 | Confident | 76.2 | Confident | 8 Ų | 8 | 66.7 Ų | 66.7 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -74 | -42.4 | 174.5 | -124.6 | 164.2 | 0 | 0 | 0 | 110.7 | L1692 E1695 I1699 R1713 C1714 H1715 E1719 N1720 I1721 L1727 I1732 | L1692-L1717 HydrophobicContact CD2-CD2 4.23Å; E1695-L1717 HydrophobicContact CG-CD1 4.3Å; I1699-L1717 HydrophobicContact CD1-CD1 3.56Å; R1713-L1717 WeakPolarHBondContact O-CB 3.4Å; R1713-L1717 PolarHBondContact O-N 2.86Å; C1714-L1717 PolarHBondContact O-N 3.26Å; H1715-L1717 PolarHBondContact O-N 2.93Å; L1717-E1719 PolarHBondContact O-N 3.43Å; L1717-N1720 PolarHBondContact O-N 3.08Å; L1717-N1720 VanDerWaalsContact O-N 3.14Å; L1717-I1721 HydrophobicContact CD2-CD1 3.75Å; L1717-I1721 HydrophobicContact CD2-CG1 3.85Å; L1717-I1721 WeakPolarHBondContact O-CB 3.33Å; L1717-I1721 WeakPolarHBondContact O-CD1 3.18Å; L1717-I1721 VanDerWaalsContact O-CG1 3.23Å; L1717-I1721 WeakPolarHBondContact O-CG1 3.31Å; L1717-I1721 PolarHBondContact O-N 2.97Å; L1717-L1727 HydrophobicContact CD1-CD1 4.19Å; L1717-L1727 HydrophobicContact CD2-CD1 3.6Å; L1717-I1732 HydrophobicContact CD2-CD1 4.28Å |
| 1718 | L | 80.8 | Confident | 76.2 | Confident | 7 Ų | 7 | 65.9 Ų | 65.9 | 4% | 0.037 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.6 | -17.5 | 171.6 | -76.2 | 177.8 | 0 | 0 | 0 | 114.7 | C1714 H1715 P1729 I1732 Y1733 I1736 R1759 | C1714-L1718 WeakPolarHBondContact O-CG 3.38Å; C1714-L1718 PolarHBondContact O-N 2.7Å; H1715-L1718 CarbonylContact O-C 3.5Å; H1715-L1718 PolarHBondContact O-N 3.02Å; H1715-L1718 VanDerWaalsContact O-N 3.14Å; L1718-P1729 HydrophobicContact CD2-CB 3.96Å; L1718-I1732 HydrophobicContact CD1-CG2 4.03Å; L1718-I1732 HydrophobicContact CD2-CB 4.08Å; L1718-I1732 HydrophobicContact CD2-CG2 4.01Å; L1718-I1732 HydrophobicContact CG-CB 4.34Å; L1718-I1732 HydrophobicContact CG-CG2 3.7Å; L1718-Y1733 HydrophobicContact CD1-CD1 4.07Å; L1718-Y1733 HydrophobicContact CD1-CD2 4.13Å; L1718-Y1733 HydrophobicContact CD1-CE1 3.84Å; L1718-Y1733 HydrophobicContact CD1-CE2 3.87Å; L1718-Y1733 HydrophobicContact CD1-CG 4.21Å; L1718-Y1733 HydrophobicContact CD2-CD2 3.88Å; L1718-Y1733 HydrophobicContact CD2-CE2 3.75Å; L1718-Y1733 HydrophobicContact CG-CE2 4.44Å; L1718-I1736 HydrophobicContact CD1-CD1 3.41Å; L1718-I1736 VanDerWaalsContact CD1-CD1 3.41Å; L1718-I1736 HydrophobicContact CG-CD1 4.48Å; L1718-R1759 PolarHBondContact O-NH1 2.69Å |
| 1719 | E | 78 | Confident | 76.4 | Confident | 149 Ų | 149 | 62 Ų | 62 | 70% | 0.696 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -85.1 | -33.1 | 169.2 | -71.9 | 175.2 | 167 | 0 | 0 | 112.5 | H1715 T1716 L1717 | H1715-E1719 WeakPolarHBondContact O-CG 3.33Å; H1715-E1719 PolarHBondContact O-N 3.4Å; T1716-E1719 PolarHBondContact O-N 3.2Å; L1717-E1719 PolarHBondContact O-N 3.43Å |
| 1720 | N | 74.2 | Confident | 76.3 | Confident | 124 Ų | 124 | 59.8 Ų | 59.8 | 66% | 0.663 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -94.8 | -10.8 | -176.5 | -76.8 | -66.4 | 0 | 0 | 0 | 115 | T1716 L1717 G1722 | T1716-N1720 WeakPolarHBondContact O-CB 3.04Å; T1716-N1720 PolarHBondContact O-N 2.93Å; T1716-N1720 PolarHBondContact O-ND2 2.83Å; L1717-N1720 PolarHBondContact O-N 3.08Å; L1717-N1720 VanDerWaalsContact O-N 3.14Å; N1720-G1722 PolarHBondContact O-N 3.03Å |
| 1721 | I | 69.2 | Low | 76.4 | Confident | 37 Ų | 37 | 61.1 Ų | 61.1 | 19% | 0.19 | 31% | 0.313 | C | S | . | . | trans | -68.4 | 114.9 | 176.1 | -82.3 | 161.8 | 0 | 0 | 0 | 110.4 | L1717 D1725 L1727 I1732 | L1717-I1721 HydrophobicContact CD2-CD1 3.75Å; L1717-I1721 HydrophobicContact CD2-CG1 3.85Å; L1717-I1721 WeakPolarHBondContact O-CB 3.33Å; L1717-I1721 WeakPolarHBondContact O-CD1 3.18Å; L1717-I1721 VanDerWaalsContact O-CG1 3.23Å; L1717-I1721 WeakPolarHBondContact O-CG1 3.31Å; L1717-I1721 PolarHBondContact O-N 2.97Å; I1721-D1725 HydrophobicContact CG2-CB 4.48Å; I1721-L1727 HydrophobicContact CD1-CB 3.94Å; I1721-L1727 HydrophobicContact CG1-CB 4.49Å; I1721-I1732 HydrophobicContact CD1-CD1 3.31Å | ||
| 1722 | G | 66.1 | Low | 76.6 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 37% | 0.371 | 31% | 0.308 | S | S | . | . | trans | -79.4 | 166.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N1720 D1724 D1725 | N1720-G1722 PolarHBondContact O-N 3.03Å; G1722-D1724 PolarHBondContact O-N 3.48Å; G1722-D1724 VanDerWaalsContact O-N 3.09Å; G1722-D1725 PolarHBondContact N-OD2 2.98Å; G1722-D1725 PolarHBondContact O-N 3.38Å | ||
| 1723 | Q | 62.5 | Low | 76.8 | Confident | 206 Ų | 206 | 54.2 Ų | 54.2 | 96% | 0.963 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -16.9 | 176.9 | -69.2 | 177.6 | -35.1 | 0 | 0 | 113.7 | ||
| 1724 | D | 61.1 | Low | 76.8 | Confident | 158 Ų | 158 | 50.2 Ų | 50.2 | 85% | 0.845 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 4.9 | -179.1 | -59.4 | -42.3 | 0 | 0 | 0 | 114.4 | G1722 | G1722-D1724 PolarHBondContact O-N 3.48Å; G1722-D1724 VanDerWaalsContact O-N 3.09Å |
| 1725 | D | 70.1 | Confident | 76.8 | Confident | 32 Ų | 32 | 51.3 Ų | 51.3 | 17% | 0.171 | 27% | 0.273 | C | S | . | . | trans | -83.8 | 147.8 | -178.1 | -82.3 | -50.4 | 0 | 0 | 0 | 113.3 | K1688 L1692 I1721 G1722 L1727 | K1688-D1725 WeakPolarHBondContact CE-OD1 3.19Å; K1688-D1725 IonicContact NZ-OD1 3.35Å; K1688-D1725 PolarHBondContact NZ-OD1 3.39Å; K1688-D1725 IonicContact NZ-OD2 2.65Å; K1688-D1725 PolarHBondContact NZ-OD2 3.28Å; L1692-D1725 HydrophobicContact CD1-CB 4.2Å; L1692-D1725 VanDerWaalsContact CD1-OD1 3.3Å; L1692-D1725 WeakPolarHBondContact CD1-OD1 3.5Å; I1721-D1725 HydrophobicContact CG2-CB 4.48Å; G1722-D1725 PolarHBondContact N-OD2 2.98Å; G1722-D1725 PolarHBondContact O-N 3.38Å; D1725-L1727 VanDerWaalsContact C-N 3.28Å; D1725-L1727 PolarHBondContact O-N 3.14Å | ||
| 1726 | V | 73.4 | Confident | 76.9 | Confident | 33 Ų | 33 | 47.6 Ų | 47.6 | 20% | 0.2 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -71.1 | -20.9 | -174.4 | 162.1 | 0 | 0 | 0 | 0 | 113.7 | I1639 K1689 K1728 | I1639-V1726 HydrophobicContact CD1-CG1 3.47Å; I1639-V1726 VanDerWaalsContact CD1-CG1 3.47Å; K1689-V1726 HydrophobicContact CB-CG2 4.07Å; K1689-V1726 HydrophobicContact CD-CG2 3.58Å; K1689-V1726 HydrophobicContact CG-CB 4.36Å; K1689-V1726 HydrophobicContact CG-CG2 3.53Å; V1726-K1728 PolarHBondContact O-N 2.99Å |
| 1727 | L | 78.4 | Confident | 77 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -82.4 | 112 | 175.1 | -75.9 | 166.4 | 0 | 0 | 0 | 109.9 | Y1645 L1692 F1696 L1717 I1721 D1725 I1732 | Y1645-L1727 HydrophobicContact CD1-CD2 4.32Å; Y1645-L1727 HydrophobicContact CE1-CD2 3.52Å; L1692-L1727 HydrophobicContact CB-CD1 3.91Å; L1692-L1727 HydrophobicContact CB-CG 4.46Å; L1692-L1727 HydrophobicContact CD2-CD1 4.32Å; F1696-L1727 HydrophobicContact CB-CD1 3.96Å; F1696-L1727 HydrophobicContact CB-CD2 3.44Å; F1696-L1727 VanDerWaalsContact CB-CD2 3.44Å; F1696-L1727 HydrophobicContact CB-CG 4.33Å; F1696-L1727 HydrophobicContact CD1-CD2 3.56Å; F1696-L1727 HydrophobicContact CD2-CD2 3.88Å; F1696-L1727 HydrophobicContact CE1-CD2 4.22Å; F1696-L1727 HydrophobicContact CG-CD2 3.36Å; L1717-L1727 HydrophobicContact CD1-CD1 4.19Å; L1717-L1727 HydrophobicContact CD2-CD1 3.6Å; I1721-L1727 HydrophobicContact CD1-CB 3.94Å; I1721-L1727 HydrophobicContact CG1-CB 4.49Å; D1725-L1727 VanDerWaalsContact C-N 3.28Å; D1725-L1727 PolarHBondContact O-N 3.14Å; L1727-I1732 HydrophobicContact CB-CD1 4.01Å; L1727-I1732 HydrophobicContact CD1-CD1 4.44Å |
| 1728 | K | 75.6 | Confident | 77.1 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 17% | 0.17 | 25% | 0.25 | C | S | . | . | trans | -66 | 131.2 | 175.6 | -63.5 | 176.3 | 175.8 | -177.6 | 0 | 109 | E1640 V1726 G1730 D1731 I1732 Y1768 | E1640-K1728 WeakPolarHBondContact OE1-CE 3.35Å; E1640-K1728 IonicContact OE1-NZ 2.75Å; E1640-K1728 PolarHBondContact OE1-NZ 2.74Å; V1726-K1728 PolarHBondContact O-N 2.99Å; K1728-G1730 PolarHBondContact O-N 2.97Å; K1728-G1730 VanDerWaalsContact O-N 3.16Å; K1728-D1731 HydrophobicContact CB-CB 4.41Å; K1728-D1731 PolarHBondContact O-N 2.98Å; K1728-D1731 VanDerWaalsContact O-N 3.07Å; K1728-I1732 PolarHBondContact O-N 3.38Å; K1728-Y1768 HydrophobicContact CB-CE1 4.23Å; K1728-Y1768 HydrophobicContact CD-CE1 3.9Å | ||
| 1729 | P | 79.5 | Confident | 77.1 | Confident | 42 Ų | 42 | 51.1 Ų | 51.1 | 27% | 0.273 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.3 | -28 | 173.3 | 25.1 | -33.4 | 0 | 0 | 0 | 111 | L1718 D1731 I1732 Y1733 I1760 | L1718-P1729 HydrophobicContact CD2-CB 3.96Å; P1729-D1731 PolarHBondContact O-N 3.18Å; P1729-I1732 PolarHBondContact O-N 3.19Å; P1729-Y1733 HydrophobicContact CB-CD2 4.31Å; P1729-Y1733 WeakPolarHBondContact O-CB 3.36Å; P1729-Y1733 VanDerWaalsContact O-CD2 3.24Å; P1729-Y1733 WeakPolarHBondContact O-CD2 3.23Å; P1729-Y1733 PolarHBondContact O-N 3.11Å; P1729-I1760 HydrophobicContact CB-CD1 4.32Å; P1729-I1760 HydrophobicContact CG-CD1 4.14Å; P1729-I1760 HydrophobicContact CG-CG1 4.43Å |
| 1730 | G | 79.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -37.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1728 S1734 I1760 Y1768 | K1728-G1730 PolarHBondContact O-N 2.97Å; K1728-G1730 VanDerWaalsContact O-N 3.16Å; G1730-S1734 VanDerWaalsContact O-CB 3.23Å; G1730-S1734 WeakPolarHBondContact O-CB 3.47Å; G1730-S1734 PolarHBondContact O-N 2.79Å; G1730-I1760 VanDerWaalsContact N-CD1 3.3Å; G1730-Y1768 VanDerWaalsContact C-CD1 3.47Å |
| 1731 | D | 81.6 | Confident | 77.7 | Confident | 28 Ų | 28 | 38.9 Ų | 38.9 | 15% | 0.15 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.4 | -46 | 176.8 | -64.4 | -15.8 | 0 | 0 | 0 | 110.3 | Y1645 F1696 K1728 P1729 S1734 L1735 Y1768 | Y1645-D1731 PolarHBondContact OH-OD2 3.08Å; F1696-D1731 HydrophobicContact CZ-CB 4.37Å; K1728-D1731 HydrophobicContact CB-CB 4.41Å; K1728-D1731 PolarHBondContact O-N 2.98Å; K1728-D1731 VanDerWaalsContact O-N 3.07Å; P1729-D1731 PolarHBondContact O-N 3.18Å; D1731-S1734 PolarHBondContact O-N 3.25Å; D1731-S1734 PolarHBondContact O-OG 2.9Å; D1731-L1735 WeakPolarHBondContact O-CB 3.4Å; D1731-L1735 PolarHBondContact O-N 3.28Å; D1731-Y1768 WeakPolarHBondContact OD1-CD1 3.21Å; D1731-Y1768 WeakPolarHBondContact OD1-CE1 3.49Å |
| 1732 | I | 84.2 | Confident | 78.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.9 | -40.5 | -179.7 | -63.4 | 158.6 | 0 | 0 | 0 | 111.6 | F1696 C1714 L1717 L1718 I1721 L1727 K1728 P1729 S1734 L1735 I1736 | F1696-I1732 HydrophobicContact CD2-CG1 4.08Å; F1696-I1732 HydrophobicContact CE2-CG1 3.64Å; F1696-I1732 HydrophobicContact CZ-CG1 4.43Å; C1714-I1732 HydrophobicContact CB-CG2 4.05Å; L1717-I1732 HydrophobicContact CD2-CD1 4.28Å; L1718-I1732 HydrophobicContact CD1-CG2 4.03Å; L1718-I1732 HydrophobicContact CD2-CB 4.08Å; L1718-I1732 HydrophobicContact CD2-CG2 4.01Å; L1718-I1732 HydrophobicContact CG-CB 4.34Å; L1718-I1732 HydrophobicContact CG-CG2 3.7Å; I1721-I1732 HydrophobicContact CD1-CD1 3.31Å; L1727-I1732 HydrophobicContact CB-CD1 4.01Å; L1727-I1732 HydrophobicContact CD1-CD1 4.44Å; K1728-I1732 PolarHBondContact O-N 3.38Å; P1729-I1732 PolarHBondContact O-N 3.19Å; I1732-S1734 VanDerWaalsContact C-N 3.32Å; I1732-S1734 PolarHBondContact O-N 3.14Å; I1732-L1735 WeakPolarHBondContact O-CB 3.35Å; I1732-L1735 PolarHBondContact O-N 2.87Å; I1732-I1736 HydrophobicContact CG2-CD1 4.07Å; I1732-I1736 HydrophobicContact CG2-CG1 4.46Å; I1732-I1736 WeakPolarHBondContact O-CG1 3.24Å; I1732-I1736 PolarHBondContact O-N 3.21Å |
| 1733 | Y | 85 | Confident | 78.8 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.1 | -37.8 | 170.5 | -86.4 | -67.9 | 0 | 0 | 0 | 111.2 | L1718 P1729 L1735 I1736 I1737 C1752 E1755 M1756 R1759 | L1718-Y1733 HydrophobicContact CD1-CD1 4.07Å; L1718-Y1733 HydrophobicContact CD1-CD2 4.13Å; L1718-Y1733 HydrophobicContact CD1-CE1 3.84Å; L1718-Y1733 HydrophobicContact CD1-CE2 3.87Å; L1718-Y1733 HydrophobicContact CD1-CG 4.21Å; L1718-Y1733 HydrophobicContact CD2-CD2 3.88Å; L1718-Y1733 HydrophobicContact CD2-CE2 3.75Å; L1718-Y1733 HydrophobicContact CG-CE2 4.44Å; P1729-Y1733 HydrophobicContact CB-CD2 4.31Å; P1729-Y1733 WeakPolarHBondContact O-CB 3.36Å; P1729-Y1733 VanDerWaalsContact O-CD2 3.24Å; P1729-Y1733 WeakPolarHBondContact O-CD2 3.23Å; P1729-Y1733 PolarHBondContact O-N 3.11Å; Y1733-L1735 VanDerWaalsContact C-N 3.28Å; Y1733-L1735 PolarHBondContact O-N 3.19Å; Y1733-I1736 PolarHBondContact O-N 3.49Å; Y1733-I1737 WeakPolarHBondContact O-CB 3.4Å; Y1733-I1737 WeakPolarHBondContact O-CD1 3.34Å; Y1733-I1737 WeakPolarHBondContact O-CG1 3.39Å; Y1733-I1737 PolarHBondContact O-N 2.84Å; Y1733-C1752 HydrophobicContact CD1-CB 4.32Å; Y1733-C1752 HydrophobicContact CE1-CB 4.41Å; Y1733-E1755 HydrophobicContact CE1-CB 4.05Å; Y1733-E1755 PolarHBondContact OH-OE2 2.6Å; Y1733-M1756 HydrophobicContact CD1-CB 4.33Å; Y1733-M1756 HydrophobicContact CD2-CB 4.34Å; Y1733-M1756 HydrophobicContact CD2-CG 4.41Å; Y1733-M1756 HydrophobicContact CG-CB 4.07Å; Y1733-M1756 HydrophobicContact CG-CG 4.23Å; Y1733-R1759 WeakPolarHBondContact OH-CD 3.37Å; Y1733-R1759 PolarHBondContact OH-NE 2.87Å |
| 1734 | S | 83.5 | Confident | 79.3 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 5% | 0.049 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.8 | -35.5 | 174.5 | 83.2 | 0 | 0 | 0 | 0 | 112.2 | G1730 D1731 I1732 R1738 Y1768 | G1730-S1734 VanDerWaalsContact O-CB 3.23Å; G1730-S1734 WeakPolarHBondContact O-CB 3.47Å; G1730-S1734 PolarHBondContact O-N 2.79Å; D1731-S1734 PolarHBondContact O-N 3.25Å; D1731-S1734 PolarHBondContact O-OG 2.9Å; I1732-S1734 VanDerWaalsContact C-N 3.32Å; I1732-S1734 PolarHBondContact O-N 3.14Å; S1734-R1738 WeakPolarHBondContact O-CB 3.42Å; S1734-R1738 WeakPolarHBondContact O-CD 3.33Å; S1734-R1738 WeakPolarHBondContact O-CG 3.34Å; S1734-R1738 PolarHBondContact O-N 3.01Å; S1734-R1738 PolarHBondContact OG-NH1 2.97Å; S1734-Y1768 VanDerWaalsContact CB-O 3.29Å; S1734-Y1768 WeakPolarHBondContact CB-O 3.41Å |
| 1735 | L | 84.2 | Confident | 80.2 | Confident | 24 Ų | 24 | 40.1 Ų | 40.1 | 13% | 0.126 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.7 | -52.6 | 176.7 | -157.2 | 170.4 | 0 | 0 | 0 | 109.9 | F1696 Q1700 F1703 D1731 I1732 Y1733 I1737 R1738 E1739 | F1696-L1735 HydrophobicContact CE2-CD1 3.69Å; F1696-L1735 HydrophobicContact CZ-CD1 3.93Å; Q1700-L1735 HydrophobicContact CG-CD1 3.94Å; F1703-L1735 HydrophobicContact CD1-CD2 4.35Å; F1703-L1735 HydrophobicContact CD2-CD2 3.56Å; F1703-L1735 HydrophobicContact CE1-CD2 4.12Å; F1703-L1735 HydrophobicContact CE2-CD1 4.48Å; F1703-L1735 HydrophobicContact CE2-CD2 3.29Å; F1703-L1735 HydrophobicContact CG-CD2 4.11Å; F1703-L1735 HydrophobicContact CZ-CD2 3.6Å; D1731-L1735 WeakPolarHBondContact O-CB 3.4Å; D1731-L1735 PolarHBondContact O-N 3.28Å; I1732-L1735 WeakPolarHBondContact O-CB 3.35Å; I1732-L1735 PolarHBondContact O-N 2.87Å; Y1733-L1735 VanDerWaalsContact C-N 3.28Å; Y1733-L1735 PolarHBondContact O-N 3.19Å; L1735-I1737 VanDerWaalsContact C-N 3.33Å; L1735-I1737 PolarHBondContact O-N 2.86Å; L1735-R1738 PolarHBondContact O-N 3.26Å; L1735-E1739 HydrophobicContact CD2-CG 4.06Å; L1735-E1739 WeakPolarHBondContact O-CG 3.26Å; L1735-E1739 PolarHBondContact O-N 2.82Å |
| 1736 | I | 83.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56 | -44.6 | 174.5 | -69.6 | 170.9 | 0 | 0 | 0 | 111.6 | M1711 C1714 L1718 I1732 Y1733 E1739 L1740 | M1711-I1736 HydrophobicContact CE-CG2 4.09Å; M1711-I1736 HydrophobicContact SD-CG1 4.27Å; M1711-I1736 HydrophobicContact SD-CG2 4.35Å; C1714-I1736 HydrophobicContact CB-CD1 3.95Å; C1714-I1736 HydrophobicContact CB-CG1 3.95Å; L1718-I1736 HydrophobicContact CD1-CD1 3.41Å; L1718-I1736 VanDerWaalsContact CD1-CD1 3.41Å; L1718-I1736 HydrophobicContact CG-CD1 4.48Å; I1732-I1736 HydrophobicContact CG2-CD1 4.07Å; I1732-I1736 HydrophobicContact CG2-CG1 4.46Å; I1732-I1736 WeakPolarHBondContact O-CG1 3.24Å; I1732-I1736 PolarHBondContact O-N 3.21Å; Y1733-I1736 PolarHBondContact O-N 3.49Å; I1736-E1739 PolarHBondContact O-N 2.88Å; I1736-L1740 HydrophobicContact CG2-CD1 3.63Å; I1736-L1740 HydrophobicContact CG2-CG 4.16Å; I1736-L1740 WeakPolarHBondContact O-CB 3.43Å; I1736-L1740 WeakPolarHBondContact O-CG 3.28Å; I1736-L1740 PolarHBondContact O-N 3.49Å |
| 1737 | I | 84 | Confident | 80.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -73.1 | -37.4 | -176.8 | -69.3 | 164.8 | 0 | 0 | 0 | 110.9 | Y1733 L1735 E1739 V1741 C1752 L1753 M1756 L1769 I1773 I1777 | Y1733-I1737 WeakPolarHBondContact O-CB 3.4Å; Y1733-I1737 WeakPolarHBondContact O-CD1 3.34Å; Y1733-I1737 WeakPolarHBondContact O-CG1 3.39Å; Y1733-I1737 PolarHBondContact O-N 2.84Å; L1735-I1737 VanDerWaalsContact C-N 3.33Å; L1735-I1737 PolarHBondContact O-N 2.86Å; I1737-E1739 VanDerWaalsContact C-N 3.33Å; I1737-E1739 PolarHBondContact O-N 3.32Å; I1737-V1741 HydrophobicContact CG2-CG2 4.31Å; I1737-V1741 WeakPolarHBondContact O-CB 3.49Å; I1737-V1741 WeakPolarHBondContact O-CG2 3.48Å; I1737-V1741 PolarHBondContact O-N 2.71Å; I1737-C1752 HydrophobicContact CD1-CB 4.13Å; I1737-C1752 HydrophobicContact CG1-CB 3.8Å; I1737-L1753 HydrophobicContact CD1-CB 4.33Å; I1737-L1753 HydrophobicContact CD1-CD1 4.27Å; I1737-M1756 HydrophobicContact CD1-SD 3.92Å; I1737-L1769 HydrophobicContact CB-CD1 4.2Å; I1737-L1769 HydrophobicContact CB-CD2 4.22Å; I1737-L1769 HydrophobicContact CD1-CD1 3.85Å; I1737-L1769 HydrophobicContact CG2-CD1 3.86Å; I1737-L1769 HydrophobicContact CG2-CD2 3.98Å; I1737-I1773 HydrophobicContact CG2-CG2 4.17Å; I1737-I1777 HydrophobicContact CG2-CD1 3.73Å |
| 1738 | R | 83.7 | Confident | 80.7 | Confident | 88 Ų | 88 | 49.8 Ų | 49.8 | 33% | 0.332 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.2 | -48.4 | 168.9 | -79.9 | 168.1 | 177.1 | 127.3 | -2 | 110.3 | S1734 L1735 V1741 M1742 Y1768 L1769 D1770 I1773 | S1734-R1738 WeakPolarHBondContact O-CB 3.42Å; S1734-R1738 WeakPolarHBondContact O-CD 3.33Å; S1734-R1738 WeakPolarHBondContact O-CG 3.34Å; S1734-R1738 PolarHBondContact O-N 3.01Å; S1734-R1738 PolarHBondContact OG-NH1 2.97Å; L1735-R1738 PolarHBondContact O-N 3.26Å; R1738-V1741 PolarHBondContact O-N 2.85Å; R1738-M1742 VanDerWaalsContact O-CG 3.25Å; R1738-M1742 WeakPolarHBondContact O-CG 3.46Å; R1738-M1742 PolarHBondContact O-N 3Å; R1738-Y1768 PolarHBondContact NH1-O 3Å; R1738-Y1768 PolarHBondContact NH2-O 3.25Å; R1738-Y1768 VanDerWaalsContact NH2-O 3.17Å; R1738-L1769 HydrophobicContact CG-CD2 4.4Å; R1738-D1770 IonicContact CZ-OD2 2.67Å; R1738-D1770 IonicContact NE-OD2 2.7Å; R1738-D1770 PolarHBondContact NE-OD2 2.88Å; R1738-D1770 IonicContact NH2-OD1 2.68Å; R1738-D1770 IonicContact NH2-OD2 2.72Å; R1738-D1770 PolarHBondContact NH2-OD2 3.36Å; R1738-I1773 HydrophobicContact CG-CD1 3.62Å |
| 1739 | E | 81.8 | Confident | 80.9 | Confident | 67 Ų | 67 | 48 Ų | 48 | 31% | 0.313 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.6 | -41.7 | -179.6 | -66.2 | -65.7 | 154.3 | 0 | 0 | 113.4 | F1703 L1735 I1736 I1737 V1741 M1742 E1743 | F1703-E1739 HydrophobicContact CD1-CG 3.72Å; F1703-E1739 HydrophobicContact CE1-CB 4.22Å; F1703-E1739 HydrophobicContact CE1-CG 3.73Å; L1735-E1739 HydrophobicContact CD2-CG 4.06Å; L1735-E1739 WeakPolarHBondContact O-CG 3.26Å; L1735-E1739 PolarHBondContact O-N 2.82Å; I1736-E1739 PolarHBondContact O-N 2.88Å; I1737-E1739 VanDerWaalsContact C-N 3.33Å; I1737-E1739 PolarHBondContact O-N 3.32Å; E1739-V1741 VanDerWaalsContact C-N 3.29Å; E1739-V1741 PolarHBondContact O-N 3.27Å; E1739-M1742 CarbonylContact O-C 3.52Å; E1739-M1742 WeakPolarHBondContact O-CA 3.38Å; E1739-M1742 WeakPolarHBondContact O-CB 3.35Å; E1739-M1742 PolarHBondContact O-N 2.88Å; E1739-E1743 PolarHBondContact O-N 3.28Å |
| 1740 | L | 82 | Confident | 81 | Confident | 8 Ų | 8 | 48.8 Ų | 48.8 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.7 | -28.8 | 175 | -71.4 | 173.7 | 0 | 0 | 0 | 112.8 | M1711 I1736 M1742 E1744 K1745 D1748 A1749 C1752 | M1711-L1740 HydrophobicContact CE-CD1 4.34Å; M1711-L1740 HydrophobicContact CE-CD2 3.73Å; M1711-L1740 HydrophobicContact CE-CG 3.92Å; I1736-L1740 HydrophobicContact CG2-CD1 3.63Å; I1736-L1740 HydrophobicContact CG2-CG 4.16Å; I1736-L1740 WeakPolarHBondContact O-CB 3.43Å; I1736-L1740 WeakPolarHBondContact O-CG 3.28Å; I1736-L1740 PolarHBondContact O-N 3.49Å; L1740-M1742 VanDerWaalsContact C-N 3.35Å; L1740-E1744 PolarHBondContact O-N 2.8Å; L1740-K1745 HydrophobicContact CD2-CB 4.14Å; L1740-K1745 HydrophobicContact CD2-CD 3.81Å; L1740-K1745 PolarHBondContact O-N 2.86Å; L1740-D1748 HydrophobicContact CD1-CB 4.47Å; L1740-A1749 HydrophobicContact CB-CB 3.83Å; L1740-C1752 HydrophobicContact CD1-CB 4.37Å; L1740-C1752 VanDerWaalsContact CD1-SG 3.59Å |
| 1741 | V | 82.6 | Confident | 81.1 | Confident | 8 Ų | 8 | 53 Ų | 53 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -78.4 | -19.4 | 172.3 | 169.2 | 0 | 0 | 0 | 0 | 112.4 | I1737 R1738 E1739 Y1746 A1749 I1773 K1776 I1777 | I1737-V1741 HydrophobicContact CG2-CG2 4.31Å; I1737-V1741 WeakPolarHBondContact O-CB 3.49Å; I1737-V1741 WeakPolarHBondContact O-CG2 3.48Å; I1737-V1741 PolarHBondContact O-N 2.71Å; R1738-V1741 PolarHBondContact O-N 2.85Å; E1739-V1741 VanDerWaalsContact C-N 3.29Å; E1739-V1741 PolarHBondContact O-N 3.27Å; V1741-Y1746 HydrophobicContact CG1-CE1 4.27Å; V1741-A1749 HydrophobicContact CG2-CB 3.89Å; V1741-I1773 HydrophobicContact CB-CG2 4.46Å; V1741-I1773 HydrophobicContact CG1-CG2 4.36Å; V1741-I1773 HydrophobicContact CG2-CG2 4.09Å; V1741-K1776 HydrophobicContact CG1-CD 3.68Å; V1741-K1776 PolarHBondContact O-NZ 3.09Å; V1741-I1777 HydrophobicContact CG2-CD1 3.87Å; V1741-I1777 HydrophobicContact CG2-CG1 3.79Å |
| 1742 | M | 77.9 | Confident | 81.2 | Confident | 149 Ų | 149 | 52.2 Ų | 52.2 | 73% | 0.734 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -81.1 | -35.3 | 167.3 | -70 | -73.4 | -74.4 | 0 | 0 | 111.8 | R1738 E1739 L1740 E1744 | R1738-M1742 VanDerWaalsContact O-CG 3.25Å; R1738-M1742 WeakPolarHBondContact O-CG 3.46Å; R1738-M1742 PolarHBondContact O-N 3Å; E1739-M1742 CarbonylContact O-C 3.52Å; E1739-M1742 WeakPolarHBondContact O-CA 3.38Å; E1739-M1742 WeakPolarHBondContact O-CB 3.35Å; E1739-M1742 PolarHBondContact O-N 2.88Å; L1740-M1742 VanDerWaalsContact C-N 3.35Å; M1742-E1744 PolarHBondContact O-N 2.77Å |
| 1743 | E | 80.2 | Confident | 81.1 | Confident | 90 Ų | 90 | 52.2 Ų | 52.2 | 42% | 0.421 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 6.1 | 171.9 | -70 | -164.2 | 121.5 | 0 | 0 | 114.2 | E1739 K1745 | E1739-E1743 PolarHBondContact O-N 3.28Å; E1743-K1745 HydrophobicContact CB-CD 4.15Å; E1743-K1745 HydrophobicContact CB-CG 4.21Å; E1743-K1745 VanDerWaalsContact CD-NZ 3.28Å; E1743-K1745 PolarHBondContact O-N 2.95Å; E1743-K1745 VanDerWaalsContact O-N 3.08Å; E1743-K1745 IonicContact OE1-NZ 3.36Å; E1743-K1745 PolarHBondContact OE1-NZ 2.82Å; E1743-K1745 WeakPolarHBondContact OE2-CE 3.47Å; E1743-K1745 IonicContact OE2-NZ 3.6Å; E1743-K1745 PolarHBondContact OE2-NZ 2.95Å |
| 1744 | E | 74.4 | Confident | 80.9 | Confident | 141 Ų | 141 | 54.2 Ų | 54.2 | 66% | 0.659 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 16.8 | -177 | -55.2 | -156.5 | 122.8 | 0 | 0 | 115.7 | L1740 M1742 Y1746 | L1740-E1744 PolarHBondContact O-N 2.8Å; M1742-E1744 PolarHBondContact O-N 2.77Å; E1744-Y1746 HydrophobicContact CB-CD2 4.44Å; E1744-Y1746 HydrophobicContact CB-CE2 3.75Å; E1744-Y1746 HydrophobicContact CG-CE2 4.27Å; E1744-Y1746 WeakPolarHBondContact O-CD2 3.05Å; E1744-Y1746 WeakPolarHBondContact O-CE2 3.5Å; E1744-Y1746 PolarHBondContact O-N 2.64Å |
| 1745 | K | 78.8 | Confident | 80.8 | Confident | 83 Ų | 83 | 57.2 Ų | 57.2 | 36% | 0.361 | 27% | 0.267 | S | S | . | . | trans | -80.7 | 54.1 | 179.4 | -68.3 | 173.8 | -173 | 162.5 | 0 | 111.2 | L1740 E1743 K1747 D1748 A1749 | L1740-K1745 HydrophobicContact CD2-CB 4.14Å; L1740-K1745 HydrophobicContact CD2-CD 3.81Å; L1740-K1745 PolarHBondContact O-N 2.86Å; E1743-K1745 HydrophobicContact CB-CD 4.15Å; E1743-K1745 HydrophobicContact CB-CG 4.21Å; E1743-K1745 VanDerWaalsContact CD-NZ 3.28Å; E1743-K1745 PolarHBondContact O-N 2.95Å; E1743-K1745 VanDerWaalsContact O-N 3.08Å; E1743-K1745 IonicContact OE1-NZ 3.36Å; E1743-K1745 PolarHBondContact OE1-NZ 2.82Å; E1743-K1745 WeakPolarHBondContact OE2-CE 3.47Å; E1743-K1745 IonicContact OE2-NZ 3.6Å; E1743-K1745 PolarHBondContact OE2-NZ 2.95Å; K1745-K1747 PolarHBondContact O-N 3.48Å; K1745-D1748 HydrophobicContact CB-CB 4.13Å; K1745-D1748 PolarHBondContact O-N 2.81Å; K1745-A1749 WeakPolarHBondContact O-CB 3.32Å; K1745-A1749 PolarHBondContact O-N 2.86Å | ||
| 1746 | Y | 79.5 | Confident | 80.7 | Confident | 40 Ų | 40 | 56.1 Ų | 56.1 | 16% | 0.157 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55 | -30.2 | -173 | -58.8 | -75.1 | 0 | 0 | 0 | 114.1 | V1741 E1744 Y1750 K1776 T1780 | V1741-Y1746 HydrophobicContact CG1-CE1 4.27Å; E1744-Y1746 HydrophobicContact CB-CD2 4.44Å; E1744-Y1746 HydrophobicContact CB-CE2 3.75Å; E1744-Y1746 HydrophobicContact CG-CE2 4.27Å; E1744-Y1746 WeakPolarHBondContact O-CD2 3.05Å; E1744-Y1746 WeakPolarHBondContact O-CE2 3.5Å; E1744-Y1746 PolarHBondContact O-N 2.64Å; Y1746-Y1750 WeakPolarHBondContact O-CB 3.43Å; Y1746-Y1750 PolarHBondContact O-N 3.29Å; Y1746-K1776 HydrophobicContact CE1-CD 4.26Å; Y1746-K1776 HydrophobicContact CE1-CG 4.02Å; Y1746-K1776 VanDerWaalsContact OH-CE 3.23Å; Y1746-K1776 WeakPolarHBondContact OH-CE 3.46Å; Y1746-K1776 PolarHBondContact OH-NZ 3.16Å; Y1746-T1780 HydrophobicContact CD1-CG2 4.16Å; Y1746-T1780 HydrophobicContact CD2-CG2 4.26Å; Y1746-T1780 HydrophobicContact CE1-CG2 4.29Å; Y1746-T1780 HydrophobicContact CE2-CG2 4.38Å; Y1746-T1780 HydrophobicContact CG-CG2 4.17Å |
| 1747 | K | 74.8 | Confident | 80.6 | Confident | 153 Ų | 153 | 57.7 Ų | 57.7 | 67% | 0.665 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -67.6 | -47 | 172.9 | -71 | -177 | 178.6 | 179.2 | 0 | 112.4 | K1745 Y1750 I1751 L1781 | K1745-K1747 PolarHBondContact O-N 3.48Å; K1747-Y1750 PolarHBondContact O-N 3.1Å; K1747-I1751 WeakPolarHBondContact O-CG1 3.14Å; K1747-I1751 PolarHBondContact O-N 3.19Å; K1747-L1781 HydrophobicContact CG-CD2 4.15Å |
| 1748 | D | 78.8 | Confident | 80.2 | Confident | 76 Ų | 76 | 65.8 Ų | 65.8 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -74.1 | -35.4 | -177.5 | -48.1 | -28 | 0 | 0 | 0 | 110 | L1740 K1745 Y1750 I1751 C1752 | L1740-D1748 HydrophobicContact CD1-CB 4.47Å; K1745-D1748 HydrophobicContact CB-CB 4.13Å; K1745-D1748 PolarHBondContact O-N 2.81Å; D1748-Y1750 VanDerWaalsContact C-N 3.33Å; D1748-Y1750 PolarHBondContact O-N 3.44Å; D1748-I1751 PolarHBondContact O-N 2.73Å; D1748-C1752 WeakPolarHBondContact O-CB 3.39Å; D1748-C1752 PolarHBondContact O-N 3.18Å; D1748-C1752 PolarHBondContact O-SG 3.46Å |
| 1749 | A | 79.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1740 V1741 K1745 C1752 L1753 I1777 | L1740-A1749 HydrophobicContact CB-CB 3.83Å; V1741-A1749 HydrophobicContact CG2-CB 3.89Å; K1745-A1749 WeakPolarHBondContact O-CB 3.32Å; K1745-A1749 PolarHBondContact O-N 2.86Å; A1749-C1752 PolarHBondContact O-N 2.93Å; A1749-L1753 VanDerWaalsContact O-CB 3.29Å; A1749-L1753 WeakPolarHBondContact O-CB 3.48Å; A1749-L1753 PolarHBondContact O-N 2.96Å; A1749-I1777 HydrophobicContact CB-CD1 4.38Å |
| 1750 | Y | 81.2 | Confident | 79.5 | Confident | 59 Ų | 59 | 67 Ų | 67 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -74.8 | -31.2 | 175.2 | -179.1 | -112.7 | 0 | 0 | 0 | 113.2 | Y1746 K1747 D1748 L1753 N1754 I1777 Y1778 L1781 L1783 | Y1746-Y1750 WeakPolarHBondContact O-CB 3.43Å; Y1746-Y1750 PolarHBondContact O-N 3.29Å; K1747-Y1750 PolarHBondContact O-N 3.1Å; D1748-Y1750 VanDerWaalsContact C-N 3.33Å; D1748-Y1750 PolarHBondContact O-N 3.44Å; Y1750-L1753 HydrophobicContact CD2-CD2 3.96Å; Y1750-L1753 HydrophobicContact CE2-CD2 4.31Å; Y1750-L1753 PolarHBondContact O-N 2.82Å; Y1750-N1754 WeakPolarHBondContact CE1-ND2 3.4Å; Y1750-N1754 WeakPolarHBondContact CE2-OD1 3.46Å; Y1750-N1754 WeakPolarHBondContact O-CB 3.37Å; Y1750-N1754 PolarHBondContact O-N 3.14Å; Y1750-N1754 PolarHBondContact O-ND2 2.98Å; Y1750-I1777 HydrophobicContact CD2-CG2 3.81Å; Y1750-I1777 HydrophobicContact CG-CG2 4.23Å; Y1750-Y1778 HydrophobicContact CE2-CE1 4.29Å; Y1750-L1781 HydrophobicContact CD1-CD1 3.66Å; Y1750-L1781 HydrophobicContact CD2-CD1 3.97Å; Y1750-L1781 HydrophobicContact CE1-CD1 4.5Å; Y1750-L1781 HydrophobicContact CG-CD1 3.35Å; Y1750-L1783 HydrophobicContact CD2-CD1 4.23Å; Y1750-L1783 HydrophobicContact CE1-CD1 3.83Å; Y1750-L1783 HydrophobicContact CE2-CD1 3.5Å; Y1750-L1783 WeakPolarHBondContact OH-CD1 3.43Å |
| 1751 | I | 82.1 | Confident | 79 | Confident | 90 Ų | 90 | 68 Ų | 68 | 46% | 0.462 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.9 | -49.3 | 168 | -69.7 | 162.9 | 0 | 0 | 0 | 109.1 | K1747 D1748 L1753 N1754 E1755 | K1747-I1751 WeakPolarHBondContact O-CG1 3.14Å; K1747-I1751 PolarHBondContact O-N 3.19Å; D1748-I1751 PolarHBondContact O-N 2.73Å; I1751-L1753 VanDerWaalsContact C-N 3.31Å; I1751-L1753 PolarHBondContact O-N 2.89Å; I1751-N1754 CarbonylContact O-C 3.53Å; I1751-N1754 PolarHBondContact O-N 2.98Å; I1751-N1754 VanDerWaalsContact O-N 3.08Å; I1751-E1755 PolarHBondContact O-N 2.88Å |
| 1752 | C | 83.2 | Confident | 78.5 | Confident | 10 Ų | 10 | 70.5 Ų | 70.5 | 7% | 0.068 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.6 | -35.9 | 174.5 | -64.9 | 0 | 0 | 0 | 0 | 112.6 | Y1733 I1737 L1740 D1748 A1749 N1754 E1755 M1756 | Y1733-C1752 HydrophobicContact CD1-CB 4.32Å; Y1733-C1752 HydrophobicContact CE1-CB 4.41Å; I1737-C1752 HydrophobicContact CD1-CB 4.13Å; I1737-C1752 HydrophobicContact CG1-CB 3.8Å; L1740-C1752 HydrophobicContact CD1-CB 4.37Å; L1740-C1752 VanDerWaalsContact CD1-SG 3.59Å; D1748-C1752 WeakPolarHBondContact O-CB 3.39Å; D1748-C1752 PolarHBondContact O-N 3.18Å; D1748-C1752 PolarHBondContact O-SG 3.46Å; A1749-C1752 PolarHBondContact O-N 2.93Å; C1752-N1754 VanDerWaalsContact C-N 3.35Å; C1752-E1755 PolarHBondContact O-N 3.49Å; C1752-M1756 VanDerWaalsContact O-CB 3.23Å; C1752-M1756 WeakPolarHBondContact O-CB 3.46Å; C1752-M1756 PolarHBondContact O-N 3.23Å |
| 1753 | L | 82.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.8 | -37.4 | 173.7 | -168.5 | 86.7 | 0 | 0 | 0 | 111.3 | I1737 A1749 Y1750 I1751 M1756 K1757 I1765 L1769 L1774 I1777 Y1778 | I1737-L1753 HydrophobicContact CD1-CB 4.33Å; I1737-L1753 HydrophobicContact CD1-CD1 4.27Å; A1749-L1753 VanDerWaalsContact O-CB 3.29Å; A1749-L1753 WeakPolarHBondContact O-CB 3.48Å; A1749-L1753 PolarHBondContact O-N 2.96Å; Y1750-L1753 HydrophobicContact CD2-CD2 3.96Å; Y1750-L1753 HydrophobicContact CE2-CD2 4.31Å; Y1750-L1753 PolarHBondContact O-N 2.82Å; I1751-L1753 VanDerWaalsContact C-N 3.31Å; I1751-L1753 PolarHBondContact O-N 2.89Å; L1753-M1756 PolarHBondContact O-N 2.72Å; L1753-K1757 WeakPolarHBondContact O-CB 3.44Å; L1753-K1757 WeakPolarHBondContact O-CD 3.4Å; L1753-K1757 VanDerWaalsContact O-CG 3.25Å; L1753-K1757 WeakPolarHBondContact O-CG 3.08Å; L1753-K1757 PolarHBondContact O-N 3.4Å; L1753-I1765 HydrophobicContact CD1-CG2 4.36Å; L1753-L1769 HydrophobicContact CD1-CD1 3.84Å; L1753-L1774 HydrophobicContact CD1-CD2 3.91Å; L1753-L1774 HydrophobicContact CD2-CD2 4.36Å; L1753-I1777 HydrophobicContact CD1-CD1 4.33Å; L1753-I1777 HydrophobicContact CD2-CG2 4.29Å; L1753-Y1778 HydrophobicContact CD2-CE1 4.21Å |
| 1754 | N | 80.6 | Confident | 77.4 | Confident | 46 Ų | 46 | 67 Ų | 67 | 25% | 0.246 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.7 | -40 | 175.2 | -71 | -17.1 | 0 | 0 | 0 | 112 | Y1750 I1751 C1752 M1756 K1757 E1758 | Y1750-N1754 WeakPolarHBondContact CE1-ND2 3.4Å; Y1750-N1754 WeakPolarHBondContact CE2-OD1 3.46Å; Y1750-N1754 WeakPolarHBondContact O-CB 3.37Å; Y1750-N1754 PolarHBondContact O-N 3.14Å; Y1750-N1754 PolarHBondContact O-ND2 2.98Å; I1751-N1754 CarbonylContact O-C 3.53Å; I1751-N1754 PolarHBondContact O-N 2.98Å; I1751-N1754 VanDerWaalsContact O-N 3.08Å; C1752-N1754 VanDerWaalsContact C-N 3.35Å; N1754-M1756 VanDerWaalsContact C-N 3.27Å; N1754-M1756 PolarHBondContact O-N 2.89Å; N1754-K1757 WeakPolarHBondContact O-CB 3.44Å; N1754-K1757 PolarHBondContact O-N 3.13Å; N1754-K1757 WeakPolarHBondContact OD1-CD 3.3Å; N1754-E1758 WeakPolarHBondContact O-CB 3.26Å; N1754-E1758 WeakPolarHBondContact O-CG 3.46Å; N1754-E1758 PolarHBondContact O-N 3.22Å |
| 1755 | E | 81.7 | Confident | 77.3 | Confident | 70 Ų | 70 | 60.4 Ų | 60.4 | 33% | 0.327 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.9 | -39.2 | 168.7 | -70.1 | -179.7 | -161.6 | 0 | 0 | 111.6 | Y1733 I1751 C1752 E1758 R1759 | Y1733-E1755 HydrophobicContact CE1-CB 4.05Å; Y1733-E1755 PolarHBondContact OH-OE2 2.6Å; I1751-E1755 PolarHBondContact O-N 2.88Å; C1752-E1755 PolarHBondContact O-N 3.49Å; E1755-E1758 PolarHBondContact O-N 3.42Å; E1755-R1759 VanDerWaalsContact O-CB 3.29Å; E1755-R1759 WeakPolarHBondContact O-CB 3.42Å; E1755-R1759 WeakPolarHBondContact O-CG 3.29Å; E1755-R1759 PolarHBondContact O-N 2.86Å |
| 1756 | M | 81.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67 | -40.9 | 175.3 | -172.7 | -172.8 | 175.7 | 0 | 0 | 111.6 | Y1733 I1737 C1752 L1753 N1754 I1760 I1765 Y1768 L1769 | Y1733-M1756 HydrophobicContact CD1-CB 4.33Å; Y1733-M1756 HydrophobicContact CD2-CB 4.34Å; Y1733-M1756 HydrophobicContact CD2-CG 4.41Å; Y1733-M1756 HydrophobicContact CG-CB 4.07Å; Y1733-M1756 HydrophobicContact CG-CG 4.23Å; I1737-M1756 HydrophobicContact CD1-SD 3.92Å; C1752-M1756 VanDerWaalsContact O-CB 3.23Å; C1752-M1756 WeakPolarHBondContact O-CB 3.46Å; C1752-M1756 PolarHBondContact O-N 3.23Å; L1753-M1756 PolarHBondContact O-N 2.72Å; N1754-M1756 VanDerWaalsContact C-N 3.27Å; N1754-M1756 PolarHBondContact O-N 2.89Å; M1756-I1760 HydrophobicContact CE-CD1 4.31Å; M1756-I1760 HydrophobicContact CG-CD1 3.76Å; M1756-I1760 HydrophobicContact CG-CG1 4.31Å; M1756-I1760 WeakPolarHBondContact O-CA 3.42Å; M1756-I1760 VanDerWaalsContact O-CB 3.28Å; M1756-I1760 WeakPolarHBondContact O-CB 3.26Å; M1756-I1760 WeakPolarHBondContact O-CG1 3.46Å; M1756-I1760 PolarHBondContact O-N 2.89Å; M1756-I1765 HydrophobicContact CE-CG2 3.96Å; M1756-I1765 HydrophobicContact SD-CG2 4.16Å; M1756-Y1768 HydrophobicContact CE-CD2 3.87Å; M1756-Y1768 HydrophobicContact CE-CG 4.1Å; M1756-L1769 HydrophobicContact CE-CD1 4.32Å; M1756-L1769 HydrophobicContact SD-CD1 3.8Å |
| 1757 | K | 80.6 | Confident | 76.7 | Confident | 33 Ų | 33 | 69.7 Ų | 69.7 | 14% | 0.143 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.6 | -45 | 170.8 | -76.7 | 159.1 | 174.8 | -71.3 | 0 | 111.5 | L1753 N1754 G1761 D1762 I1765 Y1778 | L1753-K1757 WeakPolarHBondContact O-CB 3.44Å; L1753-K1757 WeakPolarHBondContact O-CD 3.4Å; L1753-K1757 VanDerWaalsContact O-CG 3.25Å; L1753-K1757 WeakPolarHBondContact O-CG 3.08Å; L1753-K1757 PolarHBondContact O-N 3.4Å; N1754-K1757 WeakPolarHBondContact O-CB 3.44Å; N1754-K1757 PolarHBondContact O-N 3.13Å; N1754-K1757 WeakPolarHBondContact OD1-CD 3.3Å; K1757-G1761 WeakPolarHBondContact O-CA 3.31Å; K1757-G1761 PolarHBondContact O-N 3.01Å; K1757-D1762 IonicContact NZ-OD1 3.05Å; K1757-D1762 PolarHBondContact NZ-OD1 2.89Å; K1757-D1762 IonicContact NZ-OD2 3.57Å; K1757-D1762 PolarHBondContact NZ-OD2 2.94Å; K1757-I1765 HydrophobicContact CD-CD1 4.43Å; K1757-I1765 HydrophobicContact CG-CD1 3.55Å; K1757-Y1778 VanDerWaalsContact CE-OH 3.25Å; K1757-Y1778 WeakPolarHBondContact CE-OH 3.09Å; K1757-Y1778 PolarHBondContact NZ-OH 2.72Å |
| 1758 | E | 77.6 | Confident | 76.7 | Confident | 170 Ų | 170 | 64.2 Ų | 64.2 | 79% | 0.794 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -70 | -38 | 179.9 | -74.3 | -179.8 | 177.7 | 0 | 0 | 112.7 | N1754 E1755 | N1754-E1758 WeakPolarHBondContact O-CB 3.26Å; N1754-E1758 WeakPolarHBondContact O-CG 3.46Å; N1754-E1758 PolarHBondContact O-N 3.22Å; E1755-E1758 PolarHBondContact O-N 3.42Å |
| 1759 | R | 75.7 | Confident | 76.6 | Confident | 143 Ų | 143 | 60.7 Ų | 60.7 | 54% | 0.54 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -84.1 | -28.5 | -179.4 | -72.5 | -177.1 | -179 | -152.7 | 11.5 | 114.6 | L1718 Y1733 E1755 | L1718-R1759 PolarHBondContact O-NH1 2.69Å; Y1733-R1759 WeakPolarHBondContact OH-CD 3.37Å; Y1733-R1759 PolarHBondContact OH-NE 2.87Å; E1755-R1759 VanDerWaalsContact O-CB 3.29Å; E1755-R1759 WeakPolarHBondContact O-CB 3.42Å; E1755-R1759 WeakPolarHBondContact O-CG 3.29Å; E1755-R1759 PolarHBondContact O-N 2.86Å |
| 1760 | I | 73.4 | Confident | 76.5 | Confident | 38 Ų | 38 | 64.7 Ų | 64.7 | 20% | 0.195 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -121.6 | -22.2 | -169.5 | -44.9 | -174.9 | 0 | 0 | 0 | 112.8 | P1729 G1730 M1756 V1764 Y1768 | P1729-I1760 HydrophobicContact CB-CD1 4.32Å; P1729-I1760 HydrophobicContact CG-CD1 4.14Å; P1729-I1760 HydrophobicContact CG-CG1 4.43Å; G1730-I1760 VanDerWaalsContact N-CD1 3.3Å; M1756-I1760 HydrophobicContact CE-CD1 4.31Å; M1756-I1760 HydrophobicContact CG-CD1 3.76Å; M1756-I1760 HydrophobicContact CG-CG1 4.31Å; M1756-I1760 WeakPolarHBondContact O-CA 3.42Å; M1756-I1760 VanDerWaalsContact O-CB 3.28Å; M1756-I1760 WeakPolarHBondContact O-CB 3.26Å; M1756-I1760 WeakPolarHBondContact O-CG1 3.46Å; M1756-I1760 PolarHBondContact O-N 2.89Å; I1760-V1764 HydrophobicContact CG2-CB 4.17Å; I1760-V1764 HydrophobicContact CG2-CG1 4.34Å; I1760-V1764 WeakPolarHBondContact O-CG2 3.42Å; I1760-Y1768 HydrophobicContact CG2-CE2 4.21Å |
| 1761 | G | 72.8 | Confident | 76.1 | Confident | 29 Ų | 29 | 67.6 Ų | 67.6 | 30% | 0.299 | 32% | 0.322 | S | S | . | . | trans | 92 | 137.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1757 N1763 V1764 | K1757-G1761 WeakPolarHBondContact O-CA 3.31Å; K1757-G1761 PolarHBondContact O-N 3.01Å; G1761-N1763 VanDerWaalsContact C-N 3.32Å; G1761-N1763 PolarHBondContact O-N 3.42Å; G1761-V1764 PolarHBondContact O-N 3.33Å; G1761-V1764 VanDerWaalsContact O-N 3.15Å | ||
| 1762 | D | 70.8 | Confident | 76 | Confident | 61 Ų | 61 | 71.2 Ų | 71.2 | 33% | 0.326 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -60 | -37.7 | -167.9 | -141.5 | -35 | 0 | 0 | 0 | 113.7 | K1757 V1764 I1765 | K1757-D1762 IonicContact NZ-OD1 3.05Å; K1757-D1762 PolarHBondContact NZ-OD1 2.89Å; K1757-D1762 IonicContact NZ-OD2 3.57Å; K1757-D1762 PolarHBondContact NZ-OD2 2.94Å; D1762-V1764 PolarHBondContact O-N 2.78Å; D1762-V1764 VanDerWaalsContact O-N 3.14Å; D1762-I1765 WeakPolarHBondContact O-CD1 3.31Å; D1762-I1765 WeakPolarHBondContact O-CG1 3.44Å; D1762-I1765 WeakPolarHBondContact OD1-CD1 3.25Å |
| 1763 | N | 66.3 | Low | 75.7 | Confident | 118 Ų | 118 | 71.8 Ų | 71.8 | 63% | 0.631 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -67.6 | -13.9 | -178.3 | -65 | -5.8 | 0 | 0 | 0 | 114.3 | G1761 Y1788 | G1761-N1763 VanDerWaalsContact C-N 3.32Å; G1761-N1763 PolarHBondContact O-N 3.42Å; N1763-Y1788 PolarHBondContact OD1-OH 2.76Å |
| 1764 | V | 69.8 | Low | 75.4 | Confident | 46 Ų | 46 | 72 Ų | 72 | 28% | 0.279 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -98 | -12.9 | -171.2 | -158 | 0 | 0 | 0 | 0 | 112.7 | I1760 G1761 D1762 F1766 R1767 Y1768 | I1760-V1764 HydrophobicContact CG2-CB 4.17Å; I1760-V1764 HydrophobicContact CG2-CG1 4.34Å; I1760-V1764 WeakPolarHBondContact O-CG2 3.42Å; G1761-V1764 PolarHBondContact O-N 3.33Å; G1761-V1764 VanDerWaalsContact O-N 3.15Å; D1762-V1764 PolarHBondContact O-N 2.78Å; D1762-V1764 VanDerWaalsContact O-N 3.14Å; V1764-F1766 VanDerWaalsContact C-N 3.27Å; V1764-F1766 PolarHBondContact O-N 2.71Å; V1764-R1767 WeakPolarHBondContact O-CB 3.44Å; V1764-R1767 PolarHBondContact O-N 3.31Å; V1764-Y1768 HydrophobicContact CG1-CE2 3.98Å |
| 1765 | I | 72.9 | Confident | 75.2 | Confident | 3 Ų | 3 | 73.1 Ų | 73.1 | 2% | 0.015 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -60 | -36.5 | -169.9 | -52.2 | 165 | 0 | 0 | 0 | 112.3 | L1753 M1756 K1757 D1762 R1767 Y1768 L1769 L1774 | L1753-I1765 HydrophobicContact CD1-CG2 4.36Å; M1756-I1765 HydrophobicContact CE-CG2 3.96Å; M1756-I1765 HydrophobicContact SD-CG2 4.16Å; K1757-I1765 HydrophobicContact CD-CD1 4.43Å; K1757-I1765 HydrophobicContact CG-CD1 3.55Å; D1762-I1765 WeakPolarHBondContact O-CD1 3.31Å; D1762-I1765 WeakPolarHBondContact O-CG1 3.44Å; D1762-I1765 WeakPolarHBondContact OD1-CD1 3.25Å; I1765-R1767 PolarHBondContact O-N 2.76Å; I1765-Y1768 PolarHBondContact O-N 2.78Å; I1765-L1769 HydrophobicContact CG2-CB 4.12Å; I1765-L1769 HydrophobicContact CG2-CD1 3.97Å; I1765-L1769 PolarHBondContact O-N 3.49Å; I1765-L1774 HydrophobicContact CG2-CD1 4.19Å; I1765-L1774 HydrophobicContact CG2-CD2 3.98Å; I1765-L1774 HydrophobicContact CG2-CG 4.43Å |
| 1766 | F | 73.6 | Confident | 74.9 | Confident | 110 Ų | 110 | 74 Ų | 74 | 48% | 0.482 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -61.5 | -10.6 | 177.9 | -60.6 | -77.9 | 0 | 0 | 0 | 114.7 | V1764 L1774 | V1764-F1766 VanDerWaalsContact C-N 3.27Å; V1764-F1766 PolarHBondContact O-N 2.71Å; F1766-L1774 HydrophobicContact CD1-CD1 3.76Å; F1766-L1774 HydrophobicContact CE1-CD1 3.74Å; F1766-L1774 HydrophobicContact CZ-CD1 4.47Å |
| 1767 | R | 70.9 | Confident | 74.7 | Confident | 208 Ų | 208 | 74 Ų | 74 | 79% | 0.785 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -82.3 | -14.6 | 171.2 | -65.4 | -169.4 | 178.1 | -161.9 | -0.7 | 113.9 | V1764 I1765 | V1764-R1767 WeakPolarHBondContact O-CB 3.44Å; V1764-R1767 PolarHBondContact O-N 3.31Å; I1765-R1767 PolarHBondContact O-N 2.76Å |
| 1768 | Y | 75.2 | Confident | 74.6 | Confident | 38 Ų | 38 | 74.5 Ų | 74.5 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | -36.6 | -170.1 | -60.2 | -74.9 | 0 | 0 | 0 | 113.2 | K1728 G1730 D1731 S1734 R1738 M1756 I1760 V1764 I1765 | K1728-Y1768 HydrophobicContact CB-CE1 4.23Å; K1728-Y1768 HydrophobicContact CD-CE1 3.9Å; G1730-Y1768 VanDerWaalsContact C-CD1 3.47Å; D1731-Y1768 WeakPolarHBondContact OD1-CD1 3.21Å; D1731-Y1768 WeakPolarHBondContact OD1-CE1 3.49Å; S1734-Y1768 VanDerWaalsContact CB-O 3.29Å; S1734-Y1768 WeakPolarHBondContact CB-O 3.41Å; R1738-Y1768 PolarHBondContact NH1-O 3Å; R1738-Y1768 PolarHBondContact NH2-O 3.25Å; R1738-Y1768 VanDerWaalsContact NH2-O 3.17Å; M1756-Y1768 HydrophobicContact CE-CD2 3.87Å; M1756-Y1768 HydrophobicContact CE-CG 4.1Å; I1760-Y1768 HydrophobicContact CG2-CE2 4.21Å; V1764-Y1768 HydrophobicContact CG1-CE2 3.98Å; I1765-Y1768 PolarHBondContact O-N 2.78Å |
| 1769 | L | 77 | Confident | 74.4 | Confident | 3 Ų | 3 | 73.1 Ų | 73.1 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -116 | 128.9 | -178.9 | -79.5 | 169.8 | 0 | 0 | 0 | 110.9 | I1737 R1738 L1753 M1756 I1765 I1773 | I1737-L1769 HydrophobicContact CB-CD1 4.2Å; I1737-L1769 HydrophobicContact CB-CD2 4.22Å; I1737-L1769 HydrophobicContact CD1-CD1 3.85Å; I1737-L1769 HydrophobicContact CG2-CD1 3.86Å; I1737-L1769 HydrophobicContact CG2-CD2 3.98Å; R1738-L1769 HydrophobicContact CG-CD2 4.4Å; L1753-L1769 HydrophobicContact CD1-CD1 3.84Å; M1756-L1769 HydrophobicContact CE-CD1 4.32Å; M1756-L1769 HydrophobicContact SD-CD1 3.8Å; I1765-L1769 HydrophobicContact CG2-CB 4.12Å; I1765-L1769 HydrophobicContact CG2-CD1 3.97Å; I1765-L1769 PolarHBondContact O-N 3.49Å; L1769-I1773 HydrophobicContact CD2-CB 4.46Å; L1769-I1773 HydrophobicContact CD2-CD1 3.9Å; L1769-I1773 HydrophobicContact CD2-CG2 4.11Å |
| 1770 | D | 76.2 | Confident | 74.2 | Confident | 84 Ų | 84 | 69.5 Ų | 69.5 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | trans | -63.1 | 143 | 178 | -45.2 | -78.9 | 0 | 0 | 0 | 110.6 | R1738 E1772 I1773 L1774 | R1738-D1770 IonicContact CZ-OD2 2.67Å; R1738-D1770 IonicContact NE-OD2 2.7Å; R1738-D1770 PolarHBondContact NE-OD2 2.88Å; R1738-D1770 IonicContact NH2-OD1 2.68Å; R1738-D1770 IonicContact NH2-OD2 2.72Å; R1738-D1770 PolarHBondContact NH2-OD2 3.36Å; D1770-E1772 PolarHBondContact O-N 2.98Å; D1770-E1772 VanDerWaalsContact O-N 3.11Å; D1770-I1773 HydrophobicContact CB-CD1 4.08Å; D1770-I1773 HydrophobicContact CB-CG1 4.28Å; D1770-I1773 WeakPolarHBondContact O-CB 3.41Å; D1770-I1773 PolarHBondContact O-N 3.1Å; D1770-I1773 VanDerWaalsContact OD2-CD1 3.29Å; D1770-I1773 WeakPolarHBondContact OD2-CD1 3.41Å; D1770-L1774 PolarHBondContact O-N 2.9Å | ||
| 1771 | Q | 74.7 | Confident | 74.1 | Confident | 120 Ų | 120 | 70 Ų | 70 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -56.8 | -32.4 | -177.3 | -177.7 | 176.1 | -33.3 | 0 | 0 | 112.4 | I1773 L1774 E1775 | Q1771-I1773 VanDerWaalsContact C-N 3.3Å; Q1771-I1773 PolarHBondContact O-N 2.89Å; Q1771-L1774 PolarHBondContact O-N 3.27Å; Q1771-E1775 HydrophobicContact CG-CG 4.27Å; Q1771-E1775 PolarHBondContact NE2-OE1 3.1Å; Q1771-E1775 WeakPolarHBondContact O-CB 3.43Å; Q1771-E1775 WeakPolarHBondContact O-CG 3.36Å; Q1771-E1775 PolarHBondContact O-N 3.01Å |
| 1772 | E | 78.4 | Confident | 73.9 | Confident | 165 Ų | 165 | 76.1 Ų | 76.1 | 77% | 0.771 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -57.7 | -40.1 | 174.6 | -59.6 | -169.9 | 170.4 | 0 | 0 | 112.7 | D1770 K1776 | D1770-E1772 PolarHBondContact O-N 2.98Å; D1770-E1772 VanDerWaalsContact O-N 3.11Å; E1772-K1776 VanDerWaalsContact O-CB 3.28Å; E1772-K1776 WeakPolarHBondContact O-CB 3.46Å; E1772-K1776 PolarHBondContact O-N 2.84Å |
| 1773 | I | 78.3 | Confident | 73.4 | Confident | 22 Ų | 22 | 76.5 Ų | 76.5 | 11% | 0.113 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.6 | -45.6 | -178.6 | -54.9 | 168.6 | 0 | 0 | 0 | 109.7 | I1737 R1738 V1741 L1769 D1770 Q1771 K1776 I1777 | I1737-I1773 HydrophobicContact CG2-CG2 4.17Å; R1738-I1773 HydrophobicContact CG-CD1 3.62Å; V1741-I1773 HydrophobicContact CB-CG2 4.46Å; V1741-I1773 HydrophobicContact CG1-CG2 4.36Å; V1741-I1773 HydrophobicContact CG2-CG2 4.09Å; L1769-I1773 HydrophobicContact CD2-CB 4.46Å; L1769-I1773 HydrophobicContact CD2-CD1 3.9Å; L1769-I1773 HydrophobicContact CD2-CG2 4.11Å; D1770-I1773 HydrophobicContact CB-CD1 4.08Å; D1770-I1773 HydrophobicContact CB-CG1 4.28Å; D1770-I1773 WeakPolarHBondContact O-CB 3.41Å; D1770-I1773 PolarHBondContact O-N 3.1Å; D1770-I1773 VanDerWaalsContact OD2-CD1 3.29Å; D1770-I1773 WeakPolarHBondContact OD2-CD1 3.41Å; Q1771-I1773 VanDerWaalsContact C-N 3.3Å; Q1771-I1773 PolarHBondContact O-N 2.89Å; I1773-K1776 PolarHBondContact O-N 2.86Å; I1773-I1777 HydrophobicContact CG2-CD1 4.24Å; I1773-I1777 WeakPolarHBondContact O-CG1 3.43Å; I1773-I1777 PolarHBondContact O-N 2.92Å |
| 1774 | L | 76 | Confident | 72.6 | Confident | 5 Ų | 5 | 77.2 Ų | 77.2 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.8 | -50.5 | 173.8 | -82.6 | 157.6 | 0 | 0 | 0 | 111.3 | L1753 I1765 F1766 D1770 Q1771 K1776 I1777 Y1778 | L1753-L1774 HydrophobicContact CD1-CD2 3.91Å; L1753-L1774 HydrophobicContact CD2-CD2 4.36Å; I1765-L1774 HydrophobicContact CG2-CD1 4.19Å; I1765-L1774 HydrophobicContact CG2-CD2 3.98Å; I1765-L1774 HydrophobicContact CG2-CG 4.43Å; F1766-L1774 HydrophobicContact CD1-CD1 3.76Å; F1766-L1774 HydrophobicContact CE1-CD1 3.74Å; F1766-L1774 HydrophobicContact CZ-CD1 4.47Å; D1770-L1774 PolarHBondContact O-N 2.9Å; Q1771-L1774 PolarHBondContact O-N 3.27Å; L1774-K1776 PolarHBondContact O-N 2.76Å; L1774-I1777 PolarHBondContact O-N 3.48Å; L1774-Y1778 HydrophobicContact CB-CE2 4.27Å; L1774-Y1778 HydrophobicContact CD2-CE2 3.84Å; L1774-Y1778 WeakPolarHBondContact O-CD2 3.26Å; L1774-Y1778 PolarHBondContact O-N 2.72Å |
| 1775 | E | 75.3 | Confident | 71.7 | Confident | 69 Ų | 69 | 79.3 Ų | 79.3 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 176.9 | -76.8 | -173.3 | -152.5 | 0 | 0 | 112.3 | Q1771 I1777 Y1778 K1779 | Q1771-E1775 HydrophobicContact CG-CG 4.27Å; Q1771-E1775 PolarHBondContact NE2-OE1 3.1Å; Q1771-E1775 WeakPolarHBondContact O-CB 3.43Å; Q1771-E1775 WeakPolarHBondContact O-CG 3.36Å; Q1771-E1775 PolarHBondContact O-N 3.01Å; E1775-I1777 VanDerWaalsContact C-N 3.28Å; E1775-I1777 PolarHBondContact O-N 2.9Å; E1775-Y1778 PolarHBondContact O-N 2.84Å; E1775-K1779 HydrophobicContact CB-CD 4.25Å; E1775-K1779 WeakPolarHBondContact O-CB 3.42Å; E1775-K1779 WeakPolarHBondContact O-CD 3.38Å; E1775-K1779 WeakPolarHBondContact O-CG 3.09Å; E1775-K1779 PolarHBondContact O-N 3.03Å; E1775-K1779 WeakPolarHBondContact OE2-CE 3.47Å; E1775-K1779 IonicContact OE2-NZ 3.46Å; E1775-K1779 PolarHBondContact OE2-NZ 2.58Å |
| 1776 | K | 75.2 | Confident | 70.4 | Confident | 88 Ų | 88 | 84.8 Ų | 84.8 | 38% | 0.383 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.5 | -35.8 | 178.2 | -163.5 | 179.6 | 176.1 | -154.2 | 0 | 111.9 | V1741 Y1746 E1772 I1773 L1774 T1780 | V1741-K1776 HydrophobicContact CG1-CD 3.68Å; V1741-K1776 PolarHBondContact O-NZ 3.09Å; Y1746-K1776 HydrophobicContact CE1-CD 4.26Å; Y1746-K1776 HydrophobicContact CE1-CG 4.02Å; Y1746-K1776 VanDerWaalsContact OH-CE 3.23Å; Y1746-K1776 WeakPolarHBondContact OH-CE 3.46Å; Y1746-K1776 PolarHBondContact OH-NZ 3.16Å; E1772-K1776 VanDerWaalsContact O-CB 3.28Å; E1772-K1776 WeakPolarHBondContact O-CB 3.46Å; E1772-K1776 PolarHBondContact O-N 2.84Å; I1773-K1776 PolarHBondContact O-N 2.86Å; L1774-K1776 PolarHBondContact O-N 2.76Å; K1776-T1780 VanDerWaalsContact O-CG2 3.3Å; K1776-T1780 WeakPolarHBondContact O-CG2 3.37Å; K1776-T1780 PolarHBondContact O-N 3.05Å; K1776-T1780 PolarHBondContact O-OG1 3.46Å |
| 1777 | I | 78 | Confident | 68.8 | Low | 0 Ų | 0 | 86.8 Ų | 86.8 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -72.7 | -50 | 174.6 | -63.4 | 165.9 | 0 | 0 | 0 | 111.7 | I1737 V1741 A1749 Y1750 L1753 I1773 L1774 E1775 K1779 T1780 L1781 | I1737-I1777 HydrophobicContact CG2-CD1 3.73Å; V1741-I1777 HydrophobicContact CG2-CD1 3.87Å; V1741-I1777 HydrophobicContact CG2-CG1 3.79Å; A1749-I1777 HydrophobicContact CB-CD1 4.38Å; Y1750-I1777 HydrophobicContact CD2-CG2 3.81Å; Y1750-I1777 HydrophobicContact CG-CG2 4.23Å; L1753-I1777 HydrophobicContact CD1-CD1 4.33Å; L1753-I1777 HydrophobicContact CD2-CG2 4.29Å; I1773-I1777 HydrophobicContact CG2-CD1 4.24Å; I1773-I1777 WeakPolarHBondContact O-CG1 3.43Å; I1773-I1777 PolarHBondContact O-N 2.92Å; L1774-I1777 PolarHBondContact O-N 3.48Å; E1775-I1777 VanDerWaalsContact C-N 3.28Å; E1775-I1777 PolarHBondContact O-N 2.9Å; I1777-K1779 PolarHBondContact O-N 3.16Å; I1777-T1780 PolarHBondContact O-N 2.91Å; I1777-T1780 PolarHBondContact O-OG1 2.93Å; I1777-L1781 HydrophobicContact CG2-CD1 4.19Å; I1777-L1781 PolarHBondContact O-N 3.43Å |
| 1778 | Y | 78.7 | Confident | 67.4 | Low | 44 Ų | 44 | 82.6 Ų | 82.6 | 17% | 0.173 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.5 | -39.7 | -179 | -64.8 | -58 | 0 | 0 | 0 | 112.7 | Y1750 L1753 K1757 L1774 E1775 T1780 L1781 N1782 L1783 | Y1750-Y1778 HydrophobicContact CE2-CE1 4.29Å; L1753-Y1778 HydrophobicContact CD2-CE1 4.21Å; K1757-Y1778 VanDerWaalsContact CE-OH 3.25Å; K1757-Y1778 WeakPolarHBondContact CE-OH 3.09Å; K1757-Y1778 PolarHBondContact NZ-OH 2.72Å; L1774-Y1778 HydrophobicContact CB-CE2 4.27Å; L1774-Y1778 HydrophobicContact CD2-CE2 3.84Å; L1774-Y1778 WeakPolarHBondContact O-CD2 3.26Å; L1774-Y1778 PolarHBondContact O-N 2.72Å; E1775-Y1778 PolarHBondContact O-N 2.84Å; Y1778-T1780 VanDerWaalsContact C-N 3.32Å; Y1778-T1780 PolarHBondContact O-N 2.81Å; Y1778-L1781 PolarHBondContact O-N 3.32Å; Y1778-N1782 PolarHBondContact O-N 2.87Å; Y1778-L1783 HydrophobicContact CD1-CB 4.17Å; Y1778-L1783 HydrophobicContact CD1-CD1 4.34Å; Y1778-L1783 PolarHBondContact O-N 3.2Å |
| 1779 | K | 73.8 | Confident | 65.5 | Low | 142 Ų | 142 | 88.5 Ų | 88.5 | 62% | 0.617 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.2 | -31.1 | 179 | -73.4 | 167.9 | 175.8 | 167.8 | 0 | 112.9 | E1775 I1777 | E1775-K1779 HydrophobicContact CB-CD 4.25Å; E1775-K1779 WeakPolarHBondContact O-CB 3.42Å; E1775-K1779 WeakPolarHBondContact O-CD 3.38Å; E1775-K1779 WeakPolarHBondContact O-CG 3.09Å; E1775-K1779 PolarHBondContact O-N 3.03Å; E1775-K1779 WeakPolarHBondContact OE2-CE 3.47Å; E1775-K1779 IonicContact OE2-NZ 3.46Å; E1775-K1779 PolarHBondContact OE2-NZ 2.58Å; I1777-K1779 PolarHBondContact O-N 3.16Å |
| 1780 | T | 70.5 | Confident | 63.2 | Low | 67 Ų | 67 | 93.4 Ų | 93.4 | 41% | 0.411 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -82.3 | -13.6 | 178.7 | 47.7 | 0 | 0 | 0 | 0 | 113.7 | Y1746 K1776 I1777 Y1778 | Y1746-T1780 HydrophobicContact CD1-CG2 4.16Å; Y1746-T1780 HydrophobicContact CD2-CG2 4.26Å; Y1746-T1780 HydrophobicContact CE1-CG2 4.29Å; Y1746-T1780 HydrophobicContact CE2-CG2 4.38Å; Y1746-T1780 HydrophobicContact CG-CG2 4.17Å; K1776-T1780 VanDerWaalsContact O-CG2 3.3Å; K1776-T1780 WeakPolarHBondContact O-CG2 3.37Å; K1776-T1780 PolarHBondContact O-N 3.05Å; K1776-T1780 PolarHBondContact O-OG1 3.46Å; I1777-T1780 PolarHBondContact O-N 2.91Å; I1777-T1780 PolarHBondContact O-OG1 2.93Å; Y1778-T1780 VanDerWaalsContact C-N 3.32Å; Y1778-T1780 PolarHBondContact O-N 2.81Å |
| 1781 | L | 72.3 | Confident | 61 | Low | 48 Ų | 48 | 95.9 Ų | 95.9 | 25% | 0.251 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -115.3 | 6.2 | -176.2 | -66.4 | 173.6 | 0 | 0 | 0 | 114.7 | K1747 Y1750 I1777 Y1778 L1783 | K1747-L1781 HydrophobicContact CG-CD2 4.15Å; Y1750-L1781 HydrophobicContact CD1-CD1 3.66Å; Y1750-L1781 HydrophobicContact CD2-CD1 3.97Å; Y1750-L1781 HydrophobicContact CE1-CD1 4.5Å; Y1750-L1781 HydrophobicContact CG-CD1 3.35Å; I1777-L1781 HydrophobicContact CG2-CD1 4.19Å; I1777-L1781 PolarHBondContact O-N 3.43Å; Y1778-L1781 PolarHBondContact O-N 3.32Å; L1781-L1783 VanDerWaalsContact C-N 3.29Å; L1781-L1783 HydrophobicContact CB-CD1 3.95Å; L1781-L1783 HydrophobicContact CB-CG 4.3Å; L1781-L1783 PolarHBondContact O-N 3.2Å |
| 1782 | N | 67.7 | Low | 58.8 | Low | 157 Ų | 157 | 97.1 Ų | 97.1 | 84% | 0.84 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 37.1 | 178.8 | -63.6 | -32.8 | 0 | 0 | 0 | 114.2 | Y1778 | Y1778-N1782 PolarHBondContact O-N 2.87Š|
| 1783 | L | 60.5 | Low | 56.5 | Low | 70 Ų | 70 | 96.7 Ų | 96.7 | 37% | 0.366 | 50% | 0.504 | S | S | . | . | trans | -97.2 | 143 | 178.7 | -68.6 | 163.1 | 0 | 0 | 0 | 110.9 | Y1750 Y1778 L1781 S1785 | Y1750-L1783 HydrophobicContact CD2-CD1 4.23Å; Y1750-L1783 HydrophobicContact CE1-CD1 3.83Å; Y1750-L1783 HydrophobicContact CE2-CD1 3.5Å; Y1750-L1783 WeakPolarHBondContact OH-CD1 3.43Å; Y1778-L1783 HydrophobicContact CD1-CB 4.17Å; Y1778-L1783 HydrophobicContact CD1-CD1 4.34Å; Y1778-L1783 PolarHBondContact O-N 3.2Å; L1781-L1783 VanDerWaalsContact C-N 3.29Å; L1781-L1783 HydrophobicContact CB-CD1 3.95Å; L1781-L1783 HydrophobicContact CB-CG 4.3Å; L1781-L1783 PolarHBondContact O-N 3.2Å; L1783-S1785 PolarHBondContact O-N 2.92Å | ||
| 1784 | T | 49.2 | Very low | 54.1 | Low | 133 Ų | 133 | 104.1 Ų | 104.1 | 82% | 0.816 | 54% | 0.538 | S | S | * | . | trans | -71.8 | 108.9 | 179.1 | 48.2 | 0 | 0 | 0 | 0 | 111.1 | I1786 | T1784-I1786 PolarHBondContact O-N 3.41Š| ||
| 1785 | S | 50.5 | Low | 51.9 | Low | 89 Ų | 89 | 111 Ų | 111 | 62% | 0.622 | 58% | 0.581 | S | S | * | * | trans | -64.2 | 123.9 | 172.6 | 50.5 | 0 | 0 | 0 | 0 | 111.4 | L1783 | L1783-S1785 PolarHBondContact O-N 2.92Š| ||
| 1786 | I | 47.1 | Very low | 49.6 | Very low | 119 Ų | 119 | 118.3 Ų | 118.3 | 61% | 0.61 | 61% | 0.605 | S | S | * | * | trans | -84.3 | 119.1 | 175.5 | -57.4 | 174.5 | 0 | 0 | 0 | 108.8 | T1784 Y1788 | T1784-I1786 PolarHBondContact O-N 3.41Å; I1786-Y1788 HydrophobicContact CB-CD2 4.06Å; I1786-Y1788 HydrophobicContact CB-CE2 3.83Å; I1786-Y1788 HydrophobicContact CD1-CE2 4.46Å; I1786-Y1788 HydrophobicContact CG2-CD2 3.73Å; I1786-Y1788 HydrophobicContact CG2-CE2 3.5Å; I1786-Y1788 VanDerWaalsContact CG2-CE2 3.5Å; I1786-Y1788 PolarHBondContact O-N 3.19Å | ||
| 1787 | E | 39.7 | Very low | 47.4 | Very low | 152 Ų | 152 | 121.4 Ų | 121.4 | 71% | 0.71 | 63% | 0.626 | S | S | * | * | trans | -72.5 | 87.7 | 174.8 | -73.2 | -168.9 | -173.2 | 0 | 0 | 111.5 | K1789 | E1787-K1789 PolarHBondContact O-N 2.72Å; E1787-K1789 VanDerWaalsContact OE2-CE 3.3Å; E1787-K1789 WeakPolarHBondContact OE2-CE 3.49Å; E1787-K1789 IonicContact OE2-NZ 3.26Å; E1787-K1789 PolarHBondContact OE2-NZ 2.79Å | ||
| 1788 | Y | 41.9 | Very low | 45 | Very low | 120 Ų | 120 | 129 Ų | 129 | 47% | 0.471 | 66% | 0.662 | S | S | . | * | trans | -75.2 | 84.7 | 168.7 | -79.1 | -90.6 | 0 | 0 | 0 | 111 | N1763 I1786 C1790 | N1763-Y1788 PolarHBondContact OD1-OH 2.76Å; I1786-Y1788 HydrophobicContact CB-CD2 4.06Å; I1786-Y1788 HydrophobicContact CB-CE2 3.83Å; I1786-Y1788 HydrophobicContact CD1-CE2 4.46Å; I1786-Y1788 HydrophobicContact CG2-CD2 3.73Å; I1786-Y1788 HydrophobicContact CG2-CE2 3.5Å; I1786-Y1788 VanDerWaalsContact CG2-CE2 3.5Å; I1786-Y1788 PolarHBondContact O-N 3.19Å; Y1788-C1790 PolarHBondContact O-N 3.38Å; Y1788-C1790 VanDerWaalsContact O-N 3.09Å | ||
| 1789 | K | 35 | Very low | 42.6 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 70% | 0.704 | 69% | 0.693 | S | S | * | * | trans | -71.1 | 101.4 | 170.5 | -74.2 | -178.8 | -178.9 | 165.9 | 0 | 110.3 | E1787 T1791 | E1787-K1789 PolarHBondContact O-N 2.72Å; E1787-K1789 VanDerWaalsContact OE2-CE 3.3Å; E1787-K1789 WeakPolarHBondContact OE2-CE 3.49Å; E1787-K1789 IonicContact OE2-NZ 3.26Å; E1787-K1789 PolarHBondContact OE2-NZ 2.79Å; K1789-T1791 PolarHBondContact O-N 3.46Å; K1789-T1791 VanDerWaalsContact O-N 3.14Å | ||
| 1790 | C | 28.8 | Very low | 40.4 | Very low | 106 Ų | 106 | 136 Ų | 136 | 72% | 0.716 | 71% | 0.709 | S | S | * | * | trans | -77.9 | 92.5 | 177.7 | -163.5 | 0 | 0 | 0 | 0 | 110.5 | Y1788 L1792 | Y1788-C1790 PolarHBondContact O-N 3.38Å; Y1788-C1790 VanDerWaalsContact O-N 3.09Å; C1790-L1792 VanDerWaalsContact C-N 3.34Å; C1790-L1792 PolarHBondContact O-N 2.69Å; C1790-L1792 VanDerWaalsContact O-N 3.14Å | ||
| 1791 | T | 29.8 | Very low | 38.4 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 83% | 0.834 | 72% | 0.72 | S | S | * | * | trans | -82.5 | 80.1 | 171.3 | 53.3 | 0 | 0 | 0 | 0 | 110.2 | K1789 | K1789-T1791 PolarHBondContact O-N 3.46Å; K1789-T1791 VanDerWaalsContact O-N 3.14Å | ||
| 1792 | L | 29.1 | Very low | 36.3 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | -92.3 | 100.9 | 158.9 | -77.8 | 160.5 | 0 | 0 | 0 | 107.3 | C1790 | C1790-L1792 VanDerWaalsContact C-N 3.34Å; C1790-L1792 PolarHBondContact O-N 2.69Å; C1790-L1792 VanDerWaalsContact O-N 3.14Å | ||
| 1793 | D | 29.4 | Very low | 34.5 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | trans | 172 | 170 | 151.9 | -93.3 | -28.1 | 0 | 0 | 0 | 110.8 | ||||
| 1794 | E | 28.3 | Very low | 33.1 | Very low | 177 Ų | 177 | 140.8 Ų | 140.8 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | 61.6 | 80.4 | 164.7 | -68.3 | -179.7 | 174.9 | 0 | 0 | 119.3 | ||||
| 1795 | T | 29.1 | Very low | 32.1 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 92% | 0.92 | 76% | 0.758 | S | S | * | * | trans | -121.1 | 64.3 | 135.6 | 44.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1796 | R | 27.9 | Very low | 31 | Very low | 223 Ų | 223 | 143.3 Ų | 143.3 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | trans | -91 | 113.8 | 160.6 | -80.2 | 178 | 167.2 | 167.4 | -4.9 | 108.8 | ||||
| 1797 | N | 27.8 | Very low | 30.3 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -98 | 113.4 | 147.4 | -69.5 | 12.4 | 0 | 0 | 0 | 105 | ||||
| 1798 | E | 27.3 | Very low | 29.8 | Very low | 161 Ų | 161 | 148.7 Ų | 148.7 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | 64.6 | 80.3 | 71.5 | -64.7 | -168.5 | 155 | 0 | 0 | 112.1 | |||||
| 1799 | N | 29.5 | Very low | 29.1 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | -178.3 | 71.8 | 121.3 | -89.5 | -49.4 | 0 | 0 | 0 | 111.3 | |||||
| 1800 | D | 27.5 | Very low | 28.8 | Very low | 175 Ų | 175 | 145.3 Ų | 145.3 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | trans | -78.5 | 123.1 | 149.9 | -82.5 | -55 | 0 | 0 | 0 | 107.7 | ||||
| 1801 | A | 28.9 | Very low | 28.7 | Very low | 79 Ų | 79 | 148.8 Ų | 148.8 | 65% | 0.653 | 80% | 0.8 | S | S | * | * | trans | -155.8 | 116.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1802 | S | 27.9 | Very low | 28.8 | Very low | 106 Ų | 106 | 149.2 Ų | 149.2 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | 60.1 | 142.8 | 168.2 | 63.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1803 | D | 29.9 | Very low | 28.8 | Very low | 156 Ų | 156 | 149.8 Ų | 149.8 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | cis | -155.9 | 153.4 | -19.1 | -107.3 | -36 | 0 | 0 | 0 | 109.9 | ||||
| 1804 | S | 29.3 | Very low | 28.8 | Very low | 102 Ų | 102 | 145.7 Ų | 145.7 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | -92 | 154.7 | 168.6 | 68 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1805 | P | 30.1 | Very low | 28.7 | Very low | 120 Ų | 120 | 144.5 Ų | 144.5 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | -142.4 | 169.1 | 108.6 | 39 | -27.6 | 0 | 0 | 0 | 114.8 | |||||
| 1806 | L | 27.3 | Very low | 28.8 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -68 | 155.8 | 165.9 | -46.7 | 87 | 0 | 0 | 0 | 110.7 | ||||
| 1807 | Y | 32.2 | Very low | 28.8 | Very low | 210 Ų | 210 | 137.2 Ų | 137.2 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | -158.5 | 168 | 128.6 | -115.9 | -79 | 0 | 0 | 0 | 111.4 | |||||
| 1808 | E | 27.9 | Very low | 28.8 | Very low | 173 Ų | 173 | 136.2 Ų | 136.2 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | trans | -52.5 | 160.2 | -178.5 | -61.8 | 140.7 | 179.8 | 0 | 0 | 114.3 | ||||
| 1809 | G | 28.4 | Very low | 28.9 | Very low | 62 Ų | 62 | 136.7 Ų | 136.7 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | cis | 141.4 | 150.5 | 2.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1810 | N | 27.6 | Very low | 28.9 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | 67.5 | 125.3 | 175.7 | -54.4 | -9.6 | 0 | 0 | 0 | 114.6 | ||||
| 1811 | E | 27.6 | Very low | 29 | Very low | 179 Ų | 179 | 132.5 Ų | 132.5 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | 60.7 | 113.9 | 70.6 | -66 | -174.1 | 168.7 | 0 | 0 | 114.3 | |||||
| 1812 | V | 32.7 | Very low | 29.1 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | -174 | 139.1 | 124.4 | 143.2 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1813 | D | 28.3 | Very low | 29.5 | Very low | 157 Ų | 157 | 145 Ų | 145 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -75.3 | 158.3 | 179.7 | -53.5 | -91.3 | 0 | 0 | 0 | 114.5 | ||||
| 1814 | G | 30.1 | Very low | 29.4 | Very low | 70 Ų | 70 | 144.4 Ų | 144.4 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 165.6 | 74.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1815 | N | 26.5 | Very low | 29.4 | Very low | 153 Ų | 153 | 146.6 Ų | 146.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | 61.6 | 129.8 | 58.4 | -120.1 | -2.1 | 0 | 0 | 0 | 112 | |||||
| 1816 | V | 29.7 | Very low | 29.4 | Very low | 136 Ų | 136 | 148.1 Ų | 148.1 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | 72.7 | 127.3 | -179.1 | -172.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1817 | S | 28.9 | Very low | 29.5 | Very low | 84 Ų | 84 | 147.7 Ų | 147.7 | 59% | 0.587 | 79% | 0.789 | S | S | * | * | cis | -165 | 159.5 | -16.9 | 53.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1818 | D | 27.9 | Very low | 29.4 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | 28.8 | 136 | 128.8 | -45 | -29.8 | 0 | 0 | 0 | 120.7 | |||||
| 1819 | E | 29.1 | Very low | 29.5 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 62.7 | 110.1 | 138.3 | -66 | 173.2 | -167.8 | 0 | 0 | 117.3 | ||||
| 1820 | T | 28.4 | Very low | 29.5 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 68% | 0.681 | 80% | 0.796 | S | S | * | * | 178.7 | 168.9 | 67 | 33.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1821 | N | 30.5 | Very low | 29.7 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | trans | 82.3 | 108.6 | 160.3 | -43.5 | -51.7 | 0 | 0 | 0 | 118.3 | ||||
| 1822 | D | 30.5 | Very low | 29.9 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | 63.1 | 87.6 | 137.2 | -47.1 | -18.7 | 0 | 0 | 0 | 119.8 | ||||
| 1823 | Y | 36 | Very low | 29.6 | Very low | 307 Ų | 307 | 144.7 Ų | 144.7 | 100% | 1.204 | 79% | 0.785 | S | S | * | * | -165.4 | 0 | 109.1 | -104.4 | -69.1 | 0 | 0 | 0 | 112.5 |
Retrieved 1,823 of 1,823 residues in 2364 ms
(Link to these results)